Mercurial > repos > galaxyp > maxquant
changeset 1:8bac3cc5c5de draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit ab4e4f1817080cbe8a031a82cb180610ff140847
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--- a/LICENSE Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,11 +0,0 @@ ---2012-09-19 08:46:18-- http://www.apache.org/licenses/LICENSE-2.0.txt -Resolving www.apache.org... 140.211.11.131, 192.87.106.229, 2001:610:1:80bc:192:87:106:229 -Connecting to www.apache.org|140.211.11.131|:80... connected. -HTTP request sent, awaiting response... 200 OK -Length: 11358 (11K) [text/plain] -Saving to: “LICENSE-2.0.txt” - - 0K .......... . 100% 200K=0.06s - -2012-09-19 08:46:18 (200 KB/s) - “LICENSE-2.0.txt” saved [11358/11358] -
--- a/README.md Fri May 10 17:22:51 2013 -0400 +++ b/README.md Sat Jul 20 05:01:05 2019 -0400 @@ -1,34 +1,27 @@ -Tool wrapper for MaxQuant. +GalaxyP - MaxQuant +================== -MaxQuant is a Windows only program and so you will likely need to -deploy this tool to run on a remote Windows system via the LWR -(https://lwr.readthedocs.org). +* Home: <https://github.com/galaxyproteomics/tools-galaxyp/> +* Tool ID: `maxquant` +* Tool Type: `default` -The sample mods file maxquant_mods.loc.sample corresponds to the -default modifications MaxQuant is configured with. The Galaxy-P -project uses a MaxQuant that has been extended with all of Unimod. To -modify MaxQuant in this fashion replace MaxQuant's modifications.xml -file with the extended_modifications.xml distributed with this tool -and configure Galaxy with the maxquant_mods.loc.sample.extended loc -file.# Obtaining Tools -Repositories for all Galaxy-P tools can be found at -https:/bitbucket.org/galaxyp/. +Description +----------- + +Wrapper for the MaxQuant version available in conda. + -# Contact - -Please send suggestions for improvements and bug reports to -jmchilton@gmail.com. - -# License +Updating +-------- -All Galaxy-P tools are licensed under the Apache License Version 2.0 -unless otherwise documented. - -# Tool Versioning +MaxQuant often changes the layout of its parameters file. +So changes to the code are likely to be necessary when +updating to a new version of MaxQuant. The init.py script +can be used to initialize the tool with a new list of +modifications or enzymes. From the tool dir run: -Galaxy-P tools will have versions of the form X.Y.Z. Versions -differing only after the second decimal should be completely -compatible with each other. Breaking changes should result in an -increment of the number before and/or after the first decimal. All -tools of version less than 1.0.0 should be considered beta. +./init.py -m MODIFICATIONS.XML -e ENZYMES.XML + +The location of these xml files usually is: +ANACONDA_DIR/bin/conf/ \ No newline at end of file
--- a/README_GALAXYP.md Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,22 +0,0 @@ -# Obtaining Tools - -Repositories for all Galaxy-P tools can be found at -https:/bitbucket.org/galaxyp/. - -# Contact - -Please send suggestions for improvements and bug reports to -jmchilton@gmail.com. - -# License - -All Galaxy-P tools are licensed under the Apache License Version 2.0 -unless otherwise documented. - -# Tool Versioning - -Galaxy-P tools will have versions of the form X.Y.Z. Versions -differing only after the second decimal should be completely -compatible with each other. Breaking changes should result in an -increment of the number before and/or after the first decimal. All -tools of version less than 1.0.0 should be considered beta.
--- a/README_REPO.md Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,13 +0,0 @@ -Tool wrapper for MaxQuant. - -MaxQuant is a Windows only program and so you will likely need to -deploy this tool to run on a remote Windows system via the LWR -(https://lwr.readthedocs.org). - -The sample mods file maxquant_mods.loc.sample corresponds to the -default modifications MaxQuant is configured with. The Galaxy-P -project uses a MaxQuant that has been extended with all of Unimod. To -modify MaxQuant in this fashion replace MaxQuant's modifications.xml -file with the extended_modifications.xml distributed with this tool -and configure Galaxy with the maxquant_mods.loc.sample.extended loc -file. \ No newline at end of file
--- a/augment_maxquant_mods.py Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,166 +0,0 @@ -#!/usr/bin/env python -""" -Usage: - python augment_maxquant_mods.py - -Assuming Unimod XML file (unimod.xml) and stock MaxQuant modifications -file (modifications.xml) are in this same directory, this script will -create a new MaxQuant modifications file (extended_modifications.xml) -with an a new modification for each unimod entry. These new entires -will be suffixed with [Unimod] to distinguish them from existing -MaxQuant entries. This file should be copied to -<MaxQuant Path>\bin\conf\modifications.xml - -""" -import xml.etree.ElementTree as ET -import re - -FAKE_DATE = "2012-06-11T21:21:24.4946343+02:00" - -POSITION_MAP = { - "Anywhere": "anywhere", - "Any N-term": "anyNterm", - "Any C-term": "anyCterm", - "Protein N-term": "proteinNterm", - "Protein C-term": "proteinCterm", -} - -unimod_tree = ET.parse('unimod.xml') -unimod_ns = '{http://www.unimod.org/xmlns/schema/unimod_2}' -unimod_modifications_el = unimod_tree.getroot().find('%smodifications' % unimod_ns) -mq_tree = ET.parse("modifications.xml") -mq_root = mq_tree.getroot() - - -def to_label(title, site): - return "%s (%s) [Unimod]" % (title, site) - - -def copy_modification(unimod_modification): - if unimod_modification.hidden: - return False - if unimod_modification.delta_el is None: - return False - comp_array = unimod_modification.composition_array - for aa, count in comp_array: - if len(aa) > 1 and aa not in COMP_REPLACES.keys(): - # Complex stuff like Hep, that I cannot translate into MaxQuant. - return False - return True - - -COMP_REPLACES = { - "15N": "Nx", - "13C": "Cx", - "18O": "Ox", - "2H": "Hx", -} - -## HEP? - - -def convert_composition(unimod_composition): - """ - Convert Unimod representation of composition to MaxQuant - """ - composition = unimod_composition - for key, value in COMP_REPLACES.iteritems(): - composition = composition.replace(key, value) - print composition - return composition - - -def populate_modification(modification, unimod_modification): - """ - Copy unimod entry ``unimod_modification`` to MaxQuant entry ``modification``. - """ - attrib = modification.attrib - attrib["create_date"] = FAKE_DATE - attrib["last_modified_date"] = FAKE_DATE - attrib["reporterCorrectionM1"] = str(0) - attrib["reporterCorrectionM2"] = str(0) - attrib["reporterCorrectionP1"] = str(0) - attrib["reporterCorrectionP2"] = str(0) - attrib["user"] = "build_mods_script" - label = unimod_modification.label - attrib["title"] = label - attrib["description"] = label - attrib["composition"] = convert_composition(unimod_modification.raw_composition) - unimod_position = unimod_modification.position - maxquant_position = POSITION_MAP[unimod_position] - assert maxquant_position != None - position_el = ET.SubElement(modification, "position") - position_el.text = maxquant_position - modification_site_el = ET.SubElement(modification, "modification_site") - modification_site_el.attrib["index"] = "0" - unimod_site = unimod_modification.site - modification_site_el.attrib["site"] = "-" if len(unimod_site) > 1 else unimod_site - type_el = ET.SubElement(modification, "type") - type_el.text = "standard" - return modification - - -class UnimodModification: - - def __init__(self, modification, specificity): - self.modification = modification - self.specificity = specificity - - @property - def title(self): - return self.modification.attrib["title"] - - @property - def site(self): - return self.specificity.attrib["site"] - - @property - def label(self): - return "%s (%s) [Unimod]" % (self.title, self.site) - - @property - def delta_el(self): - return self.modification.find("%sdelta" % unimod_ns) - - @property - def raw_composition(self): - return self.delta_el.attrib["composition"] - - @property - def composition_array(self): - raw_composition = self.raw_composition - aa_and_counts = re.split("\s+", raw_composition) - comp_array = [] - for aa_and_count in aa_and_counts: - match = re.match(r"(\w+)(\((-?\d+)\))?", aa_and_count) - aa = match.group(1) - count = match.group(3) or 1 - comp_array.append((aa, count)) - return comp_array - - @property - def position(self): - return self.specificity.attrib["position"] - - @property - def hidden(self): - return self.specificity.attrib["hidden"] == "true" - -unimod_modifications = [] -for mod in unimod_modifications_el.findall('%smod' % unimod_ns): - for specificity in mod.findall('%sspecificity' % unimod_ns): - unimod_modifications.append(UnimodModification(mod, specificity)) - -max_index = 0 -for modification in mq_root.getchildren(): - index = int(modification.attrib["index"]) - max_index = max(max_index, index) - -for unimod_modification in unimod_modifications: - if copy_modification(unimod_modification): - print unimod_modification.composition_array - max_index += 1 - modification = ET.SubElement(mq_root, "modification", attrib={"index": str(max_index)}) - populate_modification(modification, unimod_modification) - -mq_tree.write("extended_modifications.xml")
--- a/build_mods_loc.py Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,17 +0,0 @@ -#!/usr/bin/env python - -import xml.etree.ElementTree as ET -from os.path import exists - -mods_path = "extended_modifications.xml" - -if not exists(mods_path): - mods_path = "modifications.xml" - -tree = ET.parse(mods_path) -modifications_el = tree.getroot() - -with open("maxquant_mods.loc", "w") as output: - for mod in modifications_el.getchildren(): - if mod.find("type").text.strip() == "standard": - output.write("%s\n" % mod.attrib["title"])
--- a/build_proteases_loc.py Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,14 +0,0 @@ -#!/usr/bin/env python - -import xml.etree.ElementTree as ET -from os.path import exists - -proteases_path = "proteases.xml" - -tree = ET.parse(proteases_path) -proteases_el = tree.getroot() - -with open("maxquant_proteases.loc", "w") as output: - for protease in proteases_el.getchildren(): - output.write("%s\n" % protease.attrib["name"]) -
--- a/extended_modifications.xml Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,2579 +0,0 @@ -<modifications> - <modification composition="C(2) H(2) O" create_date="2010-01-19T13:25:24.82357+01:00" description="Acetylation" index="0" last_modified_date="2010-01-19T14:15:40.2445414+01:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Acetyl (K)" user="neuhause"> - <position>notCterm</position> - <modification_site index="0" site="K"> - <diagnostic_collection> - <diagnostic composition="C(7) H(11) O N" name="acK*" shortname="acK*" /> - <diagnostic composition="C(7) H(14) O N(2)" name="acK" shortname="acK" /> - </diagnostic_collection> - </modification_site> - <type>standard</type> - </modification> - <modification composition="C(2) H(2) O" create_date="2010-01-19T14:27:34.5843488+01:00" description="Acetylation" index="1" last_modified_date="2010-01-19T14:28:09.7383488+01:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Acetyl (Protein N-term)" user="neuhause"> - <position>proteinNterm</position> - <modification_site index="0" site="-" /> - <type>standard</type> - </modification> - <modification composition="C(2) H(3) N O" create_date="2010-01-19T15:54:02.1976309+01:00" description="Iodoacetamide derivative" index="2" last_modified_date="2010-01-19T15:55:13.1353165+01:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carbamidomethyl (C)" user="neuhause"> - <position>anywhere</position> - <modification_site index="0" site="C" /> - <type>standard</type> - </modification> - <modification composition="O " create_date="2010-01-19T14:29:05.2191728+01:00" description="Oxidation" index="3" last_modified_date="2010-01-19T20:38:21.9609829+01:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Oxidation (M)" user="neuhause"> - <position>anywhere</position> - <modification_site index="0" site="M" /> - <type>standard</type> - </modification> - <modification composition="H O(3) P" create_date="2010-01-19T14:34:50.0721008+01:00" description="Phosphorylation" index="4" last_modified_date="2010-01-19T20:39:28.1471599+01:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phospho (STY)" user="neuhause"> - <position>anywhere</position> - <modification_site index="0" site="S"> - <neutralloss_collection> - <neutralloss composition="H(3) O(4) P" name="H(3) O(4) P" shortname="H3 O4 P" /> - </neutralloss_collection> - </modification_site> - <modification_site index="1" site="T"> - <neutralloss_collection> - <neutralloss composition="H(3) O(4) P" name="H(3) O(4) P" shortname="H3 O4 P" /> - </neutralloss_collection> - </modification_site> - <modification_site index="2" site="Y"> - <diagnostic_collection> - <diagnostic composition="C(8) H(10) O(4) N P" name="C(8) H(10) O(4) N P" shortname="pY" /> - </diagnostic_collection> - </modification_site> - <type>standard</type> - </modification> - <modification composition="Cx(6) C(-6)" create_date="2010-01-19T14:37:21.2757206+01:00" description="Arginine-13C6 (R-13C6)" index="5" last_modified_date="2010-01-23T19:17:45.328125+01:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg6" user="cox"> - <position>anywhere</position> - <modification_site index="0" site="R" /> - <type>label</type> - </modification> - <modification composition="Cx(6) Nx(4) C(-6) N(-4)" create_date="2010-01-19T14:38:45.7906712+01:00" description="Arginine-13C615N4 (R-full)" index="6" last_modified_date="2010-01-23T19:20:04+01:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg10" user="cox"> - <position>anywhere</position> - <modification_site index="0" site="R" /> - <type>label</type> - </modification> - <modification composition="Hx(4) H(-4)" create_date="2010-01-19T14:39:50.1480962+01:00" description="Lysine (D4)" index="7" last_modified_date="2010-01-23T19:22:08.375+01:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lys4" user="cox"> - <position>anywhere</position> - <modification_site index="0" site="K" /> - <type>label</type> - </modification> - <modification composition="Cx(6) C(-6)" create_date="2010-01-19T14:42:22.773705+01:00" description="Lysine-13C6 (K-13C6)" index="8" last_modified_date="2010-01-23T19:25:07.34375+01:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lys6" user="cox"> - <position>anywhere</position> - <modification_site index="0" site="K" /> - <type>label</type> - </modification> - <modification composition="Cx(6) Nx(2) C(-6) N(-2)" create_date="2010-01-19T14:44:14.7503042+01:00" description="Lysine-13C615N2 (K-full)" index="9" last_modified_date="2010-01-23T19:25:47.796875+01:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lys8" user="cox"> - <position>anywhere</position> - <modification_site index="0" site="K" /> - <type>label</type> - </modification> - <modification composition="H(6) C(4) N(2) O(2)" create_date="2010-01-30T11:41:51.59375+01:00" description="Ubiquitination residue" index="10" last_modified_date="2010-01-30T11:59:58.203125+01:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GlyGly (K)" user="cox"> - <position>anywhere</position> - <modification_site index="0" site="K" /> - <type>standard</type> - </modification> - <modification composition="C H(2)" create_date="2010-01-30T11:47:06.328125+01:00" description="Methylation" index="11" last_modified_date="2010-01-30T11:59:44.75+01:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (KR)" user="cox"> - <position>anywhere</position> - <modification_site index="0" site="K" /> - <modification_site index="1" site="R" /> - <type>standard</type> - </modification> - <modification composition="H(4) C(2)" create_date="2010-01-30T11:55:54.40625+01:00" description="di-Methylation" index="12" last_modified_date="2010-01-30T11:58:44.5+01:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dimethyl (KR)" user="cox"> - <position>anywhere</position> - <modification_site index="0" site="K" /> - <modification_site index="1" site="R" /> - <type>standard</type> - </modification> - <modification composition="C(3) H(6)" create_date="2010-01-30T12:01:50.9375+01:00" description="tri-Methylation" index="13" last_modified_date="2010-01-30T12:02:36.46875+01:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Trimethyl (K)" user="cox"> - <position>anywhere</position> - <modification_site index="0" site="K" /> - <type>standard</type> - </modification> - <modification composition="Cx(5) C(-5)" create_date="2010-04-12T13:32:35.6382482+02:00" description="Proline-13C5" index="14" last_modified_date="2010-04-12T13:33:43.0174538+02:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pro5" user="cox"> - <position>anywhere</position> - <modification_site index="0" site="P" /> - <type>standard</type> - </modification> - <modification composition="Cx(5) Nx C(-5) N(-1)" create_date="2010-04-12T13:32:37.3731338+02:00" description="Proline-13C515N1" index="15" last_modified_date="2010-04-12T13:35:25.9109714+02:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pro6" user="cox"> - <position>anywhere</position> - <modification_site index="0" site="P" /> - <type>standard</type> - </modification> - <modification composition="H(-2) O(-1)" create_date="2010-04-12T13:36:20.7736754+02:00" description="Pyro-glu from E" index="16" last_modified_date="2010-04-12T13:39:21.3356434+02:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glu->pyro-Glu" user="cox"> - <position>anyNterm</position> - <modification_site index="0" site="E" /> - <type>standard</type> - </modification> - <modification composition="H(-3) N(-1)" create_date="2010-04-12T13:41:10.9786904+02:00" description="Pyro-glu from Q" index="17" last_modified_date="2010-04-12T13:42:18.7807628+02:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gln->pyro-Glu" user="cox"> - <position>anyNterm</position> - <modification_site index="0" site="Q" /> - <type>standard</type> - </modification> - <modification composition="H(13) C(8) N O(5)" create_date="2010-08-30T11:16:56.4953002+02:00" description="OHexNAc" index="18" last_modified_date="2010-08-30T11:18:07.2093037+02:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="OHexNAc" user="neuhause"> - <position>anywhere</position> - <modification_site index="1" site="T"> - <neutralloss_collection> - <neutralloss composition="H(13) C(8) N O(5)" name="OHexNAc" shortname="H13 C8 N O5" /> - </neutralloss_collection> - <diagnostic_collection> - <diagnostic composition="H(14) C(8) N O(5)" name="OHexNAc" shortname="H14 C8 N O5" /> - </diagnostic_collection> - </modification_site> - <modification_site index="0" site="S"> - <neutralloss_collection> - <neutralloss composition="H(13) C(8) N O(5)" name="OHexNAc" shortname="H13 C8 N O5" /> - </neutralloss_collection> - <diagnostic_collection> - <diagnostic composition="H(13) C(8) N O(5)" name="OHexNAc" shortname="H13 C8 N O5" /> - </diagnostic_collection> - </modification_site> - <type>standard</type> - </modification> - <modification composition="H(4) C(2)" create_date="2010-09-10T22:58:36.5625+02:00" description="Lysine dimethyl light" index="19" last_modified_date="2010-09-10T23:01:25.234375+02:00" multi_modification="false" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DimethLys0" user="cox"> - <position>anywhere</position> - <modification_site 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composition="H(3) C(2) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carbamidomethyl (D) [Unimod]" index="482" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carbamidomethyl (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(3) C(2) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carbamidomethyl (H) [Unimod]" index="483" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carbamidomethyl (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(3) C(2) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carbamidomethyl (N-term) [Unimod]" index="484" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carbamidomethyl (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(3) C(2) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carbamidomethyl (K) [Unimod]" index="485" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carbamidomethyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(3) C(2) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carbamidomethyl (C) [Unimod]" index="486" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carbamidomethyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(3) C(2) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carbamidomethyl (E) [Unimod]" index="487" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carbamidomethyl (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H C N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carbamyl (C) [Unimod]" index="488" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carbamyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H C N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carbamyl (R) [Unimod]" index="489" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carbamyl (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H C N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carbamyl (N-term) [Unimod]" index="490" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carbamyl (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H C N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carbamyl (K) [Unimod]" index="491" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carbamyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H C N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carbamyl (M) [Unimod]" index="492" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carbamyl (M) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="H(2) C(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carboxymethyl (N-term) [Unimod]" index="493" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carboxymethyl (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(2) C(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carboxymethyl (K) [Unimod]" index="494" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carboxymethyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(2) C(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carboxymethyl (C) [Unimod]" index="495" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carboxymethyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(2) C(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carboxymethyl (W) [Unimod]" index="496" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carboxymethyl (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H(-1) N(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Deamidated (R) [Unimod]" index="497" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Deamidated (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(-1) N(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Deamidated (N) [Unimod]" index="498" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Deamidated (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(-1) N(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Deamidated (Q) [Unimod]" index="499" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Deamidated (Q) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(-1) N(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Deamidated (F) [Unimod]" index="500" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Deamidated (F) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="F" /><type>standard</type></modification><modification composition="H(38) C(22) N(4) O(6) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICAT-G (C) [Unimod]" index="501" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICAT-G (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(30) Hx(8) C(22) N(4) O(6) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICAT-G:2H(8) (C) [Unimod]" index="502" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICAT-G:2H(8) (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-2) C(-1) O S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Met->Hse (M) [Unimod]" index="503" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Met->Hse (M) [Unimod]" user="build_mods_script"><position>anyCterm</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="H(-4) C(-1) S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Met->Hsl (M) [Unimod]" index="504" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Met->Hsl (M) [Unimod]" user="build_mods_script"><position>anyCterm</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="H(26) Hx(8) C(20) N(4) O(5) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICAT-D:2H(8) (C) [Unimod]" index="505" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICAT-D:2H(8) (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(34) C(20) N(4) O(5) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICAT-D (C) [Unimod]" index="506" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICAT-D (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(9) C(5) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="NIPCAM (C) [Unimod]" index="507" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NIPCAM (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(30) C(18) N(4) O(5) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="PEO-Iodoacetyl-LC-Biotin (C) [Unimod]" index="508" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="PEO-Iodoacetyl-LC-Biotin (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phospho (R) [Unimod]" index="509" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phospho (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phospho (C) [Unimod]" index="510" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phospho (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phospho (D) [Unimod]" index="511" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phospho (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phospho (Y) [Unimod]" index="512" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phospho (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phospho (H) [Unimod]" index="513" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phospho (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phospho (T) [Unimod]" index="514" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phospho (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phospho (S) [Unimod]" index="515" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phospho (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(-2) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dehydrated (D) [Unimod]" index="516" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dehydrated (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(-2) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dehydrated (Y) [Unimod]" index="517" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dehydrated (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(-2) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dehydrated (T) [Unimod]" index="518" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dehydrated (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(-2) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dehydrated (S) [Unimod]" index="519" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dehydrated (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(-2) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dehydrated (N) [Unimod]" index="520" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dehydrated (N) [Unimod]" user="build_mods_script"><position>proteinCterm</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(-2) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dehydrated (Q) [Unimod]" index="521" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dehydrated (Q) [Unimod]" user="build_mods_script"><position>proteinCterm</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(-2) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dehydrated (C) [Unimod]" index="522" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dehydrated (C) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(5) C(3) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Propionamide (C) [Unimod]" index="523" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Propionamide (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(5) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Pyridylacetyl (N-term) [Unimod]" index="524" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pyridylacetyl (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(5) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Pyridylacetyl (K) [Unimod]" index="525" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pyridylacetyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="C(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Pyro-carbamidomethyl (C) [Unimod]" index="526" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pyro-carbamidomethyl (C) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-2) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Glu->pyro-Glu (E) [Unimod]" index="527" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glu->pyro-Glu (E) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(-3) N(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gln->pyro-Glu (Q) [Unimod]" index="528" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gln->pyro-Glu (Q) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(9) C(6) N O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="SMA (N-term) [Unimod]" index="529" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="SMA (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(9) C(6) N O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="SMA (K) [Unimod]" index="530" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="SMA (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(7) C(7) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="Pyridylethyl (C) [Unimod]" index="531" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pyridylethyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (T) [Unimod]" index="532" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (S) [Unimod]" index="533" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (N-term) [Unimod]" index="534" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (E) [Unimod]" index="535" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (D) [Unimod]" index="536" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (C-term) [Unimod]" index="537" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (C-term) [Unimod]" user="build_mods_script"><position>anyCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (L) [Unimod]" index="538" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (L) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="L" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (I) [Unimod]" index="539" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (I) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="I" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (R) [Unimod]" index="540" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (N-term) [Unimod]" index="541" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (Q) [Unimod]" index="542" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (Q) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (N) [Unimod]" index="543" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (K) [Unimod]" index="544" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (H) [Unimod]" index="545" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl (C) [Unimod]" index="546" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Oxidation (W) [Unimod]" index="547" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Oxidation (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Oxidation (H) [Unimod]" index="548" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Oxidation (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Oxidation (C) [Unimod]" index="549" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Oxidation (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Oxidation (M) [Unimod]" index="550" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Oxidation (M) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Oxidation (R) [Unimod]" index="551" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Oxidation (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Oxidation (Y) [Unimod]" index="552" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Oxidation (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Oxidation (F) [Unimod]" index="553" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Oxidation (F) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="F" /><type>standard</type></modification><modification composition="O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Oxidation (P) [Unimod]" index="554" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Oxidation (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Oxidation (N) [Unimod]" index="555" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Oxidation (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Oxidation (K) [Unimod]" index="556" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Oxidation (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Oxidation (D) [Unimod]" index="557" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Oxidation (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Oxidation (G) [Unimod]" index="558" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Oxidation (G) [Unimod]" user="build_mods_script"><position>anyCterm</position><modification_site index="0" site="G" /><type>standard</type></modification><modification composition="H(4) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dimethyl (N) [Unimod]" index="559" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dimethyl (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(4) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dimethyl (N-term) [Unimod]" index="560" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dimethyl (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(4) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dimethyl (R) [Unimod]" index="561" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dimethyl (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(4) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dimethyl (K) [Unimod]" index="562" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dimethyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(4) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dimethyl (P) [Unimod]" index="563" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dimethyl (P) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="H(6) C(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Trimethyl (A) [Unimod]" index="564" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Trimethyl (A) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="A" /><type>standard</type></modification><modification composition="H(6) C(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Trimethyl (R) [Unimod]" index="565" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Trimethyl (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(6) C(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Trimethyl (K) [Unimod]" index="566" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Trimethyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(2) C S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methylthio (C) [Unimod]" index="567" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methylthio (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(2) C S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methylthio (N) [Unimod]" index="568" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methylthio (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(2) C S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methylthio (D) [Unimod]" index="569" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methylthio (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Sulfo (Y) [Unimod]" index="570" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Sulfo (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Sulfo (T) [Unimod]" index="571" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Sulfo (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Sulfo (S) [Unimod]" index="572" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Sulfo (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Sulfo (C) [Unimod]" index="573" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Sulfo (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(12) C(8) O S(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Lipoyl (K) [Unimod]" index="574" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lipoyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(24) C(15)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Farnesyl (C) [Unimod]" index="575" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Farnesyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(26) C(14) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Myristoyl (C) [Unimod]" index="576" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Myristoyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(26) C(14) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Myristoyl (K) [Unimod]" index="577" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Myristoyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(26) C(14) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Myristoyl (G) [Unimod]" index="578" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Myristoyl (G) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="G" /><type>standard</type></modification><modification composition="H(8) C(8) N O(5) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="PyridoxalPhosphate (K) [Unimod]" index="579" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="PyridoxalPhosphate (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(30) C(16) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Palmitoyl (T) [Unimod]" index="580" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Palmitoyl (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(30) C(16) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Palmitoyl (S) [Unimod]" index="581" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Palmitoyl (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(30) C(16) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Palmitoyl (K) [Unimod]" index="582" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Palmitoyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(30) C(16) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Palmitoyl (C) [Unimod]" index="583" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Palmitoyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(30) C(16) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Palmitoyl (N-term) [Unimod]" index="584" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Palmitoyl (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(32) C(20)" create_date="2012-06-11T21:21:24.4946343+02:00" description="GeranylGeranyl (C) [Unimod]" index="585" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GeranylGeranyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(21) C(11) N(2) O(6) P S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phosphopantetheine (S) [Unimod]" index="586" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phosphopantetheine (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(31) C(27) N(9) O(15) P(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="FAD (Y) [Unimod]" index="587" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FAD (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(31) C(27) N(9) O(15) P(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="FAD (H) [Unimod]" index="588" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FAD (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(31) C(27) N(9) O(15) P(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="FAD (C) [Unimod]" index="589" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FAD (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(96) C(51) O(5)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Tripalmitate (C) [Unimod]" index="590" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Tripalmitate (C) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(2) C N(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Guanidinyl (K) [Unimod]" index="591" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Guanidinyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(16) C(9) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="HNE (K) [Unimod]" index="592" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="HNE (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(16) C(9) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="HNE (H) [Unimod]" index="593" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="HNE (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(16) C(9) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="HNE (C) [Unimod]" index="594" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="HNE (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(8) C(6) O(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Glucuronyl (N-term) [Unimod]" index="595" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glucuronyl (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(8) C(6) O(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Glucuronyl (S) [Unimod]" index="596" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glucuronyl (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(15) C(10) N(3) O(6) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Glutathione (C) [Unimod]" index="597" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glutathione (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-1) Hx(3) C(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Acetyl:2H(3) (N-term) [Unimod]" index="598" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Acetyl:2H(3) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(-1) Hx(3) C(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Acetyl:2H(3) (K) [Unimod]" index="599" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Acetyl:2H(3) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(4) C(3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Propionyl (N-term) [Unimod]" index="600" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Propionyl (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(4) C(3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Propionyl (K) [Unimod]" index="601" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Propionyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(4) Cx(3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Propionyl:13C(3) (N-term) [Unimod]" index="602" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Propionyl:13C(3) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(4) Cx(3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Propionyl:13C(3) (K) [Unimod]" index="603" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Propionyl:13C(3) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(13) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="GIST-Quat (N-term) [Unimod]" index="604" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GIST-Quat (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(13) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="GIST-Quat (K) [Unimod]" index="605" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GIST-Quat (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(10) Hx(3) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="GIST-Quat:2H(3) (N-term) [Unimod]" index="606" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GIST-Quat:2H(3) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(10) Hx(3) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="GIST-Quat:2H(3) (K) [Unimod]" index="607" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GIST-Quat:2H(3) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(7) Hx(6) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="GIST-Quat:2H(6) (N-term) [Unimod]" index="608" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GIST-Quat:2H(6) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(7) Hx(6) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="GIST-Quat:2H(6) (K) [Unimod]" index="609" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GIST-Quat:2H(6) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(4) Hx(9) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="GIST-Quat:2H(9) (N-term) [Unimod]" index="610" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GIST-Quat:2H(9) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(4) Hx(9) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="GIST-Quat:2H(9) (K) [Unimod]" index="611" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GIST-Quat:2H(9) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(4) C(4) O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Succinyl (N-term) [Unimod]" index="612" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Succinyl (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(4) C(4) O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Succinyl (N-term) [Unimod]" index="613" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Succinyl (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(4) C(4) O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Succinyl (K) [Unimod]" index="614" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Succinyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="Hx(4) C(4) O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Succinyl:2H(4) (N-term) [Unimod]" index="615" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Succinyl:2H(4) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="Hx(4) C(4) O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Succinyl:2H(4) (K) [Unimod]" index="616" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Succinyl:2H(4) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(4) Cx(4) O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Succinyl:13C(4) (N-term) [Unimod]" index="617" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Succinyl:13C(4) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(4) Cx(4) O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Succinyl:13C(4) (K) [Unimod]" index="618" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Succinyl:13C(4) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(18) C(10) N(4) O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="probiotinhydrazide (P) [Unimod]" index="619" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="probiotinhydrazide (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="H(-2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Pro->pyro-Glu (P) [Unimod]" index="620" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pro->pyro-Glu (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="H(-1) C(-2) N(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="His->Asn (H) [Unimod]" index="621" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="His->Asn (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(-2) C(-2) N(-2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="His->Asp (H) [Unimod]" index="622" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="His->Asp (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="C(-1) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Trp->Hydroxykynurenin (W) [Unimod]" index="623" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Trp->Hydroxykynurenin (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H(4) C(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(4)C(3) (K) [Unimod]" index="624" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(4)C(3) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(4) C(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(4)C(3) (H) [Unimod]" index="625" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(4)C(3) (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(4) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(4)C(2) (K) [Unimod]" index="626" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(4)C(2) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(4) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(4)C(2) (H) [Unimod]" index="627" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(4)C(2) (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(-2) S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cys->Dha (C) [Unimod]" index="628" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cys->Dha (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-5) C(-1) N(-3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg->GluSA (R) [Unimod]" index="629" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg->GluSA (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Trioxidation (C) [Unimod]" index="630" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Trioxidation (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(15) C(10) N(3) O S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Iminobiotin (N-term) [Unimod]" index="631" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Iminobiotin (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(15) C(10) N(3) O S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Iminobiotin (K) [Unimod]" index="632" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Iminobiotin (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(26) C(16) N(4) O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="ESP (N-term) [Unimod]" index="633" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ESP (N-term) [Unimod]" 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user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(16) Hx(10) C(16) N(4) O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="ESP:2H(10) (K) [Unimod]" index="636" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ESP:2H(10) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(25) C(16) N(3) O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="NHS-LC-Biotin (N-term) [Unimod]" index="637" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NHS-LC-Biotin (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(25) C(16) N(3) O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="NHS-LC-Biotin (K) [Unimod]" index="638" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NHS-LC-Biotin (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(39) C(25) N(5) O(6) S(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="EDT-maleimide-PEO-biotin (T) [Unimod]" index="639" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="EDT-maleimide-PEO-biotin (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(39) C(25) N(5) O(6) S(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="EDT-maleimide-PEO-biotin (S) [Unimod]" index="640" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="EDT-maleimide-PEO-biotin (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(4) C(3) N(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="IMID (K) [Unimod]" index="641" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="IMID (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="Hx(4) C(3) N(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="IMID:2H(4) (K) [Unimod]" index="642" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="IMID:2H(4) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(15) C(10) N(3) O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Lysbiotinhydrazide (K) [Unimod]" index="643" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lysbiotinhydrazide (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(2) Hx(3) C(3) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Propionamide:2H(3) (C) [Unimod]" index="644" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Propionamide:2H(3) (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-1) N O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Nitro (Y) [Unimod]" index="645" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Nitro (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(-1) N O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Nitro (W) [Unimod]" index="646" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Nitro (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H(17) C(10) N(3) O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICAT-C (C) [Unimod]" index="647" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICAT-C (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(2) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(2)C(2) (K) [Unimod]" index="648" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(2)C(2) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(2) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(2)C(2) (H) [Unimod]" index="649" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(2)C(2) (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="C(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Trp->Kynurenin (W) [Unimod]" index="650" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Trp->Kynurenin (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H(-3) N(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Lys->Allysine (K) [Unimod]" index="651" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lys->Allysine (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(17) C Cx(9) N(3) O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICAT-C:13C(9) (C) [Unimod]" index="652" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICAT-C:13C(9) (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(9) C(6) N O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="FormylMet (N-term) [Unimod]" index="653" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FormylMet (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(7) C(6) N O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Nethylmaleimide (C) [Unimod]" index="654" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Nethylmaleimide (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(26) C(16) N(4) O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="OxLysBiotinRed (K) [Unimod]" index="655" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="OxLysBiotinRed (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(21) C(22) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="IBTP (C) [Unimod]" index="656" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="IBTP (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(24) C(16) N(4) O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="OxLysBiotin (K) [Unimod]" index="657" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="OxLysBiotin (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(29) C(16) N(5) O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="OxProBiotinRed (P) [Unimod]" index="658" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="OxProBiotinRed (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="H(27) C(16) N(5) O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="OxProBiotin (P) [Unimod]" index="659" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="OxProBiotin (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="H(22) C(15) N(2) O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="OxArgBiotin (R) [Unimod]" index="660" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="OxArgBiotin (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(24) C(15) N(2) O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="OxArgBiotinRed (R) [Unimod]" index="661" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="OxArgBiotinRed (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(34) C(20) N(4) O(4) S(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="EDT-iodoacetyl-PEO-biotin (T) [Unimod]" index="662" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="EDT-iodoacetyl-PEO-biotin (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(34) C(20) N(4) O(4) S(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="EDT-iodoacetyl-PEO-biotin (S) [Unimod]" index="663" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="EDT-iodoacetyl-PEO-biotin (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(6) C(4) N(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="GlyGly (T) [Unimod]" index="664" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GlyGly (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(6) C(4) N(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="GlyGly (S) [Unimod]" index="665" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GlyGly (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(6) C(4) N(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="GlyGly (C) [Unimod]" index="666" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GlyGly (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(6) C(4) N(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="GlyGly (K) [Unimod]" index="667" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GlyGly (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="C O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Formyl (N-term) [Unimod]" index="668" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Formyl (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="C O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Formyl (T) [Unimod]" index="669" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Formyl (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="C O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Formyl (K) [Unimod]" index="670" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Formyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="C O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Formyl (N-term) [Unimod]" index="671" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Formyl (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="C O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Formyl (S) [Unimod]" index="672" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Formyl (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(-1) K" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cation:K (C-term) [Unimod]" index="673" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cation:K (C-term) [Unimod]" user="build_mods_script"><position>anyCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(-1) K" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cation:K (E) [Unimod]" index="674" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cation:K (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(-1) K" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cation:K (D) [Unimod]" index="675" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cation:K (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(4) C(3) O S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thioacyl (N-term) [Unimod]" index="676" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thioacyl (N-term) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(4) C(3) O S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thioacyl (K) [Unimod]" index="677" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thioacyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(-1) F" create_date="2012-06-11T21:21:24.4946343+02:00" description="Fluoro (W) [Unimod]" index="678" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Fluoro (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H(-1) F" create_date="2012-06-11T21:21:24.4946343+02:00" description="Fluoro (F) [Unimod]" index="679" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Fluoro (F) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="F" /><type>standard</type></modification><modification composition="H(-1) F" create_date="2012-06-11T21:21:24.4946343+02:00" description="Fluoro (Y) [Unimod]" index="680" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Fluoro (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(14) C(22) N O(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Fluorescein (C) [Unimod]" index="681" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Fluorescein (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-1) I" create_date="2012-06-11T21:21:24.4946343+02:00" description="Iodo (H) [Unimod]" index="682" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Iodo (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(-1) I" create_date="2012-06-11T21:21:24.4946343+02:00" description="Iodo (Y) [Unimod]" index="683" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Iodo (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(-2) I(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Diiodo (Y) [Unimod]" index="684" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Diiodo (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(-3) I(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Triiodo (Y) [Unimod]" index="685" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Triiodo (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(24) C(14) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Myristoleyl (G) [Unimod]" index="686" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Myristoleyl (G) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="G" /><type>standard</type></modification><modification composition="H(-2) C(-1) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Pro->Pyrrolidinone (P) [Unimod]" index="687" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pro->Pyrrolidinone (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="H(22) C(14) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Myristoyl+Delta:H(-4) (G) [Unimod]" index="688" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Myristoyl+Delta:H(-4) (G) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="G" /><type>standard</type></modification><modification composition="H(4) C(7) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Benzoyl (N-term) [Unimod]" index="689" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Benzoyl (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(4) C(7) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Benzoyl (K) [Unimod]" index="690" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Benzoyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(11) C(12) N O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dansyl (N-term) [Unimod]" index="691" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dansyl (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(11) C(12) N O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dansyl (K) [Unimod]" index="692" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dansyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(-1) C(-1) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="a-type-ion (C-term) [Unimod]" index="693" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="a-type-ion (C-term) [Unimod]" user="build_mods_script"><position>anyCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(3) C(2) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="Amidine (N-term) [Unimod]" index="694" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Amidine (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(3) C(2) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="Amidine (K) [Unimod]" index="695" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Amidine (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(3) Cx(6) N O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="NBS:13C(6) (W) [Unimod]" index="696" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NBS:13C(6) (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H(-1) Hx(3) Cx" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl:2H(3)13C(1) (R) [Unimod]" index="697" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl:2H(3)13C(1) (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(-2) Hx(6) Cx(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dimethyl:2H(6)13C(2) (R) [Unimod]" index="698" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dimethyl:2H(6)13C(2) (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(3) C(6) N O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="NBS (W) [Unimod]" index="699" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NBS (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H O(-1) Ox" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(1)O(-1)18O(1) (N) [Unimod]" index="700" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(1)O(-1)18O(1) (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(18) C(9) N(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="QAT (C) [Unimod]" index="701" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="QAT (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(22) C(15) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="BHT (H) [Unimod]" index="702" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="BHT (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(22) C(15) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="BHT (K) [Unimod]" index="703" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="BHT (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(22) C(15) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="BHT (C) [Unimod]" index="704" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="BHT (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(4) C(2) O(-1) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(4)C(2)O(-1)S(1) (S) [Unimod]" index="705" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(4)C(2)O(-1)S(1) (S) [Unimod]" 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Cx(9)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(9) (F) [Unimod]" index="710" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(9) (F) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="F" /><type>standard</type></modification><modification composition="H C(-9) Cx(9) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(9)+Phospho (Y) [Unimod]" index="711" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(9)+Phospho (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="C(-6) Cx(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(6) (I) [Unimod]" index="712" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(6) (I) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="I" /><type>standard</type></modification><modification composition="C(-6) Cx(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(6) (L) [Unimod]" index="713" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(6) (L) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="L" /><type>standard</type></modification><modification composition="C(-6) Cx(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(6) (K) [Unimod]" index="714" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(6) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="C(-6) Cx(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(6) (R) [Unimod]" index="715" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(6) (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(4) C(8) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="HPG (R) [Unimod]" index="716" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" 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create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(6)C(6)O(1) (K) [Unimod]" index="731" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(6)C(6)O(1) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(4) C(3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(4)C(3)O(1) (K) [Unimod]" index="732" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(4)C(3)O(1) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(4) C(3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(4)C(3)O(1) (H) [Unimod]" index="733" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(4)C(3)O(1) (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(4) C(3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(4)C(3)O(1) (C) [Unimod]" index="734" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(4)C(3)O(1) (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(2) C(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(2)C(3) (K) [Unimod]" index="735" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(2)C(3) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(4) C(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(4)C(6) (K) [Unimod]" index="736" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(4)C(6) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(8) C(6) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(8)C(6)O(2) (K) [Unimod]" index="737" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(8)C(6)O(2) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(21) C(15) N(5) O(13) P(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="ADP-Ribosyl (E) [Unimod]" index="738" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ADP-Ribosyl (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(21) C(15) N(5) O(13) P(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="ADP-Ribosyl (S) [Unimod]" index="739" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" 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reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="AEBS (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(4) C(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ethanolyl (C) [Unimod]" index="791" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ethanolyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(6) C(4) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="HMVK (C) [Unimod]" index="792" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="HMVK (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(4) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ethyl (N-term) [Unimod]" index="793" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ethyl (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(4) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ethyl (K) [Unimod]" index="794" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ethyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(4) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ethyl (E) [Unimod]" index="795" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ethyl (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(4) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ethyl (N-term) [Unimod]" index="796" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ethyl (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(34) C(21) N(7) O(16) P(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="CoenzymeA (C) [Unimod]" index="797" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CoenzymeA (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H C N(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl+Deamidated (Q) [Unimod]" index="798" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl+Deamidated (Q) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H C N(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl+Deamidated (N) [Unimod]" index="799" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl+Deamidated (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(5) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(5)C(2) (P) [Unimod]" index="800" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(5)C(2) (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="Hx(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl:2H(2) (K) [Unimod]" index="801" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl:2H(2) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(5) C(6) N O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="SulfanilicAcid (E) [Unimod]" index="802" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="SulfanilicAcid (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(5) C(6) N O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="SulfanilicAcid (D) [Unimod]" index="803" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="SulfanilicAcid (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(5) C(6) N O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="SulfanilicAcid (C-term) [Unimod]" index="804" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="SulfanilicAcid (C-term) [Unimod]" user="build_mods_script"><position>anyCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(5) Cx(6) N O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="SulfanilicAcid:13C(6) (E) [Unimod]" index="805" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="SulfanilicAcid:13C(6) (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(5) Cx(6) N O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="SulfanilicAcid:13C(6) (D) [Unimod]" index="806" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="SulfanilicAcid:13C(6) (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(5) Cx(6) N O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="SulfanilicAcid:13C(6) (C-term) [Unimod]" index="807" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="SulfanilicAcid:13C(6) (C-term) [Unimod]" user="build_mods_script"><position>anyCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(28) C(16) N(4) O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Biotin-PEO-Amine (D) [Unimod]" index="808" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Biotin-PEO-Amine (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(28) C(16) N(4) O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Biotin-PEO-Amine (C-term) [Unimod]" index="809" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Biotin-PEO-Amine (C-term) [Unimod]" user="build_mods_script"><position>proteinCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(28) C(16) N(4) O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Biotin-PEO-Amine (E) [Unimod]" index="810" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Biotin-PEO-Amine (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(-2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Trp->Oxolactone (W) [Unimod]" index="811" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Trp->Oxolactone (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H(32) C(19) N(4) O(3) S(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Biotin-HPDP (C) [Unimod]" index="812" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Biotin-HPDP (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(11) C(9) N(2) O(9) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="IodoU-AMP (Y) [Unimod]" index="813" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="IodoU-AMP (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(11) C(9) N(2) O(9) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="IodoU-AMP (W) [Unimod]" index="814" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="IodoU-AMP (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H(11) C(9) N(2) O(9) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="IodoU-AMP (F) [Unimod]" index="815" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="IodoU-AMP (F) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="F" /><type>standard</type></modification><modification composition="H(7) C(5) N O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="CAMthiopropanoyl (N-term) [Unimod]" index="816" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CAMthiopropanoyl (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(7) C(5) N O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="CAMthiopropanoyl (K) [Unimod]" index="817" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CAMthiopropanoyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(22) C(14) N(4) O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="IED-Biotin (C) [Unimod]" index="818" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="IED-Biotin (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-1) Hx(3) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl:2H(3) (E) [Unimod]" index="819" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl:2H(3) (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(-1) Hx(3) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl:2H(3) (D) [Unimod]" index="820" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl:2H(3) (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(-1) Hx(3) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl:2H(3) (C-term) [Unimod]" index="821" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl:2H(3) (C-term) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="C O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carboxy (E) [Unimod]" index="822" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carboxy (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="C O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carboxy (D) [Unimod]" index="823" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carboxy (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="C O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carboxy (K) [Unimod]" index="824" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carboxy (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="C O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carboxy (W) [Unimod]" index="825" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carboxy (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="C O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carboxy (M) [Unimod]" index="826" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carboxy (M) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="H(10) C(10) N(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Bromobimane (C) [Unimod]" index="827" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Bromobimane (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(6) C(11) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Menadione (K) [Unimod]" index="828" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Menadione (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(6) C(11) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Menadione (C) [Unimod]" index="829" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Menadione (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(4) C(2) O S" create_date="2012-06-11T21:21:24.4946343+02:00" description="DeStreak (C) [Unimod]" index="830" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DeStreak (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(5) C(3) N O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cysteinyl (C) [Unimod]" index="831" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cysteinyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-12) C(-6) N(-2) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Lys-loss (K) [Unimod]" index="832" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lys-loss (K) [Unimod]" user="build_mods_script"><position>proteinCterm</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(5) C(5) N O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Nmethylmaleimide (K) [Unimod]" index="833" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Nmethylmaleimide (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(5) C(5) N O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Nmethylmaleimide (C) [Unimod]" index="834" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Nmethylmaleimide (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(44) C(37) N(4) O(6) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="CyDye-Cy3 (C) [Unimod]" index="835" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CyDye-Cy3 (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(6) C(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="DimethylpyrroleAdduct (K) [Unimod]" index="836" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DimethylpyrroleAdduct (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(2) C(5)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(2)C(5) (K) [Unimod]" index="837" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(2)C(5) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(2) C(3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(2)C(3)O(1) (K) [Unimod]" index="838" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(2)C(3)O(1) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(2) C(3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Delta:H(2)C(3)O(1) (R) [Unimod]" index="839" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Delta:H(2)C(3)O(1) (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(9) C(6) N O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Nethylmaleimide+water (K) [Unimod]" index="840" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Nethylmaleimide+water (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(9) C(6) N O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Nethylmaleimide+water (C) [Unimod]" index="841" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Nethylmaleimide+water (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H Hx(3) C(3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methyl+Acetyl:2H(3) (K) [Unimod]" index="842" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methyl+Acetyl:2H(3) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(30) C(31) N(4) O(6) S I" create_date="2012-06-11T21:21:24.4946343+02:00" description="Xlink:B10621 (C) [Unimod]" index="843" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Xlink:B10621 (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(5) C(3) N S" create_date="2012-06-11T21:21:24.4946343+02:00" description="DTBP (N-term) [Unimod]" index="844" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DTBP (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(5) C(3) N S" create_date="2012-06-11T21:21:24.4946343+02:00" description="DTBP (K) [Unimod]" index="845" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DTBP (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(5) C(3) N S" create_date="2012-06-11T21:21:24.4946343+02:00" description="DTBP (R) [Unimod]" index="846" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DTBP (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(5) C(3) N S" create_date="2012-06-11T21:21:24.4946343+02:00" description="DTBP (Q) [Unimod]" index="847" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DTBP (Q) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(5) C(3) N S" create_date="2012-06-11T21:21:24.4946343+02:00" description="DTBP (N) [Unimod]" index="848" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DTBP (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(49) C(27) N(4) O(5) P S" create_date="2012-06-11T21:21:24.4946343+02:00" description="FP-Biotin (T) [Unimod]" index="849" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FP-Biotin (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(49) C(27) N(4) O(5) P S" create_date="2012-06-11T21:21:24.4946343+02:00" description="FP-Biotin (Y) [Unimod]" index="850" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FP-Biotin (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(49) C(27) N(4) O(5) P S" create_date="2012-06-11T21:21:24.4946343+02:00" description="FP-Biotin (S) [Unimod]" index="851" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FP-Biotin (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(34) C(19) N(4) O(5) P S(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thiophos-S-S-biotin (Y) [Unimod]" index="852" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thiophos-S-S-biotin (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(34) C(19) N(4) O(5) P S(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thiophos-S-S-biotin (T) [Unimod]" index="853" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thiophos-S-S-biotin (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(34) C(19) N(4) O(5) P S(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thiophos-S-S-biotin (S) [Unimod]" index="854" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thiophos-S-S-biotin (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(34) C(19) N(3) O(5) P S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Can-FP-biotin (T) [Unimod]" index="855" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Can-FP-biotin (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(34) C(19) N(3) O(5) P S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Can-FP-biotin (Y) [Unimod]" index="856" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Can-FP-biotin (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(34) C(19) N(3) O(5) P S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Can-FP-biotin (S) [Unimod]" index="857" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Can-FP-biotin (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(18) C(9) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="HNE+Delta:H(2) (K) [Unimod]" index="858" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="HNE+Delta:H(2) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(18) C(9) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="HNE+Delta:H(2) (H) [Unimod]" index="859" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="HNE+Delta:H(2) (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(18) C(9) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="HNE+Delta:H(2) (C) [Unimod]" index="860" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="HNE+Delta:H(2) (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(16) C(10) N(4) O S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thrbiotinhydrazide (T) [Unimod]" index="861" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thrbiotinhydrazide (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(3) C N O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methylamine (T) [Unimod]" index="862" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methylamine (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(3) C N O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methylamine (S) [Unimod]" index="863" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methylamine (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(13) C(6) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Diisopropylphosphate (Y) [Unimod]" index="864" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Diisopropylphosphate (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(13) C(6) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Diisopropylphosphate (T) [Unimod]" index="865" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Diisopropylphosphate (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(13) C(6) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Diisopropylphosphate (S) [Unimod]" index="866" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Diisopropylphosphate (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(7) C(3) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Isopropylphospho (Y) [Unimod]" index="867" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Isopropylphospho (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(7) C(3) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Isopropylphospho (T) [Unimod]" index="868" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Isopropylphospho (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(7) C(3) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Isopropylphospho (S) [Unimod]" index="869" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Isopropylphospho (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(3) Cx(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICPL:13C(6) (N-term) [Unimod]" index="870" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICPL:13C(6) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(3) Cx(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICPL:13C(6) (N-term) [Unimod]" index="871" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICPL:13C(6) (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(3) Cx(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICPL:13C(6) (K) [Unimod]" index="872" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICPL:13C(6) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(3) C(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICPL (N-term) [Unimod]" index="873" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICPL (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(3) C(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICPL (K) [Unimod]" index="874" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICPL (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(3) C(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICPL (N-term) [Unimod]" index="875" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICPL (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(-1) N(-1) Ox" create_date="2012-06-11T21:21:24.4946343+02:00" description="Deamidated:18O(1) (Q) [Unimod]" index="876" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Deamidated:18O(1) (Q) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(-1) N(-1) Ox" create_date="2012-06-11T21:21:24.4946343+02:00" description="Deamidated:18O(1) (N) [Unimod]" index="877" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Deamidated:18O(1) (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(-2) C(-1) N(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg->Orn (R) [Unimod]" index="878" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg->Orn (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dehydro (C) [Unimod]" index="879" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dehydro (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(15) C(7) N(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Diphthamide (H) [Unimod]" index="880" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Diphthamide (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(24) C(15) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Hydroxyfarnesyl (C) [Unimod]" index="881" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Hydroxyfarnesyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(68) C(37) O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Diacylglycerol (C) [Unimod]" index="882" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Diacylglycerol (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(4) C(3) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carboxyethyl (K) [Unimod]" index="883" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carboxyethyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(9) C(4) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Hypusine (K) [Unimod]" index="884" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Hypusine (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(26) C(20)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Retinylidene (K) [Unimod]" index="885" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Retinylidene (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(-3) N(-1) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Lys->AminoadipicAcid (K) [Unimod]" index="886" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lys->AminoadipicAcid (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(-3) N(-1) O S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cys->PyruvicAcid (C) [Unimod]" index="887" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cys->PyruvicAcid (C) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-3) N(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ammonia-loss (C) [Unimod]" index="888" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ammonia-loss (C) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-3) N(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ammonia-loss (S) [Unimod]" index="889" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ammonia-loss (S) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(-3) N(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ammonia-loss (T) [Unimod]" index="890" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ammonia-loss (T) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(-3) N(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ammonia-loss (N) [Unimod]" index="891" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ammonia-loss (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(38) C(33) N(4) O(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phycocyanobilin (C) [Unimod]" index="892" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phycocyanobilin (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(40) C(33) N(4) O(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phycoerythrobilin (C) [Unimod]" index="893" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phycoerythrobilin (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(36) C(33) N(4) O(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phytochromobilin (C) [Unimod]" index="894" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phytochromobilin (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Quinone (W) [Unimod]" index="895" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Quinone (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H(-2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Quinone (Y) [Unimod]" index="896" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Quinone (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(6) C(2) N O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="GPIanchor (C-term) [Unimod]" index="897" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GPIanchor (C-term) [Unimod]" user="build_mods_script"><position>proteinCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(42) C(26) N(7) O(19) P(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="PhosphoribosyldephosphoCoA (S) [Unimod]" index="898" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="PhosphoribosyldephosphoCoA (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(12) C(5) N O(5) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="GlycerylPE (E) [Unimod]" index="899" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GlycerylPE (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H C(6) O I(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Triiodothyronine (Y) [Unimod]" index="900" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Triiodothyronine (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="C(6) O I(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thyroxine (Y) [Unimod]" index="901" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thyroxine (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(-6) C(-6) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Tyr->Dha (Y) [Unimod]" index="902" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Tyr->Dha (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Didehydro (S) [Unimod]" index="903" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Didehydro (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Didehydro (Y) [Unimod]" index="904" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Didehydro (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Didehydro (T) [Unimod]" index="905" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Didehydro (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Didehydro (K) [Unimod]" index="906" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Didehydro (K) [Unimod]" user="build_mods_script"><position>anyCterm</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(-2) O S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cys->Oxoalanine (C) [Unimod]" index="907" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cys->Oxoalanine (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-1) N(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ser->LacticAcid (S) [Unimod]" index="908" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ser->LacticAcid (S) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(14) C(10) N(2) O(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="GluGlu (E) [Unimod]" index="909" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GluGlu (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(14) C(10) N(2) O(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="GluGlu (C-term) [Unimod]" index="910" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GluGlu (C-term) [Unimod]" user="build_mods_script"><position>proteinCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(12) C(10) N(5) O(6) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phosphoadenosine (H) [Unimod]" index="911" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phosphoadenosine (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(12) C(10) N(5) O(6) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phosphoadenosine (T) [Unimod]" index="912" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phosphoadenosine (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(12) C(10) N(5) O(6) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phosphoadenosine (K) [Unimod]" index="913" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phosphoadenosine (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(12) C(10) N(5) O(6) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phosphoadenosine (Y) [Unimod]" index="914" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phosphoadenosine (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(7) C(5) N O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Glu (E) [Unimod]" index="915" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glu (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(7) C(5) N O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Glu (C-term) [Unimod]" index="916" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glu (C-term) [Unimod]" user="build_mods_script"><position>proteinCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(6) C(9) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Hydroxycinnamyl (C) [Unimod]" index="917" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Hydroxycinnamyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(8) C(5) O(5)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Glycosyl (P) [Unimod]" index="918" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glycosyl (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="H(19) C(17) N(4) O(9) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="FMNH (H) [Unimod]" index="919" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FMNH (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(19) C(17) N(4) O(9) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="FMNH (C) [Unimod]" index="920" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FMNH (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(86) C(43) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Archaeol (C) [Unimod]" index="921" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Archaeol (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(5) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phenylisocyanate (N-term) [Unimod]" index="922" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phenylisocyanate (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="Hx(5) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phenylisocyanate:2H(5) (N-term) [Unimod]" index="923" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phenylisocyanate:2H(5) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(12) C(10) N(5) O(7) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phosphoguanosine (H) [Unimod]" index="924" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phosphoguanosine (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(12) C(10) N(5) O(7) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phosphoguanosine (K) [Unimod]" index="925" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phosphoguanosine (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(2) C O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Hydroxymethyl (N) [Unimod]" index="926" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Hydroxymethyl (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(22) C(20) N(2) O(8)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dipyrrolylmethanemethyl (C) [Unimod]" index="927" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dipyrrolylmethanemethyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(11) C(9) N(2) O(8) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="PhosphoUridine (H) [Unimod]" index="928" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="PhosphoUridine (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(11) C(9) N(2) O(8) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="PhosphoUridine (Y) [Unimod]" index="929" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="PhosphoUridine (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(7) C(3) O(5) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Glycerophospho (S) [Unimod]" index="930" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glycerophospho (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="O(-1) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carboxy->Thiocarboxy (G) [Unimod]" index="931" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carboxy->Thiocarboxy (G) [Unimod]" user="build_mods_script"><position>proteinCterm</position><modification_site index="0" site="G" /><type>standard</type></modification><modification composition="S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Sulfide (C) [Unimod]" index="932" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Sulfide (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(2) C(3) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="PyruvicAcidIminyl (K) [Unimod]" index="933" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="PyruvicAcidIminyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(2) C(3) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="PyruvicAcidIminyl (V) [Unimod]" index="934" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="PyruvicAcidIminyl (V) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="V" /><type>standard</type></modification><modification composition="H(2) C(3) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="PyruvicAcidIminyl (C) [Unimod]" index="935" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="PyruvicAcidIminyl (C) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dioxidation (Y) [Unimod]" index="936" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dioxidation (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dioxidation (W) [Unimod]" index="937" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dioxidation (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dioxidation (F) [Unimod]" index="938" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dioxidation (F) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="F" /><type>standard</type></modification><modification composition="O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dioxidation (M) [Unimod]" index="939" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dioxidation (M) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dioxidation (R) [Unimod]" index="940" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dioxidation (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dioxidation (K) [Unimod]" index="941" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dioxidation (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dioxidation (P) [Unimod]" index="942" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dioxidation (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dioxidation (C) [Unimod]" index="943" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dioxidation (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(14) C(8) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Octanoyl (T) [Unimod]" index="944" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Octanoyl (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(14) C(8) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Octanoyl (S) [Unimod]" index="945" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Octanoyl (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(28) C(16) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Palmitoleyl (C) [Unimod]" index="946" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Palmitoleyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(44) C(27)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cholesterol (C-term) [Unimod]" index="947" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cholesterol (C-term) [Unimod]" user="build_mods_script"><position>proteinCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(24) C(20)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Didehydroretinylidene (K) [Unimod]" index="948" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Didehydroretinylidene (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(26) C(17) O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="CHDH (D) [Unimod]" index="949" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CHDH (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(7) C(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methylpyrroline (K) [Unimod]" index="950" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methylpyrroline (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(19) C(13) N(6) O(6) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="MicrocinC7 (C-term) [Unimod]" index="951" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="MicrocinC7 (C-term) [Unimod]" user="build_mods_script"><position>proteinCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(-1) C N" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cyano (C) [Unimod]" index="952" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cyano (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(2) C N(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Amidino (C) [Unimod]" index="953" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Amidino (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(19) C(17) N(4) O(8) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="FMN (S) [Unimod]" index="954" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FMN (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(19) C(17) N(4) O(8) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="FMN (T) [Unimod]" index="955" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FMN (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(21) C(17) N(4) O(9) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="FMNC (C) [Unimod]" index="956" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FMNC (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(7) C(3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Hydroxytrimethyl (K) [Unimod]" index="957" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Hydroxytrimethyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Deoxy (T) [Unimod]" index="958" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Deoxy (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Deoxy (D) [Unimod]" index="959" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Deoxy (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Deoxy (S) [Unimod]" index="960" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Deoxy (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(37) C(36) N(3) O(20)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Microcin (C-term) [Unimod]" index="961" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Microcin (C-term) [Unimod]" user="build_mods_script"><position>proteinCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(18) C(10) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Decanoyl (T) [Unimod]" index="962" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Decanoyl (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(18) C(10) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Decanoyl (S) [Unimod]" index="963" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Decanoyl (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(21) C(15) N(3) O(9)" create_date="2012-06-11T21:21:24.4946343+02:00" description="GluGluGlu (C-term) [Unimod]" index="964" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GluGluGlu (C-term) [Unimod]" user="build_mods_script"><position>proteinCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(21) C(15) N(3) O(9)" create_date="2012-06-11T21:21:24.4946343+02:00" description="GluGluGlu (E) [Unimod]" index="965" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GluGluGlu (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(28) C(20) N(4) O(12)" create_date="2012-06-11T21:21:24.4946343+02:00" description="GluGluGluGlu (C-term) [Unimod]" index="966" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GluGluGluGlu (C-term) [Unimod]" user="build_mods_script"><position>proteinCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(28) C(20) N(4) O(12)" create_date="2012-06-11T21:21:24.4946343+02:00" description="GluGluGluGlu (E) [Unimod]" index="967" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="GluGluGluGlu (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(11) C(6) N O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="HexN (W) [Unimod]" index="968" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="HexN (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H(11) C(6) N O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="HexN (T) [Unimod]" index="969" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="HexN (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(11) C(6) N O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="HexN (N) [Unimod]" index="970" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="HexN (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(11) C(6) N O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="HexN (K) [Unimod]" index="971" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="HexN (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(14) C(8) N(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Xlink:DMP-s (N-term) [Unimod]" index="972" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Xlink:DMP-s (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(14) C(8) N(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Xlink:DMP-s (K) [Unimod]" index="973" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Xlink:DMP-s (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(10) C(7) N(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Xlink:DMP (N-term) [Unimod]" index="974" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Xlink:DMP (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(10) C(7) N(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Xlink:DMP (K) [Unimod]" index="975" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Xlink:DMP (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(5) C(13) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="NDA (N-term) [Unimod]" index="976" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NDA (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(5) C(13) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="NDA (K) [Unimod]" index="977" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NDA (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(5) C Cx(6) N O(3) S(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="SPITC:13C(6) (N-term) [Unimod]" index="978" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="SPITC:13C(6) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(5) C Cx(6) N O(3) S(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="SPITC:13C(6) (K) [Unimod]" index="979" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="SPITC:13C(6) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(5) Hx(9) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="TMAB:2H(9) (N-term) [Unimod]" index="980" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="TMAB:2H(9) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(5) Hx(9) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="TMAB:2H(9) (K) [Unimod]" index="981" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="TMAB:2H(9) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(14) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="TMAB (N-term) [Unimod]" index="982" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="TMAB (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(14) C(7) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="TMAB (K) [Unimod]" index="983" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="TMAB (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(15) C(21) N(3) O(5) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="FTC (S) [Unimod]" index="984" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FTC (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(15) C(21) N(3) O(5) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="FTC (R) [Unimod]" index="985" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FTC (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(15) C(21) N(3) O(5) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="FTC (P) [Unimod]" index="986" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FTC (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="H(15) C(21) N(3) O(5) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="FTC (K) [Unimod]" index="987" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FTC (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(15) C(21) N(3) O(5) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="FTC (C) [Unimod]" index="988" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FTC (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(5) C(2) N O(-1) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="AEC-MAEC (T) [Unimod]" index="989" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="AEC-MAEC (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(5) C(2) N O(-1) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="AEC-MAEC (S) [Unimod]" index="990" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="AEC-MAEC (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(24) C(21) O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="BADGE (C) [Unimod]" index="991" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="BADGE (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-4) Hx(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:2H(4) (K) [Unimod]" index="992" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:2H(4) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(44) C(38) N(4) O(6) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="CyDye-Cy5 (C) [Unimod]" index="993" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CyDye-Cy5 (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(8) C(8) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="DHP (C) [Unimod]" index="994" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DHP (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(22) C(15) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="BHTOH (H) [Unimod]" index="995" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="BHTOH (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(22) C(15) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="BHTOH (C) [Unimod]" index="996" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="BHTOH (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(22) C(15) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="BHTOH (K) [Unimod]" index="997" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="BHTOH (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(7) C(5) N O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Nmethylmaleimide+water (C) [Unimod]" index="998" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Nmethylmaleimide+water (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(6) C(7) N(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="PyMIC (N-term) [Unimod]" index="999" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="PyMIC (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(28) C(20) O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="LG-lactam-K (N-term) [Unimod]" index="1000" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="LG-lactam-K (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(28) C(20) O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="LG-lactam-K (K) [Unimod]" index="1001" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="LG-lactam-K (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(20) C(32) N(2) O(6) S(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="BisANS (K) [Unimod]" index="1002" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="BisANS (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(8) C(5)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Piperidine (N-term) [Unimod]" index="1003" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Piperidine (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(8) C(5)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Piperidine (K) [Unimod]" index="1004" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Piperidine (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(8) C(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Diethyl (N-term) [Unimod]" index="1005" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Diethyl (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(8) C(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Diethyl (K) [Unimod]" index="1006" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Diethyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(28) C(20) O(5)" create_date="2012-06-11T21:21:24.4946343+02:00" description="LG-Hlactam-K (N-term) [Unimod]" index="1007" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="LG-Hlactam-K (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(28) C(20) O(5)" create_date="2012-06-11T21:21:24.4946343+02:00" description="LG-Hlactam-K (K) [Unimod]" index="1008" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="LG-Hlactam-K (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="Hx(4) Cx(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dimethyl:2H(4)13C(2) (N-term) [Unimod]" index="1009" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dimethyl:2H(4)13C(2) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="Hx(4) Cx(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dimethyl:2H(4)13C(2) (K) [Unimod]" index="1010" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dimethyl:2H(4)13C(2) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(29) C(14) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="C8-QAT (N-term) [Unimod]" index="1011" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="C8-QAT (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(29) C(14) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="C8-QAT (K) [Unimod]" index="1012" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="C8-QAT (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(26) C(19) N(-2) O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="LG-lactam-R (R) [Unimod]" index="1013" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="LG-lactam-R (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(12) C(7) N(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="CLIP_TRAQ_1 (N-term) [Unimod]" index="1014" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CLIP_TRAQ_1 (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(12) C(7) N(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="CLIP_TRAQ_1 (K) [Unimod]" index="1015" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CLIP_TRAQ_1 (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(12) C(7) N(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="CLIP_TRAQ_1 (Y) [Unimod]" index="1016" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CLIP_TRAQ_1 (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(12) C(6) Cx N(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="CLIP_TRAQ_2 (N-term) [Unimod]" index="1017" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CLIP_TRAQ_2 (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(12) C(6) Cx N(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="CLIP_TRAQ_2 (K) [Unimod]" index="1018" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CLIP_TRAQ_2 (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(12) C(6) Cx N(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="CLIP_TRAQ_2 (Y) [Unimod]" index="1019" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CLIP_TRAQ_2 (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(26) C(19) N(-2) O(5)" create_date="2012-06-11T21:21:24.4946343+02:00" description="LG-Hlactam-R (R) [Unimod]" index="1020" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="LG-Hlactam-R (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(35) C(23) N(5) O(7) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Maleimide-PEO2-Biotin (C) [Unimod]" index="1021" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Maleimide-PEO2-Biotin (C) [Unimod]" 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user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(13) C(24) N O(7)" create_date="2012-06-11T21:21:24.4946343+02:00" description="FNEM (C) [Unimod]" index="1024" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="FNEM (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(14) C(9) N O(4) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="PropylNAGthiazoline (C) [Unimod]" index="1025" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="PropylNAGthiazoline (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-4) C(-1) S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dethiomethyl (M) [Unimod]" index="1026" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dethiomethyl (M) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="H(12) C(5) Cx(2) N(2) Ox" create_date="2012-06-11T21:21:24.4946343+02:00" description="iTRAQ4plex114 (Y) [Unimod]" index="1027" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="iTRAQ4plex114 (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(12) C(5) Cx(2) N(2) Ox" create_date="2012-06-11T21:21:24.4946343+02:00" description="iTRAQ4plex114 (N-term) [Unimod]" index="1028" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="iTRAQ4plex114 (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(12) C(5) Cx(2) N(2) Ox" create_date="2012-06-11T21:21:24.4946343+02:00" description="iTRAQ4plex114 (K) [Unimod]" index="1029" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="iTRAQ4plex114 (K) [Unimod]" 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user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(20) C(11) Cx N(3) O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="CLIP_TRAQ_3 (Y) [Unimod]" index="1034" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CLIP_TRAQ_3 (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(20) C(11) Cx N(3) O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="CLIP_TRAQ_3 (N-term) [Unimod]" index="1035" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CLIP_TRAQ_3 (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(20) C(11) Cx N(3) O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="CLIP_TRAQ_3 (K) [Unimod]" index="1036" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CLIP_TRAQ_3 (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(15) C(9) Cx N(2) O(5)" create_date="2012-06-11T21:21:24.4946343+02:00" description="CLIP_TRAQ_4 (N-term) [Unimod]" index="1037" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CLIP_TRAQ_4 (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(15) C(9) Cx N(2) O(5)" create_date="2012-06-11T21:21:24.4946343+02:00" description="CLIP_TRAQ_4 (K) [Unimod]" index="1038" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CLIP_TRAQ_4 (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(15) C(9) Cx N(2) O(5)" create_date="2012-06-11T21:21:24.4946343+02:00" description="CLIP_TRAQ_4 (Y) [Unimod]" index="1039" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="CLIP_TRAQ_4 (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(54) C(35) N(4) O(4) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="15dB-biotin (C) [Unimod]" index="1040" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="15dB-biotin (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(60) C(36) N(4) O(5) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="PGA1-biotin (C) [Unimod]" index="1041" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="PGA1-biotin (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ala->Ser (A) [Unimod]" index="1042" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ala->Ser (A) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="A" /><type>standard</type></modification><modification composition="H(2) C O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ala->Thr (A) [Unimod]" index="1043" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ala->Thr (A) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="A" /><type>standard</type></modification><modification composition="C O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ala->Asp (A) [Unimod]" index="1044" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ala->Asp (A) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="A" /><type>standard</type></modification><modification composition="H(2) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ala->Pro (A) [Unimod]" index="1045" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ala->Pro (A) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="A" /><type>standard</type></modification><modification composition="H(-2) C(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ala->Gly (A) [Unimod]" index="1046" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ala->Gly (A) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="A" /><type>standard</type></modification><modification composition="H(2) C(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ala->Glu (A) [Unimod]" index="1047" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ala->Glu (A) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="A" /><type>standard</type></modification><modification composition="H(4) C(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ala->Val (A) [Unimod]" index="1048" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ala->Val (A) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="A" /><type>standard</type></modification><modification composition="H(4) C(6) S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cys->Phe (C) [Unimod]" index="1049" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cys->Phe (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="O S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cys->Ser (C) [Unimod]" index="1050" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cys->Ser (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(5) C(8) N S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cys->Trp (C) [Unimod]" index="1051" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cys->Trp (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(4) C(6) O S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cys->Tyr (C) [Unimod]" index="1052" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cys->Tyr (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(7) C(3) N(3) S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cys->Arg (C) [Unimod]" index="1053" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cys->Arg (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-2) C(-1) S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cys->Gly (C) [Unimod]" index="1054" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cys->Gly (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="C(-1) O(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Asp->Ala (D) [Unimod]" index="1055" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Asp->Ala (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(2) C(2) N(2) O(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Asp->His (D) [Unimod]" index="1056" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Asp->His (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H N O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Asp->Asn (D) [Unimod]" index="1057" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Asp->Asn (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(-2) C(-2) O(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Asp->Gly (D) [Unimod]" index="1058" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Asp->Gly (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(4) C(5) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Asp->Tyr (D) [Unimod]" index="1059" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Asp->Tyr (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Asp->Glu (D) [Unimod]" index="1060" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Asp->Glu (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(4) C O(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Asp->Val (D) [Unimod]" index="1061" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Asp->Val (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(-2) C(-2) O(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Glu->Ala (E) [Unimod]" index="1062" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glu->Ala (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H N O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Glu->Gln (E) [Unimod]" index="1063" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glu->Gln (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(-2) C(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Glu->Asp (E) [Unimod]" index="1064" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glu->Asp (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(5) C N O(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Glu->Lys (E) [Unimod]" index="1065" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glu->Lys (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(-4) C(-3) O(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Glu->Gly (E) [Unimod]" index="1066" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glu->Gly (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(2) O(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Glu->Val (E) [Unimod]" index="1067" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Glu->Val (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(-4) C(-6) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phe->Ser (F) [Unimod]" index="1068" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phe->Ser (F) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="F" /><type>standard</type></modification><modification composition="H(-4) C(-6) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phe->Cys (F) [Unimod]" index="1069" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phe->Cys (F) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="F" /><type>standard</type></modification><modification composition="H(2) C(-3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phe->Ile (F) [Unimod]" index="1070" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phe->Ile (F) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="F" /><type>standard</type></modification><modification composition="O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phe->Tyr (F) [Unimod]" index="1071" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phe->Tyr (F) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="F" /><type>standard</type></modification><modification composition="C(-4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Phe->Val (F) [Unimod]" index="1072" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Phe->Val (F) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="F" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gly->Ala (G) [Unimod]" index="1073" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gly->Ala (G) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="G" /><type>standard</type></modification><modification composition="H(2) C O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gly->Ser (G) [Unimod]" index="1074" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gly->Ser (G) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="G" /><type>standard</type></modification><modification composition="H(7) C(9) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gly->Trp (G) [Unimod]" index="1075" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gly->Trp (G) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="G" /><type>standard</type></modification><modification composition="H(4) C(3) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gly->Glu (G) [Unimod]" index="1076" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gly->Glu (G) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="G" /><type>standard</type></modification><modification composition="H(6) C(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gly->Val (G) [Unimod]" index="1077" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gly->Val (G) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="G" /><type>standard</type></modification><modification composition="H(2) C(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gly->Asp (G) [Unimod]" index="1078" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gly->Asp (G) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="G" /><type>standard</type></modification><modification composition="H(2) C S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gly->Cys (G) [Unimod]" index="1079" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gly->Cys (G) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="G" /><type>standard</type></modification><modification composition="H(9) C(4) N(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gly->Arg (G) [Unimod]" index="1080" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gly->Arg (G) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="G" /><type>standard</type></modification><modification composition="H Hx(3) C(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="dNIC (N-term) [Unimod]" index="1081" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="dNIC (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="C(-1) N(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="His->Pro (H) [Unimod]" index="1082" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="His->Pro (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(2) C(3) N(-2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="His->Tyr (H) [Unimod]" index="1083" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="His->Tyr (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H C(-1) N(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="His->Gln (H) [Unimod]" index="1084" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="His->Gln (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(3) C(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="NIC (N-term) [Unimod]" index="1085" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NIC (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(5) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="His->Arg (H) [Unimod]" index="1086" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="His->Arg (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(4) N(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="His->Leu (H) [Unimod]" index="1087" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="His->Leu (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(-2) C(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ile->Phe (I) [Unimod]" index="1088" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ile->Phe (I) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="I" /><type>standard</type></modification><modification composition="H(-6) C(-3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ile->Ser (I) [Unimod]" index="1089" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ile->Ser (I) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="I" /><type>standard</type></modification><modification composition="H(-4) C(-2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ile->Thr (I) [Unimod]" index="1090" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ile->Thr (I) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="I" /><type>standard</type></modification><modification composition="H(-5) C(-2) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ile->Asn (I) [Unimod]" index="1091" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ile->Asn (I) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="I" /><type>standard</type></modification><modification composition="H N" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ile->Lys (I) [Unimod]" index="1092" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ile->Lys (I) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="I" /><type>standard</type></modification><modification composition="H(-2) C(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ile->Val (I) [Unimod]" index="1093" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ile->Val (I) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="I" /><type>standard</type></modification><modification composition="H(-2) C(-1) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ile->Met (I) [Unimod]" index="1094" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ile->Met (I) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="I" /><type>standard</type></modification><modification composition="H N(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ile->Arg (I) [Unimod]" index="1095" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ile->Arg (I) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="I" /><type>standard</type></modification><modification composition="H(-5) C(-2) N(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Lys->Thr (K) [Unimod]" index="1096" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lys->Thr (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(-6) C(-2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Lys->Asn (K) [Unimod]" index="1097" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lys->Asn (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(-5) C(-1) N(-1) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Lys->Glu (K) [Unimod]" index="1098" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lys->Glu (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(-4) C(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Lys->Gln (K) [Unimod]" index="1099" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lys->Gln (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(-3) C(-1) N(-1) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Lys->Met (K) [Unimod]" index="1100" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lys->Met (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="N(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Lys->Arg (K) [Unimod]" index="1101" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lys->Arg (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(-1) N(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Lys->Ile (K) [Unimod]" index="1102" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Lys->Ile (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(-6) C(-3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Leu->Ser (L) [Unimod]" index="1103" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Leu->Ser (L) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="L" /><type>standard</type></modification><modification composition="H(-2) C(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Leu->Phe (L) [Unimod]" index="1104" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Leu->Phe (L) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="L" /><type>standard</type></modification><modification composition="H(-1) C(5) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="Leu->Trp (L) [Unimod]" index="1105" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Leu->Trp (L) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="L" /><type>standard</type></modification><modification composition="H(-4) C(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Leu->Pro (L) [Unimod]" index="1106" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Leu->Pro (L) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="L" /><type>standard</type></modification><modification composition="H(-2) C(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Leu->Val (L) [Unimod]" index="1107" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Leu->Val (L) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="L" /><type>standard</type></modification><modification composition="H(-4) N(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Leu->His (L) [Unimod]" index="1108" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Leu->His (L) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="L" /><type>standard</type></modification><modification composition="H(-3) C(-1) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Leu->Gln (L) [Unimod]" index="1109" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Leu->Gln (L) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="L" /><type>standard</type></modification><modification composition="H(-2) C(-1) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Leu->Met (L) [Unimod]" index="1110" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Leu->Met (L) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="L" /><type>standard</type></modification><modification composition="H N(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Leu->Arg (L) [Unimod]" index="1111" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Leu->Arg (L) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="L" /><type>standard</type></modification><modification composition="H(-2) C(-1) O S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Met->Thr (M) [Unimod]" index="1112" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Met->Thr (M) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="H(3) C N(3) S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Met->Arg (M) [Unimod]" index="1113" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Met->Arg (M) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="H(2) C S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Met->Ile (M) [Unimod]" index="1114" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Met->Ile (M) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="H(3) C N S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Met->Lys (M) [Unimod]" index="1115" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Met->Lys (M) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="H(2) C S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Met->Leu (M) [Unimod]" index="1116" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Met->Leu (M) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Met->Val (M) [Unimod]" index="1117" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Met->Val (M) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="H(-1) C(-1) N(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Asn->Ser (N) [Unimod]" index="1118" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Asn->Ser (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H N(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Asn->Thr (N) [Unimod]" index="1119" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Asn->Thr (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(6) C(2) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Asn->Lys (N) [Unimod]" index="1120" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Asn->Lys (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(3) C(5) N(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Asn->Tyr (N) [Unimod]" index="1121" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Asn->Tyr (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H C(2) N O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Asn->His (N) [Unimod]" index="1122" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Asn->His (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(-1) N(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Asn->Asp (N) [Unimod]" index="1123" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Asn->Asp (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(5) C(2) N(-1) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Asn->Ile (N) [Unimod]" index="1124" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Asn->Ile (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(-2) C(-2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Pro->Ser (P) [Unimod]" index="1125" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pro->Ser (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="H(-2) C(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Pro->Ala (P) [Unimod]" index="1126" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pro->Ala (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="C N(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Pro->His (P) [Unimod]" index="1127" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pro->His (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="H N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Pro->Gln (P) [Unimod]" index="1128" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pro->Gln (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="C(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Pro->Thr (P) [Unimod]" index="1129" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pro->Thr (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="H(5) C N(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Pro->Arg (P) [Unimod]" index="1130" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pro->Arg (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="H(4) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Pro->Leu (P) [Unimod]" index="1131" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pro->Leu (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="H(-1) N(-1) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gln->Pro (Q) [Unimod]" index="1132" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gln->Pro (Q) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(4) C O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gln->Lys (Q) [Unimod]" index="1133" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gln->Lys (Q) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(-1) N(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gln->Glu (Q) [Unimod]" index="1134" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gln->Glu (Q) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(-1) C N O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gln->His (Q) [Unimod]" index="1135" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gln->His (Q) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(4) C N(2) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gln->Arg (Q) [Unimod]" index="1136" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gln->Arg (Q) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(3) C N(-1) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gln->Leu (Q) [Unimod]" index="1137" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gln->Leu (Q) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(-7) C(-3) N(-3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg->Ser (R) [Unimod]" index="1138" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg->Ser (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(-2) C(5) N(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg->Trp (R) [Unimod]" index="1139" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg->Trp (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(-5) C(-2) N(-3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg->Thr (R) [Unimod]" index="1140" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg->Thr (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(-5) C(-1) N(-3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg->Pro (R) [Unimod]" index="1141" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg->Pro (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="N(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg->Lys (R) [Unimod]" index="1142" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg->Lys (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(-5) N(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg->His (R) [Unimod]" index="1143" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg->His (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(-4) C(-1) N(-2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg->Gln (R) [Unimod]" index="1144" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg->Gln (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(-3) C(-1) N(-3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg->Met (R) [Unimod]" index="1145" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg->Met (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(-7) C(-3) N(-3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg->Cys (R) [Unimod]" index="1146" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg->Cys (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(-1) N(-3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg->Ile (R) [Unimod]" index="1147" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg->Ile (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(-9) C(-4) N(-3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg->Gly (R) [Unimod]" index="1148" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg->Gly (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(4) C(6) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ser->Phe (S) [Unimod]" index="1149" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ser->Phe (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ser->Ala (S) [Unimod]" index="1150" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ser->Ala (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(5) C(8) N O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ser->Trp (S) [Unimod]" index="1151" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ser->Trp (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ser->Thr (S) [Unimod]" index="1152" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ser->Thr (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H C N" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ser->Asn (S) [Unimod]" index="1153" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ser->Asn (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(2) C(2) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ser->Pro (S) [Unimod]" index="1154" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ser->Pro (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(4) C(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ser->Tyr (S) [Unimod]" index="1155" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ser->Tyr (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="O(-1) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ser->Cys (S) [Unimod]" index="1156" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ser->Cys (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(7) C(3) N(3) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ser->Arg (S) [Unimod]" index="1157" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ser->Arg (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(6) C(3) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ser->Ile (S) [Unimod]" index="1158" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ser->Ile (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(-2) C(-1) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ser->Gly (S) [Unimod]" index="1159" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ser->Gly (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(-2) C(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thr->Ser (T) [Unimod]" index="1160" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thr->Ser (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(-2) C(-1) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thr->Ala (T) [Unimod]" index="1161" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thr->Ala (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(-1) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thr->Asn (T) [Unimod]" index="1162" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thr->Asn (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(5) C(2) N O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thr->Lys (T) [Unimod]" index="1163" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thr->Lys (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="C O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thr->Pro (T) [Unimod]" index="1164" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thr->Pro (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(2) C O(-1) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thr->Met (T) [Unimod]" index="1165" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thr->Met (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(4) C(2) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thr->Ile (T) [Unimod]" index="1166" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thr->Ile (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(5) C(2) N(3) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Thr->Arg (T) [Unimod]" index="1167" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Thr->Arg (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="C(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Val->Phe (V) [Unimod]" index="1168" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Val->Phe (V) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="V" /><type>standard</type></modification><modification composition="H(-4) C(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Val->Ala (V) [Unimod]" index="1169" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Val->Ala (V) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="V" /><type>standard</type></modification><modification composition="H(-2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Val->Glu (V) [Unimod]" index="1170" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Val->Glu (V) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="V" /><type>standard</type></modification><modification composition="S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Val->Met (V) [Unimod]" index="1171" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Val->Met (V) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="V" /><type>standard</type></modification><modification composition="H(-4) C(-1) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Val->Asp (V) [Unimod]" index="1172" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Val->Asp (V) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="V" /><type>standard</type></modification><modification composition="H(2) C" create_date="2012-06-11T21:21:24.4946343+02:00" description="Val->Ile (V) [Unimod]" index="1173" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Val->Ile (V) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="V" /><type>standard</type></modification><modification composition="H(-6) C(-3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Val->Gly (V) [Unimod]" index="1174" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Val->Gly (V) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="V" /><type>standard</type></modification><modification composition="H(-5) C(-8) N(-1) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Trp->Ser (W) [Unimod]" index="1175" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Trp->Ser (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H(-5) C(-8) N(-1) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Trp->Cys (W) [Unimod]" index="1176" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Trp->Cys (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H(2) C(-5) N(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Trp->Arg (W) [Unimod]" index="1177" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Trp->Arg (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H(-7) C(-9) N(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Trp->Gly (W) [Unimod]" index="1178" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Trp->Gly (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="H C(-5) N(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Trp->Leu (W) [Unimod]" index="1179" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Trp->Leu (W) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="W" /><type>standard</type></modification><modification composition="O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Tyr->Phe (Y) [Unimod]" index="1180" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Tyr->Phe (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(-4) C(-6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Tyr->Ser (Y) [Unimod]" index="1181" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Tyr->Ser (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(-3) C(-5) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="Tyr->Asn (Y) [Unimod]" index="1182" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Tyr->Asn (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(-2) C(-3) N(2) O(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Tyr->His (Y) [Unimod]" index="1183" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Tyr->His (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(-4) C(-5) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Tyr->Asp (Y) [Unimod]" index="1184" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Tyr->Asp (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(-4) C(-6) O(-1) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Tyr->Cys (Y) [Unimod]" index="1185" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Tyr->Cys (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(31) C(18) N O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="NA-LNO2 (C) [Unimod]" index="1186" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NA-LNO2 (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(31) C(18) N O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="NA-LNO2 (H) [Unimod]" index="1187" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NA-LNO2 (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(33) C(18) N O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="NA-OA-NO2 (C) [Unimod]" index="1188" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NA-OA-NO2 (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(33) C(18) N O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="NA-OA-NO2 (H) [Unimod]" index="1189" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NA-OA-NO2 (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(-1) Hx(4) C(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICPL:2H(4) (N-term) [Unimod]" index="1190" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICPL:2H(4) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(-1) Hx(4) C(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICPL:2H(4) (N-term) [Unimod]" index="1191" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICPL:2H(4) (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(-1) Hx(4) C(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICPL:2H(4) (K) [Unimod]" index="1192" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICPL:2H(4) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(24) C(7) Cx(7) N(3) Nx O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="iTRAQ8plex (Y) [Unimod]" index="1193" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="iTRAQ8plex (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(24) C(7) Cx(7) N(3) Nx O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="iTRAQ8plex (N-term) [Unimod]" index="1194" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="iTRAQ8plex (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(24) C(7) Cx(7) N(3) Nx O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="iTRAQ8plex (K) [Unimod]" index="1195" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="iTRAQ8plex (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="C(-6) Cx(6) N(-1) Nx" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(6)15N(1) (I) [Unimod]" index="1196" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(6)15N(1) (I) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="I" /><type>standard</type></modification><modification composition="C(-6) Cx(6) N(-1) Nx" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(6)15N(1) (L) [Unimod]" index="1197" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(6)15N(1) (L) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="L" /><type>standard</type></modification><modification composition="H(-9) Hx(9) C(-6) Cx(6) N(-2) Nx(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:2H(9)13C(6)15N(2) (K) [Unimod]" index="1198" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:2H(9)13C(6)15N(2) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(14) C(9) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="HNE-Delta:H(2)O (K) [Unimod]" index="1199" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="HNE-Delta:H(2)O (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(14) C(9) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="HNE-Delta:H(2)O (H) [Unimod]" index="1200" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="HNE-Delta:H(2)O (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(14) C(9) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="HNE-Delta:H(2)O (C) [Unimod]" index="1201" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="HNE-Delta:H(2)O (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(14) C(9) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="4-ONE (K) [Unimod]" index="1202" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="4-ONE (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(14) C(9) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="4-ONE (H) [Unimod]" index="1203" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="4-ONE (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(14) C(9) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="4-ONE (C) [Unimod]" index="1204" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="4-ONE (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(5) C(2) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Dimethylphosphate (Y) [Unimod]" index="1205" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Dimethylphosphate (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(5) C(2) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Dimethylphosphate (T) [Unimod]" index="1206" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Dimethylphosphate (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(5) C(2) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Dimethylphosphate (S) [Unimod]" index="1207" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Dimethylphosphate (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(3) C O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Methylphosphate (Y) [Unimod]" index="1208" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Methylphosphate (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(3) C O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Methylphosphate (T) [Unimod]" index="1209" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Methylphosphate (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(3) C O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Methylphosphate (S) [Unimod]" index="1210" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Methylphosphate (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(9) C(4) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Diethylphosphate (Y) [Unimod]" index="1211" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Diethylphosphate (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(9) C(4) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Diethylphosphate (T) [Unimod]" index="1212" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Diethylphosphate (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(9) C(4) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Diethylphosphate (S) [Unimod]" index="1213" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Diethylphosphate (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(5) C(2) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Ethylphosphate (Y) [Unimod]" index="1214" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Ethylphosphate (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(5) C(2) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Ethylphosphate (T) [Unimod]" index="1215" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Ethylphosphate (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(5) C(2) O(3) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Ethylphosphate (S) [Unimod]" index="1216" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Ethylphosphate (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(15) C(7) O(2) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-pinacolylmethylphosphonate (Y) [Unimod]" index="1217" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-pinacolylmethylphosphonate (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(15) C(7) O(2) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-pinacolylmethylphosphonate (T) [Unimod]" index="1218" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-pinacolylmethylphosphonate (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(15) C(7) O(2) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-pinacolylmethylphosphonate (S) [Unimod]" index="1219" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-pinacolylmethylphosphonate (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(3) C O(2) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methylphosphonate (Y) [Unimod]" index="1220" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methylphosphonate (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(3) C O(2) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methylphosphonate (T) [Unimod]" index="1221" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methylphosphonate (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(3) C O(2) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="Methylphosphonate (S) [Unimod]" index="1222" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Methylphosphonate (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(9) C(4) O(2) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Isopropylmethylphosphonate (Y) [Unimod]" index="1223" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Isopropylmethylphosphonate (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(9) C(4) O(2) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Isopropylmethylphosphonate (T) [Unimod]" index="1224" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Isopropylmethylphosphonate (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(9) C(4) O(2) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="O-Isopropylmethylphosphonate (S) [Unimod]" index="1225" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="O-Isopropylmethylphosphonate (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(24) C(8) Cx(6) N(2) Nx(2) O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="iTRAQ8plex:13C(6)15N(2) (Y) [Unimod]" index="1226" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="iTRAQ8plex:13C(6)15N(2) (Y) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Y" /><type>standard</type></modification><modification composition="H(24) C(8) Cx(6) N(2) Nx(2) O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="iTRAQ8plex:13C(6)15N(2) (N-term) [Unimod]" index="1227" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="iTRAQ8plex:13C(6)15N(2) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(24) C(8) Cx(6) N(2) Nx(2) O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="iTRAQ8plex:13C(6)15N(2) (K) [Unimod]" index="1228" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="iTRAQ8plex:13C(6)15N(2) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(8) C(4) O S(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="DTT_ST (S) [Unimod]" index="1229" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DTT_ST (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(8) C(4) O S(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="DTT_ST (T) [Unimod]" index="1230" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DTT_ST (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(5) C(2) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ethanolamine (D) [Unimod]" index="1231" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ethanolamine (D) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="D" /><type>standard</type></modification><modification composition="H(5) C(2) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ethanolamine (C-term) [Unimod]" index="1232" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ethanolamine (C-term) [Unimod]" user="build_mods_script"><position>anyCterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(5) C(2) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="Ethanolamine (E) [Unimod]" index="1233" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Ethanolamine (E) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="E" /><type>standard</type></modification><modification composition="H(20) C(8) Cx(4) N Nx O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="TMT6plex (K) [Unimod]" index="1234" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="TMT6plex (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(20) C(8) Cx(4) N Nx O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="TMT6plex (N-term) [Unimod]" index="1235" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="TMT6plex (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(8) C(4) O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="DTT_C (C) [Unimod]" index="1236" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DTT_C (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(20) C(11) Cx N(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="TMT2plex (N-term) [Unimod]" index="1237" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="TMT2plex (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(20) C(11) Cx N(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="TMT2plex (K) [Unimod]" index="1238" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="TMT2plex (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(20) C(12) N(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="TMT (N-term) [Unimod]" index="1239" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="TMT (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(20) C(12) N(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="TMT (K) [Unimod]" index="1240" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="TMT (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(50) C(23) Cx(12) N(8) Nx(6) O(18)" create_date="2012-06-11T21:21:24.4946343+02:00" description="ExacTagThiol (C) [Unimod]" index="1241" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ExacTagThiol (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(52) C(25) Cx(12) N(8) Nx(6) O(19) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="ExacTagAmine (K) [Unimod]" index="1242" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ExacTagAmine (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(10) C(10) N(3) O(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="NO_SMX_SEMD (C) [Unimod]" index="1243" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NO_SMX_SEMD (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(12) C(9) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="4-ONE+Delta:H(-2)O(-1) (K) [Unimod]" index="1244" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="4-ONE+Delta:H(-2)O(-1) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(12) C(9) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="4-ONE+Delta:H(-2)O(-1) (H) [Unimod]" index="1245" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="4-ONE+Delta:H(-2)O(-1) (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(12) C(9) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="4-ONE+Delta:H(-2)O(-1) (C) [Unimod]" index="1246" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="4-ONE+Delta:H(-2)O(-1) (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(10) C(10) N(3) O(4) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="NO_SMX_SMCT (C) [Unimod]" index="1247" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NO_SMX_SMCT (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(9) C(10) N(3) O(4) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="NO_SMX_SIMD (C) [Unimod]" index="1248" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NO_SMX_SIMD (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(2) C(3) O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Malonyl (C) [Unimod]" index="1249" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Malonyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(2) C(3) O(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Malonyl (S) [Unimod]" index="1250" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Malonyl (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(4) C(7) O(4) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="3sulfo (N-term) [Unimod]" index="1251" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="3sulfo (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(-3) F(3)" create_date="2012-06-11T21:21:24.4946343+02:00" description="trifluoro (L) [Unimod]" index="1252" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="trifluoro (L) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="L" /><type>standard</type></modification><modification composition="H C(6) N(3) O(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="TNBS (N-term) [Unimod]" index="1253" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="TNBS (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H C(6) N(3) O(6)" create_date="2012-06-11T21:21:24.4946343+02:00" description="TNBS (K) [Unimod]" index="1254" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="TNBS (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(38) C(29) N(8) O(6) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Biotin-phenacyl (C) [Unimod]" index="1255" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Biotin-phenacyl (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(38) C(29) N(8) O(6) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Biotin-phenacyl (H) [Unimod]" index="1256" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Biotin-phenacyl (H) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="H" /><type>standard</type></modification><modification composition="H(38) C(29) N(8) O(6) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Biotin-phenacyl (S) [Unimod]" index="1257" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Biotin-phenacyl (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(2) Hx(6) C(4) O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="DTT_C:2H(6) (C) [Unimod]" index="1258" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DTT_C:2H(6) (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(16) C(16) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="lapachenole (C) [Unimod]" index="1259" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="lapachenole (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="C(-5) Cx(5)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(5) (P) [Unimod]" index="1260" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(5) (P) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="P" /><type>standard</type></modification><modification composition="H(3) C(4) N O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="maleimide (K) [Unimod]" index="1261" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="maleimide (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(3) C(4) N O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="maleimide (C) [Unimod]" index="1262" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="maleimide (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(2) Hx(6) C(4) O S(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="DTT_ST:2H(6) (T) [Unimod]" index="1263" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DTT_ST:2H(6) (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(2) Hx(6) C(4) O S(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="DTT_ST:2H(6) (S) [Unimod]" index="1264" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DTT_ST:2H(6) (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H(-9) C(-5) N(-1) O(-1) S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Met-loss (M) [Unimod]" index="1265" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Met-loss (M) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="H(-7) C(-3) N(-1) S(-1)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Met-loss+Acetyl (M) [Unimod]" index="1266" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Met-loss+Acetyl (M) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="H(8) C(11) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Menadione-HQ (K) [Unimod]" index="1267" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Menadione-HQ (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(8) C(11) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Menadione-HQ (C) [Unimod]" index="1268" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Menadione-HQ (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(2) Cx(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Carboxymethyl:13C(2) (C) [Unimod]" index="1269" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Carboxymethyl:13C(2) (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(2) Hx(5) C(6) N O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="NEM:2H(5) (C) [Unimod]" index="1270" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="NEM:2H(5) (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(-2) C(-2) O(-2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Gly-loss+Amide (G) [Unimod]" index="1271" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Gly-loss+Amide (G) [Unimod]" user="build_mods_script"><position>anyCterm</position><modification_site index="0" site="G" /><type>standard</type></modification><modification composition="H(34) C(29) O(10) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="TMPP-Ac (N-term) [Unimod]" index="1272" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="TMPP-Ac (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(6) C(-2) Cx(6) N(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(6)+GlyGly (K) [Unimod]" index="1273" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(6)+GlyGly (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(-1) C(3) N O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg->Npo (R) [Unimod]" index="1274" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg->Npo (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(-2) Hx(4) C(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:2H(4)+Acetyl (K) [Unimod]" index="1275" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:2H(4)+Acetyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(11) C(5) N" create_date="2012-06-11T21:21:24.4946343+02:00" description="Pentylamine (Q) [Unimod]" index="1276" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Pentylamine (Q) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(25) C(15) N(3) O(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="PentylamineBiotin (Q) [Unimod]" index="1277" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="PentylamineBiotin (Q) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(4) C(3) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Dihydroxyimidazolidine (R) [Unimod]" index="1278" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Dihydroxyimidazolidine (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(2) C(6) N(2) O(4) F(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="DFDNB (Q) [Unimod]" index="1279" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DFDNB (Q) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="Q" /><type>standard</type></modification><modification composition="H(2) C(6) N(2) O(4) F(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="DFDNB (N) [Unimod]" index="1280" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DFDNB (N) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="N" /><type>standard</type></modification><modification composition="H(2) C(6) N(2) O(4) F(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="DFDNB (R) [Unimod]" index="1281" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DFDNB (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(2) C(6) N(2) O(4) F(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="DFDNB (K) [Unimod]" index="1282" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="DFDNB (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(39) C(39) N(4) O(9) F(3) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Cy3b-maleimide (C) [Unimod]" index="1283" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Cy3b-maleimide (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H Hx(4) C(2) N O(-1) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="AEC-MAEC:2H(4) (S) [Unimod]" index="1284" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="AEC-MAEC:2H(4) (S) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="S" /><type>standard</type></modification><modification composition="H Hx(4) C(2) N O(-1) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="AEC-MAEC:2H(4) (T) [Unimod]" index="1285" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="AEC-MAEC:2H(4) (T) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="T" /><type>standard</type></modification><modification composition="H(8) C(10) N(2) O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="BMOE (C) [Unimod]" index="1286" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="BMOE (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(37) C(21) N(5) O(6) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="Biotin-PEO4-hydrazide (C-term) [Unimod]" index="1287" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Biotin-PEO4-hydrazide (C-term) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(2) C(-4) Cx(6) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(6)+Acetyl (K) [Unimod]" index="1288" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(6)+Acetyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(2) C(-4) Cx(6) N(-2) Nx(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(6)15N(2)+Acetyl (K) [Unimod]" index="1289" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(6)15N(2)+Acetyl (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(32) C(20) N(6) O(8)" create_date="2012-06-11T21:21:24.4946343+02:00" description="EQIGG (K) [Unimod]" index="1290" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="EQIGG (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(11) C(10) N(5) O(7) P" create_date="2012-06-11T21:21:24.4946343+02:00" description="cGMP (C) [Unimod]" index="1291" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="cGMP (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(4) C(5) N(5) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="cGMP+RMP-loss (C) [Unimod]" index="1292" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="cGMP+RMP-loss (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification><modification composition="H(10) C(16) O(4)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Arg2PG (R) [Unimod]" index="1293" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Arg2PG (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(2) Hx(4) C(4) N(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:2H(4)+GlyGly (K) [Unimod]" index="1294" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:2H(4)+GlyGly (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="C(-8) Cx(8) N(-2) Nx(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(8)15N(2) (R) [Unimod]" index="1295" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(8)15N(2) (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(-3) Hx(3) C(-1) Cx" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(1)2H(3) (M) [Unimod]" index="1296" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(1)2H(3) (M) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="M" /><type>standard</type></modification><modification composition="H(52) B C(37) N(6) O(6) F(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="ZGB (K) [Unimod]" index="1297" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ZGB (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(52) B C(37) N(6) O(6) F(2) S" create_date="2012-06-11T21:21:24.4946343+02:00" description="ZGB (N-term) [Unimod]" index="1298" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ZGB (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(2) C(3) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="MG-H1 (R) [Unimod]" index="1299" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="MG-H1 (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="C(2) O" create_date="2012-06-11T21:21:24.4946343+02:00" description="G-H1 (R) [Unimod]" index="1300" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="G-H1 (R) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="R" /><type>standard</type></modification><modification composition="H(6) C(-2) Cx(6) Nx(2) O(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Label:13C(6)15N(2)+GlyGly (K) [Unimod]" index="1301" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Label:13C(6)15N(2)+GlyGly (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(-1) Hx(4) Cx(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICPL:13C(6)2H(4) (N-term) [Unimod]" index="1302" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICPL:13C(6)2H(4) (N-term) [Unimod]" user="build_mods_script"><position>anyNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(-1) Hx(4) Cx(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICPL:13C(6)2H(4) (K) [Unimod]" index="1303" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICPL:13C(6)2H(4) (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(-1) Hx(4) Cx(6) N O" create_date="2012-06-11T21:21:24.4946343+02:00" description="ICPL:13C(6)2H(4) (N-term) [Unimod]" index="1304" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="ICPL:13C(6)2H(4) (N-term) [Unimod]" user="build_mods_script"><position>proteinNterm</position><modification_site index="0" site="-" /><type>standard</type></modification><modification composition="H(39) C(23) N(9) O(11)" create_date="2012-06-11T21:21:24.4946343+02:00" description="QQQTGG (K) [Unimod]" index="1305" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="QQQTGG (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(38) C(23) N(8) O(12)" create_date="2012-06-11T21:21:24.4946343+02:00" description="QEQTGG (K) [Unimod]" index="1306" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="QEQTGG (K) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="K" /><type>standard</type></modification><modification composition="H(21) B C(20) N(4) O(3) F(2)" create_date="2012-06-11T21:21:24.4946343+02:00" description="Bodipy (C) [Unimod]" index="1307" last_modified_date="2012-06-11T21:21:24.4946343+02:00" reporterCorrectionM1="0" reporterCorrectionM2="0" reporterCorrectionP1="0" reporterCorrectionP2="0" title="Bodipy (C) [Unimod]" user="build_mods_script"><position>anywhere</position><modification_site index="0" site="C" /><type>standard</type></modification></modifications> \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/init.py Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,74 @@ +#!/usr/bin/env python3 +"""Initialize MaxQuant tool for use with a new version of +modifications/enzymes.xml. + +TODO: Append function: only add modifications that are not +already present, add modification entries to conda maxquant + +Authors: Damian Glaetzer <d.glaetzer@mailbox.org> + +Usage: init.py [-a] [-m MODS_FILE] [-e ENZYMES_FILE] +FILES are the modifications/enzymes.xml of MaxQuant, located at +<ANACONDA_DIR>/pkgs/maxquant-<VERSION>/bin/conf/. +(for conda installations) + +Updates modification parameters in macros.xml. +""" + +import argparse +import re +import xml.etree.ElementTree as ET +from xml.dom import minidom + + +def build_list(node, name, mod_list, append=False): + """Build the modifications list in macros.xml""" + node.clear() + node.tag = 'xml' + node.set('name', name) + for m in mod_list: + ET.SubElement(node, 'expand', attrib={'macro': 'mod_option', + 'value': m}) + + +parser = argparse.ArgumentParser() +parser.add_argument("-m", "--modifications", + help="modifications.xml of maxquant") +parser.add_argument("-e", "--enzymes", + help="enzymes.xml of maxquant") +args = parser.parse_args() + +if args.modifications: + mods_root = ET.parse(args.modifications).getroot() + + mods = mods_root.findall('modification') + standard_mods = [] + label_mods = [] + for m in mods: + if (m.findtext('type') == 'Standard' + or m.findtext('type') == 'AaSubstitution'): + standard_mods.append(m.get('title')) + elif m.findtext('type') == 'Label': + label_mods.append(m.get('title')) + +if args.enzymes: + enzymes_root = ET.parse(args.enzymes).getroot() + + enzymes = enzymes_root.findall('enzyme') + enzymes_list = [e.get('title') for e in enzymes] + +macros_root = ET.parse('./macros.xml').getroot() +for child in macros_root: + if child.get('name') == 'modification' and args.modifications: + build_list(child, 'modification', standard_mods) + elif child.get('name') == 'label' and args.modifications: + build_list(child, 'label', label_mods) + elif child.get('name') == 'proteases' and args.enzymes: + build_list(child, 'proteases', enzymes_list) + +rough_string = ET.tostring(macros_root, 'utf-8') +reparsed = minidom.parseString(rough_string) +pretty = reparsed.toprettyxml(indent=" ") +even_prettier = re.sub(r"\n\s+\n", r"\n", pretty) +with open('./macros.xml', 'w') as f: + print(even_prettier, file=f)
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/macros.xml Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,485 @@ +<?xml version="1.0" ?> +<macros> + <token name="@VERSION@">1.6.3.4</token> + <token name="@SUBSTITUTION_RX@">[^\w\-\s\.]</token> + <xml name="output" token_format="tabular" token_label="default description" token_name="default"> + <data format="@FORMAT@" label="@LABEL@ for ${on_string}" name="@NAME@"> + <filter>'@NAME@' in output_opts['output']</filter> + </data> + </xml> + <xml name="output_option" token_label="default label" token_name="default"> + <option value="@NAME@">@LABEL@</option> + </xml> + <xml name="mod_option" token_value="default"> + <option value="@VALUE@">@VALUE@</option> + </xml> + <xml name="modification"> + <expand macro="mod_option" value="Acetyl (K)"/> + <expand macro="mod_option" value="Acetyl (Protein N-term)"/> + <expand macro="mod_option" value="Carbamidomethyl (C)"/> + <expand macro="mod_option" value="Oxidation (M)"/> + <expand macro="mod_option" value="Phospho (STY)"/> + <expand macro="mod_option" value="GlyGly (K)"/> + <expand macro="mod_option" value="Methyl (KR)"/> + <expand macro="mod_option" value="Dimethyl (KR)"/> + <expand macro="mod_option" value="Trimethyl (K)"/> + <expand macro="mod_option" value="Pro5"/> + <expand macro="mod_option" value="Pro6"/> + <expand macro="mod_option" value="Glu->pyro-Glu"/> + <expand macro="mod_option" value="Gln->pyro-Glu"/> + <expand macro="mod_option" value="QQTGG (K)"/> + <expand macro="mod_option" value="Deamidation (N)"/> + <expand macro="mod_option" value="Deamidation 18O (N)"/> + <expand macro="mod_option" value="Deamidation (NQ)"/> + <expand macro="mod_option" value="Hydroxyproline"/> + <expand macro="mod_option" value="Carbamyl (N-term)"/> + <expand macro="mod_option" value="Delta:H(2)C(2) (N-term)"/> + <expand macro="mod_option" value="Dioxidation (MW)"/> + <expand macro="mod_option" value="Trioxidation (C)"/> + <expand macro="mod_option" value="Dethiomethyl (M)"/> + <expand macro="mod_option" value="Cation:Na (DE)"/> + <expand macro="mod_option" value="Methyl (E)"/> + <expand macro="mod_option" value="Dehydrated (ST)"/> + <expand macro="mod_option" value="Oxidation (P)"/> + <expand macro="mod_option" value="Dimethyl (K)"/> + <expand macro="mod_option" value="Amidated (Protein C-term)"/> + <expand macro="mod_option" value="Sulfo (STY)"/> + <expand macro="mod_option" value="Acetyl (N-term)"/> + <expand macro="mod_option" value="Amidated (C-term)"/> + <expand macro="mod_option" value="Sulfation (Y)"/> + <expand macro="mod_option" value="Phospho (ST)"/> + <expand macro="mod_option" value="Cys-Cys"/> + <expand macro="mod_option" value="Ala->Arg"/> + <expand macro="mod_option" value="Ala->Asn"/> + <expand macro="mod_option" value="Ala->Asp"/> + <expand macro="mod_option" value="Ala->Cys"/> + <expand macro="mod_option" value="Ala->Gln"/> + <expand macro="mod_option" value="Ala->Glu"/> + <expand macro="mod_option" value="Ala->Gly"/> + <expand macro="mod_option" value="Ala->His"/> + <expand macro="mod_option" value="Ala->Xle"/> + <expand macro="mod_option" value="Ala->Lys"/> + <expand macro="mod_option" value="Ala->Met"/> + <expand macro="mod_option" value="Ala->Phe"/> + <expand macro="mod_option" value="Ala->Pro"/> + <expand macro="mod_option" value="Ala->Ser"/> + <expand macro="mod_option" value="Ala->Thr"/> + <expand macro="mod_option" value="Ala->Trp"/> + <expand macro="mod_option" value="Ala->Tyr"/> + <expand macro="mod_option" value="Ala->Val"/> + <expand macro="mod_option" value="Arg->Ala"/> + <expand macro="mod_option" value="Arg->Asn"/> + <expand macro="mod_option" value="Arg->Asp"/> + <expand macro="mod_option" value="Arg->Cys"/> + <expand macro="mod_option" value="Arg->Gln"/> + <expand macro="mod_option" value="Arg->Glu"/> + <expand macro="mod_option" value="Arg->Gly"/> + <expand macro="mod_option" value="Arg->His"/> + <expand macro="mod_option" value="Arg->Lys"/> + <expand macro="mod_option" value="Arg->Met"/> + <expand macro="mod_option" value="Arg->Phe"/> + <expand macro="mod_option" value="Arg->Pro"/> + <expand macro="mod_option" value="Arg->Ser"/> + <expand macro="mod_option" value="Arg->Thr"/> + <expand macro="mod_option" value="Arg->Trp"/> + <expand macro="mod_option" value="Arg->Tyr"/> + <expand macro="mod_option" value="Arg->Val"/> + <expand macro="mod_option" value="Arg->Xle"/> + <expand macro="mod_option" value="Asn->Ala"/> + <expand macro="mod_option" value="Asn->Arg"/> + <expand macro="mod_option" value="Asn->Asp"/> + <expand macro="mod_option" value="Asn->Cys"/> + <expand macro="mod_option" value="Asn->Gln"/> + <expand macro="mod_option" value="Asn->Glu"/> + <expand macro="mod_option" value="Asn->Gly"/> + <expand macro="mod_option" value="Asn->His"/> + <expand macro="mod_option" value="Asn->Lys"/> + <expand macro="mod_option" value="Asn->Met"/> + <expand macro="mod_option" value="Asn->Phe"/> + <expand macro="mod_option" value="Asn->Pro"/> + <expand macro="mod_option" value="Asn->Ser"/> + <expand macro="mod_option" value="Asn->Thr"/> + <expand macro="mod_option" value="Asn->Trp"/> + <expand macro="mod_option" value="Asn->Tyr"/> + <expand macro="mod_option" value="Asn->Val"/> + <expand macro="mod_option" value="Asn->Xle"/> + <expand macro="mod_option" value="Asp->Ala"/> + <expand macro="mod_option" value="Asp->Arg"/> + <expand macro="mod_option" value="Asp->Asn"/> + <expand macro="mod_option" value="Asp->Cys"/> + <expand macro="mod_option" value="Asp->Gln"/> + <expand macro="mod_option" value="Asp->Glu"/> + <expand macro="mod_option" value="Asp->Gly"/> + <expand macro="mod_option" value="Asp->His"/> + <expand macro="mod_option" value="Asp->Lys"/> + <expand macro="mod_option" value="Asp->Met"/> + <expand macro="mod_option" value="Asp->Phe"/> + <expand macro="mod_option" value="Asp->Pro"/> + <expand macro="mod_option" value="Asp->Ser"/> + <expand macro="mod_option" value="Asp->Thr"/> + <expand macro="mod_option" value="Asp->Trp"/> + <expand macro="mod_option" value="Asp->Tyr"/> + <expand macro="mod_option" value="Asp->Val"/> + <expand macro="mod_option" value="Asp->Xle"/> + <expand macro="mod_option" value="Cys->Ala"/> + <expand macro="mod_option" value="Cys->Arg"/> + <expand macro="mod_option" value="Cys->Asn"/> + <expand macro="mod_option" value="Cys->Asp"/> + <expand macro="mod_option" value="Cys->Gln"/> + <expand macro="mod_option" value="Cys->Glu"/> + <expand macro="mod_option" value="Cys->Gly"/> + <expand macro="mod_option" value="Cys->His"/> + <expand macro="mod_option" value="Cys->Lys"/> + <expand macro="mod_option" value="Cys->Met"/> + <expand macro="mod_option" value="Cys->Phe"/> + <expand macro="mod_option" value="Cys->Pro"/> + <expand macro="mod_option" value="Cys->Ser"/> + <expand macro="mod_option" value="Cys->Thr"/> + <expand macro="mod_option" value="Cys->Trp"/> + <expand macro="mod_option" value="Cys->Tyr"/> + <expand macro="mod_option" value="Cys->Val"/> + <expand macro="mod_option" value="Cys->Xle"/> + <expand macro="mod_option" value="Gln->Ala"/> + <expand macro="mod_option" value="Gln->Arg"/> + <expand macro="mod_option" value="Gln->Asn"/> + <expand macro="mod_option" value="Gln->Asp"/> + <expand macro="mod_option" value="Gln->Cys"/> + <expand macro="mod_option" value="Gln->Glu"/> + <expand macro="mod_option" value="Gln->Gly"/> + <expand macro="mod_option" value="Gln->His"/> + <expand macro="mod_option" value="Gln->Lys"/> + <expand macro="mod_option" value="Gln->Met"/> + <expand macro="mod_option" value="Gln->Phe"/> + <expand macro="mod_option" value="Gln->Pro"/> + <expand macro="mod_option" value="Gln->Ser"/> + <expand macro="mod_option" value="Gln->Thr"/> + <expand macro="mod_option" value="Gln->Trp"/> + <expand macro="mod_option" value="Gln->Tyr"/> + <expand macro="mod_option" value="Gln->Val"/> + <expand macro="mod_option" value="Gln->Xle"/> + <expand macro="mod_option" value="Glu->Ala"/> + <expand macro="mod_option" value="Glu->Arg"/> + <expand macro="mod_option" value="Glu->Asn"/> + <expand macro="mod_option" value="Glu->Asp"/> + <expand macro="mod_option" value="Glu->Cys"/> + <expand macro="mod_option" value="Glu->Gln"/> + <expand macro="mod_option" value="Glu->Gly"/> + <expand macro="mod_option" value="Glu->His"/> + <expand macro="mod_option" value="Glu->Lys"/> + <expand macro="mod_option" value="Glu->Met"/> + <expand macro="mod_option" value="Glu->Phe"/> + <expand macro="mod_option" value="Glu->Pro"/> + <expand macro="mod_option" value="Glu->Ser"/> + <expand macro="mod_option" value="Glu->Thr"/> + <expand macro="mod_option" value="Glu->Trp"/> + <expand macro="mod_option" value="Glu->Tyr"/> + <expand macro="mod_option" value="Glu->Val"/> + <expand macro="mod_option" value="Glu->Xle"/> + <expand macro="mod_option" value="Gly->Ala"/> + <expand macro="mod_option" value="Gly->Arg"/> + <expand macro="mod_option" value="Gly->Asn"/> + <expand macro="mod_option" value="Gly->Asp"/> + <expand macro="mod_option" value="Gly->Cys"/> + <expand macro="mod_option" value="Gly->Gln"/> + <expand macro="mod_option" value="Gly->Glu"/> + <expand macro="mod_option" value="Gly->His"/> + <expand macro="mod_option" value="Gly->Lys"/> + <expand macro="mod_option" value="Gly->Met"/> + <expand macro="mod_option" value="Gly->Phe"/> + <expand macro="mod_option" value="Gly->Pro"/> + <expand macro="mod_option" value="Gly->Ser"/> + <expand macro="mod_option" value="Gly->Thr"/> + <expand macro="mod_option" value="Gly->Trp"/> + <expand macro="mod_option" value="Gly->Tyr"/> + <expand macro="mod_option" value="Gly->Val"/> + <expand macro="mod_option" value="Gly->Xle"/> + <expand macro="mod_option" value="His->Ala"/> + <expand macro="mod_option" value="His->Arg"/> + <expand macro="mod_option" value="His->Asn"/> + <expand macro="mod_option" value="His->Asp"/> + <expand macro="mod_option" value="His->Cys"/> + <expand macro="mod_option" value="His->Gln"/> + <expand macro="mod_option" value="His->Glu"/> + <expand macro="mod_option" value="His->Gly"/> + <expand macro="mod_option" value="His->Lys"/> + <expand macro="mod_option" value="His->Met"/> + <expand macro="mod_option" value="His->Phe"/> + <expand macro="mod_option" value="His->Pro"/> + <expand macro="mod_option" value="His->Ser"/> + <expand macro="mod_option" value="His->Thr"/> + <expand macro="mod_option" value="His->Trp"/> + <expand macro="mod_option" value="His->Tyr"/> + <expand macro="mod_option" value="His->Val"/> + <expand macro="mod_option" value="His->Xle"/> + <expand macro="mod_option" value="Lys->Ala"/> + <expand macro="mod_option" value="Lys->Arg"/> + <expand macro="mod_option" value="Lys->Asn"/> + <expand macro="mod_option" value="Lys->Asp"/> + <expand macro="mod_option" value="Lys->Cys"/> + <expand macro="mod_option" value="Lys->Gln"/> + <expand macro="mod_option" value="Lys->Glu"/> + <expand macro="mod_option" value="Lys->Gly"/> + <expand macro="mod_option" value="Lys->His"/> + <expand macro="mod_option" value="Lys->Met"/> + <expand macro="mod_option" value="Lys->Phe"/> + <expand macro="mod_option" value="Lys->Pro"/> + <expand macro="mod_option" value="Lys->Ser"/> + <expand macro="mod_option" value="Lys->Thr"/> + <expand macro="mod_option" value="Lys->Trp"/> + <expand macro="mod_option" value="Lys->Tyr"/> + <expand macro="mod_option" value="Lys->Val"/> + <expand macro="mod_option" value="Lys->Xle"/> + <expand macro="mod_option" value="Met->Ala"/> + <expand macro="mod_option" value="Met->Arg"/> + <expand macro="mod_option" value="Met->Asn"/> + <expand macro="mod_option" value="Met->Asp"/> + <expand macro="mod_option" value="Met->Cys"/> + <expand macro="mod_option" value="Met->Gln"/> + <expand macro="mod_option" value="Met->Glu"/> + <expand macro="mod_option" value="Met->Gly"/> + <expand macro="mod_option" value="Met->His"/> + <expand macro="mod_option" value="Met->Lys"/> + <expand macro="mod_option" value="Met->Phe"/> + <expand macro="mod_option" value="Met->Pro"/> + <expand macro="mod_option" value="Met->Ser"/> + <expand macro="mod_option" value="Met->Thr"/> + <expand macro="mod_option" value="Met->Trp"/> + <expand macro="mod_option" value="Met->Tyr"/> + <expand macro="mod_option" value="Met->Val"/> + <expand macro="mod_option" value="Met->Xle"/> + <expand macro="mod_option" value="Phe->Ala"/> + <expand macro="mod_option" value="Phe->Arg"/> + <expand macro="mod_option" value="Phe->Asn"/> + <expand macro="mod_option" value="Phe->Asp"/> + <expand macro="mod_option" value="Phe->Cys"/> + <expand macro="mod_option" value="Phe->Gln"/> + <expand macro="mod_option" value="Phe->Glu"/> + <expand macro="mod_option" value="Phe->Gly"/> + <expand macro="mod_option" value="Phe->His"/> + <expand macro="mod_option" value="Phe->Lys"/> + <expand macro="mod_option" value="Phe->Met"/> + <expand macro="mod_option" value="Phe->Pro"/> + <expand macro="mod_option" value="Phe->Ser"/> + <expand macro="mod_option" value="Phe->Thr"/> + <expand macro="mod_option" value="Phe->Trp"/> + <expand macro="mod_option" value="Phe->Tyr"/> + <expand macro="mod_option" value="Phe->Val"/> + <expand macro="mod_option" value="Phe->Xle"/> + <expand macro="mod_option" value="Pro->Ala"/> + <expand macro="mod_option" value="Pro->Arg"/> + <expand macro="mod_option" value="Pro->Asn"/> + <expand macro="mod_option" value="Pro->Asp"/> + <expand macro="mod_option" value="Pro->Cys"/> + <expand macro="mod_option" value="Pro->Gln"/> + <expand macro="mod_option" value="Pro->Glu"/> + <expand macro="mod_option" value="Pro->Gly"/> + <expand macro="mod_option" value="Pro->His"/> + <expand macro="mod_option" value="Pro->Lys"/> + <expand macro="mod_option" value="Pro->Met"/> + <expand macro="mod_option" value="Pro->Phe"/> + <expand macro="mod_option" value="Pro->Ser"/> + <expand macro="mod_option" value="Pro->Thr"/> + <expand macro="mod_option" value="Pro->Trp"/> + <expand macro="mod_option" value="Pro->Tyr"/> + <expand macro="mod_option" value="Pro->Val"/> + <expand macro="mod_option" value="Pro->Xle"/> + <expand macro="mod_option" value="Ser->Ala"/> + <expand macro="mod_option" value="Ser->Arg"/> + <expand macro="mod_option" value="Ser->Asn"/> + <expand macro="mod_option" value="Ser->Asp"/> + <expand macro="mod_option" value="Ser->Cys"/> + <expand macro="mod_option" value="Ser->Gln"/> + <expand macro="mod_option" value="Ser->Glu"/> + <expand macro="mod_option" value="Ser->Gly"/> + <expand macro="mod_option" value="Ser->His"/> + <expand macro="mod_option" value="Ser->Lys"/> + <expand macro="mod_option" value="Ser->Met"/> + <expand macro="mod_option" value="Ser->Phe"/> + <expand macro="mod_option" value="Ser->Pro"/> + <expand macro="mod_option" value="Ser->Thr"/> + <expand macro="mod_option" value="Ser->Trp"/> + <expand macro="mod_option" value="Ser->Tyr"/> + <expand macro="mod_option" value="Ser->Val"/> + <expand macro="mod_option" value="Ser->Xle"/> + <expand macro="mod_option" value="Thr->Ala"/> + <expand macro="mod_option" value="Thr->Arg"/> + <expand macro="mod_option" value="Thr->Asn"/> + <expand macro="mod_option" value="Thr->Asp"/> + <expand macro="mod_option" value="Thr->Cys"/> + <expand macro="mod_option" value="Thr->Gln"/> + <expand macro="mod_option" value="Thr->Glu"/> + <expand macro="mod_option" value="Thr->Gly"/> + <expand macro="mod_option" value="Thr->His"/> + <expand macro="mod_option" value="Thr->Lys"/> + <expand macro="mod_option" value="Thr->Met"/> + <expand macro="mod_option" value="Thr->Phe"/> + <expand macro="mod_option" value="Thr->Pro"/> + <expand macro="mod_option" value="Thr->Ser"/> + <expand macro="mod_option" value="Thr->Trp"/> + <expand macro="mod_option" value="Thr->Tyr"/> + <expand macro="mod_option" value="Thr->Val"/> + <expand macro="mod_option" value="Thr->Xle"/> + <expand macro="mod_option" value="Trp->Ala"/> + <expand macro="mod_option" value="Trp->Arg"/> + <expand macro="mod_option" value="Trp->Asn"/> + <expand macro="mod_option" value="Trp->Asp"/> + <expand macro="mod_option" value="Trp->Cys"/> + <expand macro="mod_option" value="Trp->Gln"/> + <expand macro="mod_option" value="Trp->Glu"/> + <expand macro="mod_option" value="Trp->Gly"/> + <expand macro="mod_option" value="Trp->His"/> + <expand macro="mod_option" value="Trp->Lys"/> + <expand macro="mod_option" value="Trp->Met"/> + <expand macro="mod_option" value="Trp->Phe"/> + <expand macro="mod_option" value="Trp->Pro"/> + <expand macro="mod_option" value="Trp->Ser"/> + <expand macro="mod_option" value="Trp->Thr"/> + <expand macro="mod_option" value="Trp->Tyr"/> + <expand macro="mod_option" value="Trp->Val"/> + <expand macro="mod_option" value="Trp->Xle"/> + <expand macro="mod_option" value="Tyr->Ala"/> + <expand macro="mod_option" value="Tyr->Arg"/> + <expand macro="mod_option" value="Tyr->Asn"/> + <expand macro="mod_option" value="Tyr->Asp"/> + <expand macro="mod_option" value="Tyr->Cys"/> + <expand macro="mod_option" value="Tyr->Gln"/> + <expand macro="mod_option" value="Tyr->Glu"/> + <expand macro="mod_option" value="Tyr->Gly"/> + <expand macro="mod_option" value="Tyr->His"/> + <expand macro="mod_option" value="Tyr->Lys"/> + <expand macro="mod_option" value="Tyr->Met"/> + <expand macro="mod_option" value="Tyr->Phe"/> + <expand macro="mod_option" value="Tyr->Pro"/> + <expand macro="mod_option" value="Tyr->Ser"/> + <expand macro="mod_option" value="Tyr->Thr"/> + <expand macro="mod_option" value="Tyr->Trp"/> + <expand macro="mod_option" value="Tyr->Val"/> + <expand macro="mod_option" value="Tyr->Xle"/> + <expand macro="mod_option" value="Val->Ala"/> + <expand macro="mod_option" value="Val->Arg"/> + <expand macro="mod_option" value="Val->Asn"/> + <expand macro="mod_option" value="Val->Asp"/> + <expand macro="mod_option" value="Val->Cys"/> + <expand macro="mod_option" value="Val->Gln"/> + <expand macro="mod_option" value="Val->Glu"/> + <expand macro="mod_option" value="Val->Gly"/> + <expand macro="mod_option" value="Val->His"/> + <expand macro="mod_option" value="Val->Lys"/> + <expand macro="mod_option" value="Val->Met"/> + <expand macro="mod_option" value="Val->Phe"/> + <expand macro="mod_option" value="Val->Pro"/> + <expand macro="mod_option" value="Val->Ser"/> + <expand macro="mod_option" value="Val->Thr"/> + <expand macro="mod_option" value="Val->Trp"/> + <expand macro="mod_option" value="Val->Tyr"/> + <expand macro="mod_option" value="Val->Xle"/> + <expand macro="mod_option" value="Xle->Ala"/> + <expand macro="mod_option" value="Xle->Arg"/> + <expand macro="mod_option" value="Xle->Asn"/> + <expand macro="mod_option" value="Xle->Asp"/> + <expand macro="mod_option" value="Xle->Cys"/> + <expand macro="mod_option" value="Xle->Gln"/> + <expand macro="mod_option" value="Xle->Glu"/> + <expand macro="mod_option" value="Xle->Gly"/> + <expand macro="mod_option" value="Xle->His"/> + <expand macro="mod_option" value="Xle->Lys"/> + <expand macro="mod_option" value="Xle->Met"/> + <expand macro="mod_option" value="Xle->Phe"/> + <expand macro="mod_option" value="Xle->Pro"/> + <expand macro="mod_option" value="Xle->Ser"/> + <expand macro="mod_option" value="Xle->Thr"/> + <expand macro="mod_option" value="Xle->Trp"/> + <expand macro="mod_option" value="Xle->Tyr"/> + <expand macro="mod_option" value="Xle->Val"/> + <expand macro="mod_option" value="CamCys->Ala"/> + <expand macro="mod_option" value="CamCys->Arg"/> + <expand macro="mod_option" value="CamCys->Asn"/> + <expand macro="mod_option" value="CamCys->Asp"/> + <expand macro="mod_option" value="CamCys->Gln"/> + <expand macro="mod_option" value="CamCys->Glu"/> + <expand macro="mod_option" value="CamCys->Gly"/> + <expand macro="mod_option" value="CamCys->His"/> + <expand macro="mod_option" value="CamCys->Lys"/> + <expand macro="mod_option" value="CamCys->Met"/> + <expand macro="mod_option" value="CamCys->Phe"/> + <expand macro="mod_option" value="CamCys->Pro"/> + <expand macro="mod_option" value="CamCys->Ser"/> + <expand macro="mod_option" value="CamCys->Thr"/> + <expand macro="mod_option" value="CamCys->Trp"/> + <expand macro="mod_option" value="CamCys->Tyr"/> + <expand macro="mod_option" value="CamCys->Val"/> + <expand macro="mod_option" value="CamCys->Xle"/> + <expand macro="mod_option" value="Ala->CamCys"/> + <expand macro="mod_option" value="Arg->CamCys"/> + <expand macro="mod_option" value="Asn->CamCys"/> + <expand macro="mod_option" value="Asp->CamCys"/> + <expand macro="mod_option" value="Gln->CamCys"/> + <expand macro="mod_option" value="Glu->CamCys"/> + <expand macro="mod_option" value="Gly->CamCys"/> + <expand macro="mod_option" value="His->CamCys"/> + <expand macro="mod_option" value="Lys->CamCys"/> + <expand macro="mod_option" value="Met->CamCys"/> + <expand macro="mod_option" value="Phe->CamCys"/> + <expand macro="mod_option" value="Pro->CamCys"/> + <expand macro="mod_option" value="Ser->CamCys"/> + <expand macro="mod_option" value="Thr->CamCys"/> + <expand macro="mod_option" value="Trp->CamCys"/> + <expand macro="mod_option" value="Tyr->CamCys"/> + <expand macro="mod_option" value="Val->CamCys"/> + <expand macro="mod_option" value="Xle->CamCys"/> + <expand macro="mod_option" value="Cysteinyl"/> + <expand macro="mod_option" value="Cysteinyl - carbamidomethyl"/> + </xml> + <xml name="label"> + <expand macro="mod_option" value="Arg6"/> + <expand macro="mod_option" value="Arg10"/> + <expand macro="mod_option" value="Lys4"/> + <expand macro="mod_option" value="Lys6"/> + <expand macro="mod_option" value="Lys8"/> + <expand macro="mod_option" value="DimethLys0"/> + <expand macro="mod_option" value="DimethNter0"/> + <expand macro="mod_option" value="DimethLys4"/> + <expand macro="mod_option" value="DimethNter4"/> + <expand macro="mod_option" value="DimethLys8"/> + <expand macro="mod_option" value="DimethNter8"/> + <expand macro="mod_option" value="18O"/> + <expand macro="mod_option" value="ICAT-0"/> + <expand macro="mod_option" value="ICAT-9"/> + <expand macro="mod_option" value="ICPL-Lys0"/> + <expand macro="mod_option" value="ICPL-Nter0"/> + <expand macro="mod_option" value="ICPL-Lys4"/> + <expand macro="mod_option" value="ICPL-Nter4"/> + <expand macro="mod_option" value="ICPL-Lys6"/> + <expand macro="mod_option" value="ICPL-Nter6"/> + <expand macro="mod_option" value="ICPL-Lys10"/> + <expand macro="mod_option" value="ICPL-Nter10"/> + <expand macro="mod_option" value="mTRAQ-Lys0"/> + <expand macro="mod_option" value="mTRAQ-Nter0"/> + <expand macro="mod_option" value="mTRAQ-Lys4"/> + <expand macro="mod_option" value="mTRAQ-Nter4"/> + <expand macro="mod_option" value="mTRAQ-Lys8"/> + <expand macro="mod_option" value="mTRAQ-Nter8"/> + <expand macro="mod_option" value="DimethLys2"/> + <expand macro="mod_option" value="DimethNter2"/> + <expand macro="mod_option" value="DimethLys6"/> + <expand macro="mod_option" value="DimethNter6"/> + <expand macro="mod_option" value="Leu7"/> + <expand macro="mod_option" value="Ile7"/> + </xml> + <xml name="proteases"> + <expand macro="mod_option" value="Trypsin"/> + <expand macro="mod_option" value="Trypsin/P"/> + <expand macro="mod_option" value="LysC"/> + <expand macro="mod_option" value="LysC/P"/> + <expand macro="mod_option" value="D.P"/> + <expand macro="mod_option" value="ArgC"/> + <expand macro="mod_option" value="AspC"/> + <expand macro="mod_option" value="GluC"/> + <expand macro="mod_option" value="GluN"/> + <expand macro="mod_option" value="AspN"/> + <expand macro="mod_option" value="LysN"/> + <expand macro="mod_option" value="Chymotrypsin+"/> + <expand macro="mod_option" value="Chymotrypsin"/> + </xml> +</macros> +
--- a/maxquant.xml Fri May 10 17:22:51 2013 -0400 +++ b/maxquant.xml Sat Jul 20 05:01:05 2019 -0400 @@ -1,331 +1,364 @@ -<tool id="maxquant" version="0.1.0" name="MaxQuant"> - <description> - </description> - <requirements> - <requirement>maxquant</requirement> - <requirement type="platform">windows</requirement> - </requirements> - <configfiles> - <configfile name="inputs_config">##Describe inputs -#set $type = str($analysis_type.type) -#if $type == "single" -#set $groups = [$analysis_type] -#elif $type == "multi_same" -#set $groups = $analysis_type.groups -#end if -#for $i, $group in enumerate($groups) -num:${str(i + 1)} -#for $input in $group.inputs -name:${input.display_name} -path:${input} -#end for -#end for -</configfile> - </configfiles> - <command interpreter="python">maxquant_wrapper.py - --input_groups=$inputs_config - --database="${database}" - --database_name="${database.name}" - --protease=$analysis_type.protease - --first_search_tol=$analysis_type.first_search_tol - --main_search_tol=$analysis_type.main_search_tol - --max_missed_cleavages=$analysis_type.max_missed_cleavages - --max_n_mods=$analysis_type.max_n_mods - --variable_mods="${analysis_type.variable_modifications or ''}" - #if $analysis_type.advanced_group_parameters.specify - --do_mass_filtering=$analysis_type.advanced_group_parameters.do_mass_filtering - --max_charge=$analysis_type.advanced_group_parameters.max_charge +<tool id="maxquant" name="MaxQuant" version="@VERSION@"> + <macros> + <import>macros.xml</import> + </macros> + <requirements> + <requirement type="package" version="@VERSION@">maxquant</requirement> + <requirement type="package" version="3.7">python</requirement> + </requirements> + <command detect_errors="exit_code"><![CDATA[ + #import re + + python3 '$__tool_directory__/mqwrapper.py' + --num_threads=\${GALAXY_SLOTS:-1} + --substitution_rx='@SUBSTITUTION_RX@' + #if $input_opts.infile.select == "mzxml_files" + --mzxml_files='$input_opts.infile.mzxml_files' + #set names = ','.join([re.sub('@SUBSTITUTION_RX@', '_', str($name.element_identifier)) for $name in $input_opts.infile.mzxml_files]) + #else + --raw_files='$input_opts.infile.raw_files' + #set names = ','.join([re.sub('@SUBSTITUTION_RX@', '_', str($name.element_identifier)) for $name in $input_opts.infile.raw_files]) + #end if + --infile_names='$names' + --version='@VERSION@' + --fasta_files='$input_opts.fasta_files' + --identifier_parse_rule='$input_opts.identifier_parse_rule' + --description_parse_rule='$input_opts.description_parse_rule' + + --exp_design='$search_opts.template' + --missed_cleavages=$search_opts.missed_cleavages + --min_peptide_len=$search_opts.min_peptide_len + --max_peptide_mass=$search_opts.max_peptide_mass + --min_unique_pep=$search_opts.min_unique_pep + $search_opts.calc_peak_properties + $search_opts.match_between_runs + #if $search_opts.fixed_mods + --fixed_mods='$search_opts.fixed_mods' + #end if + #if $search_opts.var_mods + --var_mods='$search_opts.var_mods' + #end if + #if $search_opts.proteases + --proteases='$search_opts.proteases' + #end if + #if $search_opts.silac.light_mods + --light_mods='$search_opts.silac.light_mods' #end if - #set $run = $analysis_type.run - #set $lcms_run_type = $run.lcms_run_type - --lcms_run_type=$lcms_run_type - #if str($lcms_run_type) != "3" - ## i.e. is not reporter ion type - #if $run.labels_conditional.labeled - #for $label_group in $run.labels_conditional.label_groups - --labels="${label_group.labels or ''}" - #end for - --max_labeled_aa=$run.labels_conditional.max_labeled_aa + #if $search_opts.silac.medium_mods + --medium_mods='$search_opts.silac.medium_mods' + #end if + #if $search_opts.silac.heavy_mods + --heavy_mods='$search_opts.silac.heavy_mods' #end if - #else - --reporter_type=$run.reporter_type - #end if - #set $sp = $advanced_sequence_parameters - #if $sp.specify - --include_contamiants=${str(sp['include_contamiants']).lower()} - --equal_il=${str(sp['equal_il']).lower()} - --randomize=${str(sp['randomize'])} + #if $search_opts.lfq.do_lfq == "--lfq_mode=1" + $search_opts.lfq.do_lfq.lfq_mode + --lfq_min_ratio_count=$search_opts.lfq.do_lfq.lfq_min_ratio_count + --lfq_min_edges_per_node=$search_opts.lfq.do_lfq.lfq_min_edges_per_node + --lfq_avg_edges_per_node=$search_opts.lfq.do_lfq.lfq_avg_edges_per_node + $search_opts.lfq.do_lfq.lfq_skip_norm + $search_opts.lfq.do_lfq.separate_lfq + $search_opts.lfq.do_lfq.lfq_stabilize_large_ratios + $search_opts.lfq.do_lfq.lfq_require_msms + #if $search_opts.lfq.do_lfq.do_ibaq == "--ibaq" + $search_opts.lfq.do_lfq.do_ibaq.ibaq + $search_opts.lfq.do_lfq.do_ibaq.ibaq_log_fit + #end if + $search_opts.lfq.do_lfq.advanced_site_intensities #end if - #if $quantification.specify - #set $restrict = $quantification.restrict.restrict_protein_quantification - --restrict_protein_quantification=${str(restrict).lower()} - #if $quantification.restrict.restrict_protein_quantification - --restrict_mods="${quantification.restrict.restrict_modifications or ''}" - #end if - --quant_mode=$quantification.quant_mode - --use_counterparts=$quantification.use_counterparts - --min_ratio_count=$quantification.min_ratio_count + + $output_opts.write_mztab + --evidence='$evidence' + --msms='$msms' + --parameters='$parameters' + --peptides='$peptides' + --proteinGroups='$proteinGroups' + --allPeptides='$allPeptides' + --libraryMatch='$libraryMatch' + --matchedFeatures='$matchedFeatures' + --modificationSpecificPeptides='$modificationSpecificPeptides' + --ms3Scans='$ms3Scans' + --msmsScans='$msmsScans' + --mzRange='$mzRange' + --peptideSection='$peptideSection' + --summary='$summary' + --mzTab='$mzTab' + --mqpar_out='$mqpar_out' + + #if 'log' in $output_opts.output + > '$log' #end if - #if $site_quantification.specify - --site_quant_mode=$site_quantification.site_quant_mode - --use_norm_ratios_for_occupancy=$site_quantification.use_norm_ratios_for_occupancy - #end if - #set $identification_type = str($identification.options_type) - #if $identification_type != "none" - --protein_fdr=$identification.protein_fdr - --peptide_fdr=$identification.peptide_fdr - --site_fdr=$identification.site_fdr - #if $identification_type != "simple" - --peptide_pep=$identification.peptide_pep - #end if - #end if - #if $misc.specify - --re_quantify="$misc.re_quantify" + #if 'output_all' in $output_opts.output + && tar -zcf '$output_all' ./combined/txt #end if - --fixed_mods="${fixed_modifications or ''}" - --output_protein_groups=$output_protein_groups - --output_peptides=$output_peptides - --output_evidence=$output_evidence - --output_parameters=$output_parameters - --output_msms=$output_msms - --output_mqpar=$output_mqpar - </command> - <macros> - <macro name="input_param"> - <param format="raw" multiple="true" name="inputs" type="data" label="RAW Inputs" help="" /> - </macro> - <macro name="mod_opts"> - <options from_file="maxquant_mods.loc"> - <column name="name" index="0"/> - <column name="value" index="0" /> - </options> - <sanitizer> - <valid> - <add value="<"/> - <add value=">"/> - <add value="["/> - <add value="]"/> - </valid> - </sanitizer> - </macro> - <macro name="protease_opts"> - <options from_file="maxquant_proteases.loc"> - <column name="name" index="0"/> - <column name="value" index="0" /> - </options> - </macro> - <macro name="group_params"> - <param name="protease" label="Enzyme" type="select"> - <expand macro="protease_opts" /> - </param> - <param name="first_search_tol" label="First Search Tolerance (ppm)" type="float" value="20" /> - <param name="main_search_tol" label="Main Search Tolerance (ppm)" type="float" value="6" /> - <param name="max_n_mods" type="integer" label="Maximum Number of Modifications per Peptide" value="5" /> - <param name="max_missed_cleavages" type="integer" label="Maximum Number of Missed Cleavages" value="2" /> - <param name="variable_modifications" label="Variable Modifications" type="select" multiple="true"> - <expand macro="mod_opts" /> - </param> - <conditional name="run"> - <param name="lcms_run_type" type="select" label="Run Type"> - <option value="0">Standard</option> - <option value="2">All ion fragmentation</option> - <option value="3">Reporter ion</option> - </param> - <when value="0"> - <expand macro="labels" /> - </when> - <when value="2"> - <expand macro="labels" /> - </when> - <when value="3"> - <expand macro="reporter" /> - </when> - </conditional> - <conditional name="advanced_group_parameters"> - <param name="specify" type="boolean" label="Specify Advanced Group Parameters" checked="false" /> - <when value="false"> - </when> - <when value="true"> - <param name="do_mass_filtering" type="boolean" label="Individual Peptide Mass Tolerances" checked="true" truevalue="true" falsevalue="false" /> - <param name="max_charge" type="integer" label="Maximum Charge" value="7" /> - <!-- - TODO: First charge protease, first charge mods. - --> - </when> - </conditional> - </macro> - <macro name="labels"> - <conditional name="labels_conditional"> - <param name="labeled" type="boolean" label="Specify Labels" checked="false" /> - <when value="false"> - </when> - <when value="true"> - <repeat name="label_groups" title="Label Groups"> - <param name="labels" type="select" title="Labels" multiple="true" help="Select none to describe unlabelled 'light labels'."> - <option value="Arg6">Arg6</option> - <option value="Arg10">Arg10</option> - <option value="Lys4">Lys4</option> - <option value="Lys6">Lys6</option> - <option value="Lys8">Lys8</option> + ]]></command> + <inputs> + <section name="input_opts" title="Input Options" expanded="True"> + <conditional name="infile"> + <param name="select" type="select" label="choose the type of your input files"> + <option value="raw_files">Thermo.raw</option> + <option value="mzxml_files">mzXML</option> + </param> + <when value="raw_files"> + <param multiple="true" name="raw_files" type="data" + format="thermo.raw" label="RAW Files" + help="Specify one or more Thermo RAW files" /> + </when> + <when value="mzxml_files"> + <param multiple="true" name="mzxml_files" type="data" + format="mzxml" label="mzXML Files" + help="Specify one or more mzXML files" /> + </when> + </conditional> + <param format="fasta" multiple="true" name="fasta_files" + type="data" label="FASTA files" + help="Specify one or more FASTA databases." /> + <param name="identifier_parse_rule" type="text" + label="identifier parse rule" value="^>.*\|(.*)\|.*$"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + </valid> + </sanitizer> + </param> + <param name="description_parse_rule" type="text" + label="description parse rule" value="^>.*\|.*\|[^ ]+ (.*) OS.*$" + help="Modify parse rules if needed"> + <sanitizer> + <valid initial="string.printable"> + <remove value="'"/> + </valid> + </sanitizer> + </param> + </section> + + <section name="search_opts" title="Search Options" expanded="true"> + <param format="tabular" name="template" type="data" optional="true" + label="Specify an experimental design template (if needed). For detailed + instructions see the help text." /> + <param type="integer" name="missed_cleavages" + label="missed cleavages" value="1"/> + <param type="integer" name="min_peptide_len" + label="minimum peptide length" value="7"/> + <param type="integer" name="max_peptide_mass" + label="maximum peptide mass" value="4600"/> + <param type="integer" name="min_unique_pep" + label="minimum unique peptides" value="1" /> + <param name="calc_peak_properties" type="boolean" checked="false" + label="Calculate peak properties?" + truevalue="--calc_peak_properties" falsevalue="" /> + <param name="match_between_runs" type="boolean" checked="false" + label="Match between runs?" + truevalue="--match_between_runs" falsevalue="" /> + <param name="fixed_mods" type="select" label="fixed modifications" + multiple="true" help="select zero or more fixed modifications"> + <expand macro="modification"/> </param> - </repeat> - <param name="max_labeled_aa" type="integer" title="Max Labeled Amino Acids" value="3" /> - </when> - </conditional> - </macro> - <macro name="reporter"> - <param name="reporter_type" type="select" label="Reporter Ions Type"> - <option value="itraq_4plex">4-plex iTRAQ</option> - <option value="itraq_8plex">8-plex iTRAQ</option> - <option value="tmt_2plex">2-plex TMT</option> - <option value="tmt_6plex">6-plex TMT</option> - </param> - </macro> - <macro name="advanced_group_conditional"> + <param name="var_mods" type="select" label="variable modifications" + multiple="true" help="select zero or more variable modifications"> + <expand macro="modification"/> + </param> + <param name="proteases" type="select" label="proteases" + multiple="true" help="select zero or more proteases"> + <expand macro="proteases"/> + </param> + <section title="label based quantitation" name="silac" expanded="false"> + <param name="light_mods" type="select" label="light labels" + multiple="true" help="select zero or more light modifications"> + <expand macro="label"/> + </param> + <param name="medium_mods" type="select" label="medium labels" + multiple="true" help="select zero or more medium modifications"> + <expand macro="label"/> + </param> + <param name="heavy_mods" type="select" label="heavy labels" + multiple="true" help="select zero or more heavy modifications"> + <expand macro="label"/> + </param> + </section> + <section title="label free quantification" name="lfq" expanded="false"> + <conditional name="do_lfq"> + <param name="lfq_mode" type="select" label="Perform LFQ?"> + <option value="">No</option> + <option value="--lfq_mode=1">Yes</option> + </param> + <when value="--lfq_mode=1"> + <param type="integer" name="lfq_min_ratio_count" + label="LFQ minimum ratio count" value="2"/> + <param type="integer" name="lfq_min_edges_per_node" + label="LFQ minimum number of neighbours" value="3"/> + <param type="integer" name="lfq_avg_edges_per_node" + label="LFQ average number of neighbours" value="6"/> + <param name="lfq_skip_norm" type="boolean" checked="false" + label="Skip normalization?" + truevalue="--lfq_skip_norm" falsevalue="" /> + <param name="separate_lfq" type="boolean" checked="false" + label="Separate LFQ in parameter Groups?" + truevalue="--separate_lfq" falsevalue="" /> + <param name="lfq_stabilize_large_ratios" type="boolean" checked="true" + label="Stabilize large LFQ ratios?" + truevalue="--lfq_stabilize_large_ratios" falsevalue="" /> + <param name="lfq_require_msms" type="boolean" checked="true" + label="Require MS/MS for LFQ comparisons?" + truevalue="--lfq_require_msms" falsevalue="" /> + <conditional name="do_ibaq"> + <param name="ibaq" type="select" label="iBAQ?"> + <option value="">No</option> + <option value="--ibaq">Yes</option> + </param> + <when value="--ibaq"> + <param name="ibaq_log_fit" type="boolean" checked="true" + label="Logarithmic fit?" + truevalue="--ibaq_log_fit" falsevalue="" /> + </when> + <when value=""> + </when> + </conditional> + <param name="advanced_site_intensities" type="boolean" checked="true" + label="Advanced site intensities?" + truevalue="--advanced_site_intensities" falsevalue="" /> + </when> + <when value=""> + </when> + </conditional> + </section> + </section> - </macro> - <macro name="advanced_sequences_conditional"> - <conditional name="advanced_sequence_parameters"> - <param name="specify" type="boolean" label="Specify Advanced Sequence Parameters" checked="false" /> - <when value="false"> - </when> - <when value="true"> - <param name="include_contamiants" type="boolean" label="Include Contamiant Sequences" checked="true" /> - <param name="equal_il" type="boolean" label="I = L" checked="false" /> - <param name="randomize" type="select" label="Decoy Type"> - <option value="false" selected="true">Reverse</option> - <option value="true">Randomize</option> - </param> - <!-- TODO: special_aas, KR --> - </when> - </conditional> - </macro> - <macro name="identification_conditional"> - <conditional name="identification"> - <param name="options_type" type="select" label="Specify Identification Parameters"> - <option value="none">None, use all defaults.</option> - <option value="simple">Simple, specify a few high level parameters.</option> - <option value="advanced">Advanced, specify many identification parameters.</option> - </param> - <when value="none"> - </when> - <when value="simple"> - <expand macro="simple_identification_params" /> - </when> - <when value="advanced"> - <expand macro="simple_identification_params" /> - <expand macro="advanced_identification_params" /> - </when> - </conditional> - </macro> - <macro name="site_quantification_conditional"> - <conditional name="site_quantification"> - <param name="specify" type="boolean" label="Specify Advanced Site Quantification Parameters" checked="false" /> - <when value="false"> - </when> - <when value="true"> - <param name="site_quant_mode" type="select" label="Site Quantification Mode"> - <!-- TODO verify values --> - <option value="0" selected="true">Use least modified peptides</option> - <option value="1">Use largest change</option> - </param> - <param name="use_norm_ratios_for_occupancy" type="boolean" label="Use normalized Ratios for Occupancy" truevalue="true" falsevalue="false" checked="true"/> - </when> - </conditional> - </macro> - <macro name="protein_quantification_conditional"> - <conditional name="quantification"> - <param name="specify" type="boolean" label="Specify Advanced Protein Quantification Parameters" checked="false" /> - <when value="false"> - </when> - <when value="true"> - <conditional name="restrict"> - <param name="restrict_protein_quantification" type="boolean" label="Restrict Protein Quantification" checked="true" help="to unmodified peptides and those with certain modifications."/> - <when value="false"> - </when> - <when value="true"> - <param name="restrict_modifications" label="Modifications for Quantification" type="select" help="If advanced protein quantification parameters is not selected these default to Oxidation (M) and Actetyl (Protein N-term), but they must be selected (if desired) in this mode." multiple="true"> - <expand macro="mod_opts" /> - </param> - </when> - </conditional> - <param name="quant_mode" type="select" label="Protein Quantification Mode"> - <option value="0">Use all peptides</option> - <option value="1" selected="true">Use razor and unique peptides</option> - <option value="2">Use unique peptides</option> - </param> - <param name="use_counterparts" type="boolean" label="Discard Unmodified Counterpart Peptides." checked="true" truevalue="false" falsevalue="true" /> - <param name="min_ratio_count" label="Minimum Ratio Count" value="2" type="integer" /> - </when> - </conditional> - </macro> - <macro name="simple_identification_params"> - <param name="protein_fdr" label="Protein FDR" value="0.01" type="float" /> - <param name="peptide_fdr" label="Peptide FDR" value="0.01" type="float" /> - <param name="site_fdr" label="Protein FDR" value="0.01" type="float" /> - </macro> - <macro name="advanced_identification_params"> - <param name="peptide_pep" label="Max Peptide PEP" value="1" type="float" /> - <!-- TODO: Apply site FDR seperately (boolean), Min peptides, Min Score, - min peptide length, min razor + unique peptides, filter labeled aa, - min unique peptides, second peptides (boolean true) --> - </macro> - <macro name="misc_conditional"> - <conditional name="misc"> - <param name="specify" type="boolean" label="Specify Misc Parameters" checked="false" /> - <when value="false"> - </when> - <when value="true"> - <param name="re_quantify" type="boolean" label="Re-quantify" checked="true" truevalue="true" falsevalue="false" /> - <!-- - "Keep low-scoring versions of identified peptides" 0 = No, 1 only within parameters groups, 2 = Also between parameter groups. - Match Between Runs: bool - Time window (minutes): 2 - Label-free quantification: - LFO min ratio count 2 - Fast LFQ - iBAQ - Log fit - --> - </when> - </conditional> - </macro> - </macros> - <inputs> - <conditional name="analysis_type"> - <param name="type" type="select" value="single" help="The wrapper has not yet implemented multiple groups with different parameters"> - <option value="single">Single Group</option> - <option value="multi_same">Multi-Group Identical Parameters</option> - </param> - <when value="multi_same"> - <repeat name="groups"> - <expand macro="input_param" /> - </repeat> - <expand macro="group_params" /> - </when> - <when value="single"> - <expand macro="input_param" /> - <expand macro="group_params" /> - </when> - </conditional> - <param format="fasta" name="database" type="data" label="FASTA Database" help="" /> - <expand macro="advanced_sequences_conditional" /> - <param name="fixed_modifications" label="Fixed Modifications" type="select" multiple="true"> - <expand macro="mod_opts" /> - </param> - <expand macro="identification_conditional" /> - <expand macro="protein_quantification_conditional" /> - <expand macro="site_quantification_conditional" /> - <expand macro="misc_conditional" /> - </inputs> - <outputs> - <data format="tabular" name="output_protein_groups" label="MaxQuant Protein Groups for ${on_string}"/> - <data format="tabular" name="output_peptides" label="MaxQuant Peptides for ${on_string}"/> - <data format="tabular" name="output_evidence" label="MaxQuant Evidence for ${on_string}"/> - <data format="tabular" name="output_parameters" label="MaxQuant Tabular Parameters for ${on_string}"/> - <data format="tabular" name="output_msms" label="MaxQuant MSMS for ${on_string}"/> - <data format="tabular" name="output_mqpar" label="MaxQuant Parameters XML for ${on_string}"/> - </outputs> - <help> - </help> + <section title="Output Options" name="output_opts" expanded="true"> + <param name="write_mztab" type="boolean" checked="false" + label="Write mztab file?" + truevalue="--write_mztab" falsevalue="" /> + <param type="select" name="output" label="Select the desired outputs." + multiple="true" optional="false"> + <expand macro="output_option" name="proteinGroups" label="Protein Groups"/> + <expand macro="output_option" name="mqpar_out" label="mqpar.xml"/> + <expand macro="output_option" name="peptides" label="Peptides"/> + <expand macro="output_option" name="evidence" label="Evidence"/> + <expand macro="output_option" name="parameters" label="Tabular Paramters"/> + <expand macro="output_option" name="msms" label="MSMS"/> + <expand macro="output_option" name="mzTab" label="mzTab"/> + <expand macro="output_option" name="allPeptides" label="all peptides"/> + <expand macro="output_option" name="libraryMatch" label="library match"/> + <expand macro="output_option" name="matchedFeatures" label="matched features"/> + <expand macro="output_option" name="modificationSpecificPeptides" label="modification specific peptides"/> + <expand macro="output_option" name="ms3Scans" label="ms3 scans"/> + <expand macro="output_option" name="msmsScans" label="msms scans"/> + <expand macro="output_option" name="mzRange" label="mz range"/> + <expand macro="output_option" name="peptideSection" label="peptide section"/> + <expand macro="output_option" name="summary" label="summary"/> + <expand macro="output_option" name="output_all" label="complete 'combined/txt/' directory (compressed)"/> + <expand macro="output_option" name="log" label="MaxQuant log"/> + </param> + </section> + </inputs> + + <outputs> + <expand macro="output" name="proteinGroups" label="MaxQuant Protein Groups"/> + <expand macro="output" name="mqpar_out" label="mqpar.xml" format="xml"/> + <expand macro="output" name="peptides" label="MaxQuant Peptides"/> + <expand macro="output" name="evidence" label="MaxQuant Evidence"/> + <expand macro="output" name="parameters" label="MaxQuant Tabular Parameters"/> + <expand macro="output" name="msms" label="MaxQuant MSMS"/> + <expand macro="output" name="mzTab" label="mzTab"/> + <expand macro="output" name="allPeptides" label="all peptides"/> + <expand macro="output" name="libraryMatch" label="library match"/> + <expand macro="output" name="matchedFeatures" label="matched features"/> + <expand macro="output" name="modificationSpecificPeptides" label="modification specific peptides"/> + <expand macro="output" name="ms3Scans" label="ms3 scans"/> + <expand macro="output" name="msmsScans" label="msms Scans"/> + <expand macro="output" name="mzRange" label="mz range"/> + <expand macro="output" name="peptideSection" label="peptide section"/> + <expand macro="output" name="summary" label="MaxQuant summary"/> + <expand macro="output" format="tar" name="output_all" label="'combined/txt/' directory"/> + <expand macro="output" name="log" format="txt" label="log"/> + </outputs> + + <tests> + <test> + <param name="select" value="mzxml_files" /> + <param name="mzxml_files" value="BSA_min_23.mzXML" /> + <param name="fasta_files" value="bsa.fasta" /> + <param name="identifier_parse_rule" value=">([^\s]*)" /> + <param name="description_parse_rule" value=">(.*)" /> + <param name="min_unique_pep" value="0" /> + <param name="fixed_mods" value="Carbamidomethyl (C)" /> + <param name="var_mods" value="Oxidation (M)" /> + <param name="proteases" value="Trypsin/P" /> + <param name="write_mztab" value="true" /> + <param name="output" value="evidence,msms,allPeptides,msmsScans,mzTab,mzRange,parameters,peptides,peptideSection,proteinGroups,summary,modificationSpecificPeptides" /> + <output name="evidence" file="single/combined/txt/evidence.txt" /> + <output name="msms" file="single/combined/txt/msms.txt" /> + <output name="mzTab" file="single/combined/txt/mzTab.mzTab" lines_diff="4"/> + <output name="allPeptides" file="single/combined/txt/allPeptides.txt" /> + <output name="msmsScans" file="single/combined/txt/msmsScans.txt" /> + <output name="mzRange" file="single/combined/txt/mzRange.txt" /> + <output name="parameters" file="single/combined/txt/parameters.txt" lines_diff="10"/> + <output name="peptides" file="single/combined/txt/peptides.txt" /> + <output name="peptideSection" file="single/combined/txt/peptideSection.txt" /> + <output name="proteinGroups" file="single/combined/txt/proteinGroups.txt" /> + <output name="summary" file="single/combined/txt/summary.txt" /> + <output name="modificationSpecificPeptides" file="single/combined/txt/modificationSpecificPeptides.txt" /> + </test> + </tests> + + <help><![CDATA[ +MaxQuant is a quantitative proteomics software package designed for analyzing large mass-spectrometric data sets. + +This tool is a wrapper for MaxQuant v@VERSION@. The current version of the wrapper only supports a very reduced set of search parameters, but another version of the tool that gets its parameters directly from a mqpar.xml file is available, too. If possible, this tool should be preferred. + +**Input files** + +- Thermo raw file or mzXML file + - The datatype has to be 'thermo.raw' or 'mzXML'. Make sure to specify the correct datatype either during upload to Galaxy or afterwards (edit attributes --> datatypes) +- Optional files: + - Tabular file with experimental design template: + - Currently four columns are needed: Name, Fraction, Experiment and PTM. The headers must have this exact naming. Name and Fraction are abitrary strings, Experiment is an integer, PTM is either True or False. + + :: + + Name Fraction Experiment PTM + File1 1 E1 False + File2 2 E1 False + File3 3 E1 False + ... + ... + +**Parameter Options** + +- Quantification options + - label based: + - for two channels: choose options from light and heavy sections, for three channels choose options from light, medium and heavy sections + - label-free + +**Output files** + +Different output file options are available, most of them are part of the MaxQuant txt directory. + ]]></help> + <citations> + <citation type="bibtex"> + @article{cox2008maxquant, + title={MaxQuant enables high peptide identification rates, individualized + ppb-range mass accuracies and proteome-wide protein quantification}, + author={Cox, J{\"u}rgen and Mann, Matthias}, + journal={Nature biotechnology}, + volume={26}, + number={12}, + pages={1367}, + year={2008}, + publisher={Nature Publishing Group} + } + </citation> + <citation type="bibtex"> + @article{tyanova2016maxquant, + title={The MaxQuant computational platform for mass + spectrometry-based shotgun proteomics}, + author={Tyanova, Stefka and Temu, Tikira and Cox, J{\"u}rgen}, + journal={Nature protocols}, + volume={11}, + number={12}, + pages={2301}, + year={2016}, + publisher={Nature Publishing Group} + } + </citation> + </citations> </tool>
--- a/maxquant_mods.loc Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,1234 +0,0 @@ -Acetyl (K) -Acetyl (Protein N-term) -Carbamidomethyl (C) -Oxidation (M) -Phospho (STY) -GlyGly (K) -Methyl (KR) -Dimethyl (KR) -Trimethyl (K) -Pro5 -Pro6 -Glu->pyro-Glu -Gln->pyro-Glu -OHexNAc -QQTGG (K) -Deamidation (N) -Deamidation 18O (N) -Deamidation (NQ) -Ala->Arg -Ala->Asn -Ala->Asp -Ala->Cys -Ala->Gln -Ala->Glu -Ala->Gly -Ala->His -Ala->Xle -Ala->Lys -Ala->Met -Ala->Phe -Ala->Pro -Ala->Ser -Ala->Thr -Ala->Trp -Ala->Tyr -Ala->Val -Arg->Ala -Arg->Asn -Arg->Asp -Arg->Cys -Arg->Gln -Arg->Glu -Arg->Gly -Arg->His -Arg->Lys -Arg->Met -Arg->Phe -Arg->Pro -Arg->Ser -Arg->Thr -Arg->Trp -Arg->Tyr -Arg->Val -Arg->Xle -Asn->Ala -Asn->Arg -Asn->Asp -Asn->Cys -Asn->Gln -Asn->Glu -Asn->Gly -Asn->His -Asn->Lys -Asn->Met -Asn->Phe -Asn->Pro -Asn->Ser -Asn->Thr -Asn->Trp -Asn->Tyr -Asn->Val -Asn->Xle -Asp->Ala -Asp->Arg -Asp->Asn -Asp->Cys -Asp->Gln -Asp->Glu -Asp->Gly -Asp->His -Asp->Lys -Asp->Met -Asp->Phe -Asp->Pro -Asp->Ser -Asp->Thr -Asp->Trp -Asp->Tyr -Asp->Val -Asp->Xle -Cys->Ala -Cys->Arg -Cys->Asn -Cys->Asp -Cys->Gln -Cys->Glu -Cys->Gly -Cys->His -Cys->Lys -Cys->Met -Cys->Phe -Cys->Pro -Cys->Ser -Cys->Thr -Cys->Trp -Cys->Tyr -Cys->Val -Cys->Xle -Gln->Ala -Gln->Arg -Gln->Asn -Gln->Asp -Gln->Cys -Gln->Glu -Gln->Gly -Gln->His -Gln->Lys -Gln->Met -Gln->Phe -Gln->Pro -Gln->Ser -Gln->Thr -Gln->Trp -Gln->Tyr -Gln->Val -Gln->Xle -Glu->Ala -Glu->Arg -Glu->Asn -Glu->Asp -Glu->Cys -Glu->Gln -Glu->Gly -Glu->His -Glu->Lys -Glu->Met -Glu->Phe -Glu->Pro -Glu->Ser -Glu->Thr -Glu->Trp -Glu->Tyr -Glu->Val -Glu->Xle -Gly->Ala -Gly->Arg -Gly->Asn -Gly->Asp -Gly->Cys -Gly->Gln -Gly->Glu -Gly->His -Gly->Lys -Gly->Met -Gly->Phe -Gly->Pro -Gly->Ser -Gly->Thr -Gly->Trp -Gly->Tyr -Gly->Val -Gly->Xle -His->Ala -His->Arg -His->Asn -His->Asp -His->Cys -His->Gln -His->Glu -His->Gly -His->Lys -His->Met -His->Phe -His->Pro -His->Ser -His->Thr -His->Trp -His->Tyr -His->Val -His->Xle -Lys->Ala -Lys->Arg -Lys->Asn -Lys->Asp -Lys->Cys -Lys->Gln -Lys->Glu -Lys->Gly -Lys->His -Lys->Met -Lys->Phe -Lys->Pro -Lys->Ser -Lys->Thr -Lys->Trp -Lys->Tyr -Lys->Val -Lys->Xle -Met->Ala -Met->Arg -Met->Asn -Met->Asp -Met->Cys -Met->Gln -Met->Glu -Met->Gly -Met->His -Met->Lys -Met->Phe -Met->Pro -Met->Ser -Met->Thr -Met->Trp -Met->Tyr -Met->Val -Met->Xle -Phe->Ala -Phe->Arg -Phe->Asn -Phe->Asp -Phe->Cys -Phe->Gln -Phe->Glu -Phe->Gly -Phe->His -Phe->Lys -Phe->Met -Phe->Pro -Phe->Ser -Phe->Thr -Phe->Trp -Phe->Tyr -Phe->Val -Phe->Xle -Pro->Ala -Pro->Arg -Pro->Asn -Pro->Asp -Pro->Cys -Pro->Gln -Pro->Glu -Pro->Gly -Pro->His -Pro->Lys -Pro->Met -Pro->Phe -Pro->Ser -Pro->Thr -Pro->Trp -Pro->Tyr -Pro->Val -Pro->Xle -Ser->Ala -Ser->Arg -Ser->Asn -Ser->Asp -Ser->Cys -Ser->Gln -Ser->Glu -Ser->Gly -Ser->His -Ser->Lys -Ser->Met -Ser->Phe -Ser->Pro -Ser->Thr -Ser->Trp -Ser->Tyr -Ser->Val -Ser->Xle -Thr->Ala -Thr->Arg -Thr->Asn -Thr->Asp -Thr->Cys -Thr->Gln -Thr->Glu -Thr->Gly -Thr->His -Thr->Lys -Thr->Met -Thr->Phe -Thr->Pro -Thr->Ser -Thr->Trp -Thr->Tyr -Thr->Val -Thr->Xle -Trp->Ala -Trp->Arg -Trp->Asn -Trp->Asp -Trp->Cys -Trp->Gln -Trp->Glu -Trp->Gly -Trp->His -Trp->Lys -Trp->Met -Trp->Phe -Trp->Pro -Trp->Ser -Trp->Thr -Trp->Tyr -Trp->Val -Trp->Xle -Tyr->Ala -Tyr->Arg -Tyr->Asn -Tyr->Asp -Tyr->Cys -Tyr->Gln -Tyr->Glu -Tyr->Gly -Tyr->His -Tyr->Lys -Tyr->Met -Tyr->Phe -Tyr->Pro -Tyr->Ser -Tyr->Thr -Tyr->Trp -Tyr->Val -Tyr->Xle -Val->Ala -Val->Arg -Val->Asn -Val->Asp -Val->Cys -Val->Gln -Val->Glu -Val->Gly -Val->His -Val->Lys -Val->Met -Val->Phe -Val->Pro -Val->Ser -Val->Thr -Val->Trp -Val->Tyr -Val->Xle -Xle->Ala -Xle->Arg -Xle->Asn -Xle->Asp -Xle->Cys -Xle->Gln -Xle->Glu -Xle->Gly -Xle->His -Xle->Lys -Xle->Met -Xle->Phe -Xle->Pro -Xle->Ser -Xle->Thr -Xle->Trp -Xle->Tyr -Xle->Val -CamCys->Ala -CamCys->Arg -CamCys->Asn -CamCys->Asp -CamCys->Gln -CamCys->Glu -CamCys->Gly -CamCys->His -CamCys->Lys -CamCys->Met -CamCys->Phe -CamCys->Pro -CamCys->Ser -CamCys->Thr -CamCys->Trp -CamCys->Tyr -CamCys->Val -CamCys->Xle -Ala->CamCys -Arg->CamCys -Asn->CamCys -Asp->CamCys -Gln->CamCys -Glu->CamCys -Gly->CamCys -His->CamCys -Lys->CamCys -Met->CamCys -Phe->CamCys -Pro->CamCys -Ser->CamCys -Thr->CamCys -Trp->CamCys -Tyr->CamCys -Val->CamCys -Xle->CamCys -Acetyl (T) [Unimod] -Acetyl (N-term) [Unimod] -Acetyl (S) [Unimod] -Acetyl (C) [Unimod] -Acetyl (N-term) [Unimod] -Acetyl (K) [Unimod] -Acetyl (Y) [Unimod] -Acetyl (H) [Unimod] -Amidated (C-term) [Unimod] -Amidated (C-term) [Unimod] -Biotin (N-term) [Unimod] -Biotin (K) [Unimod] -Carbamidomethyl (D) [Unimod] -Carbamidomethyl (H) [Unimod] -Carbamidomethyl (N-term) [Unimod] -Carbamidomethyl (K) [Unimod] -Carbamidomethyl (C) [Unimod] -Carbamidomethyl (E) [Unimod] -Carbamyl (C) [Unimod] -Carbamyl (R) [Unimod] -Carbamyl (N-term) [Unimod] -Carbamyl (K) [Unimod] -Carbamyl (M) [Unimod] -Carboxymethyl (N-term) [Unimod] -Carboxymethyl (K) [Unimod] -Carboxymethyl (C) [Unimod] -Carboxymethyl (W) [Unimod] -Deamidated (R) [Unimod] -Deamidated (N) [Unimod] -Deamidated (Q) [Unimod] -Deamidated (F) [Unimod] -ICAT-G (C) [Unimod] -ICAT-G:2H(8) (C) [Unimod] -Met->Hse (M) [Unimod] -Met->Hsl (M) [Unimod] -ICAT-D:2H(8) (C) [Unimod] -ICAT-D (C) [Unimod] -NIPCAM (C) [Unimod] -PEO-Iodoacetyl-LC-Biotin (C) [Unimod] -Phospho (R) [Unimod] -Phospho (C) [Unimod] -Phospho (D) [Unimod] -Phospho (Y) [Unimod] -Phospho (H) [Unimod] -Phospho (T) [Unimod] -Phospho (S) [Unimod] -Dehydrated (D) [Unimod] -Dehydrated (Y) [Unimod] -Dehydrated (T) [Unimod] -Dehydrated (S) [Unimod] -Dehydrated (N) [Unimod] -Dehydrated (Q) [Unimod] -Dehydrated (C) [Unimod] -Propionamide (C) [Unimod] -Pyridylacetyl (N-term) [Unimod] -Pyridylacetyl (K) [Unimod] -Pyro-carbamidomethyl (C) [Unimod] -Glu->pyro-Glu (E) [Unimod] -Gln->pyro-Glu (Q) [Unimod] -SMA (N-term) [Unimod] -SMA (K) [Unimod] -Pyridylethyl (C) [Unimod] -Methyl (T) [Unimod] -Methyl (S) [Unimod] -Methyl (N-term) [Unimod] -Methyl (E) [Unimod] -Methyl (D) [Unimod] -Methyl (C-term) [Unimod] -Methyl (L) [Unimod] -Methyl (I) [Unimod] -Methyl (R) [Unimod] -Methyl (N-term) [Unimod] -Methyl (Q) [Unimod] -Methyl (N) [Unimod] -Methyl (K) [Unimod] -Methyl (H) [Unimod] -Methyl (C) [Unimod] -Oxidation (W) [Unimod] -Oxidation (H) [Unimod] -Oxidation (C) [Unimod] -Oxidation (M) [Unimod] -Oxidation (R) [Unimod] -Oxidation (Y) [Unimod] -Oxidation (F) [Unimod] -Oxidation (P) [Unimod] -Oxidation (N) [Unimod] -Oxidation (K) [Unimod] -Oxidation (D) [Unimod] -Oxidation (G) [Unimod] -Dimethyl (N) [Unimod] -Dimethyl (N-term) [Unimod] -Dimethyl (R) [Unimod] -Dimethyl (K) [Unimod] -Dimethyl (P) [Unimod] -Trimethyl (A) [Unimod] -Trimethyl (R) [Unimod] -Trimethyl (K) [Unimod] -Methylthio (C) [Unimod] -Methylthio (N) [Unimod] -Methylthio (D) [Unimod] -Sulfo (Y) [Unimod] -Sulfo (T) [Unimod] -Sulfo (S) [Unimod] -Sulfo (C) [Unimod] -Lipoyl (K) [Unimod] -Farnesyl (C) [Unimod] -Myristoyl (C) [Unimod] -Myristoyl (K) [Unimod] -Myristoyl (G) [Unimod] -PyridoxalPhosphate (K) [Unimod] -Palmitoyl (T) [Unimod] -Palmitoyl (S) [Unimod] -Palmitoyl (K) [Unimod] -Palmitoyl (C) [Unimod] -Palmitoyl (N-term) [Unimod] -GeranylGeranyl (C) [Unimod] -Phosphopantetheine (S) [Unimod] -FAD (Y) [Unimod] -FAD (H) [Unimod] -FAD (C) [Unimod] -Tripalmitate (C) [Unimod] -Guanidinyl (K) [Unimod] -HNE (K) [Unimod] -HNE (H) [Unimod] -HNE (C) [Unimod] -Glucuronyl (N-term) [Unimod] -Glucuronyl (S) [Unimod] -Glutathione (C) [Unimod] -Acetyl:2H(3) (N-term) [Unimod] -Acetyl:2H(3) (K) [Unimod] -Propionyl (N-term) [Unimod] -Propionyl (K) [Unimod] -Propionyl:13C(3) (N-term) [Unimod] -Propionyl:13C(3) (K) [Unimod] -GIST-Quat (N-term) [Unimod] -GIST-Quat (K) [Unimod] -GIST-Quat:2H(3) (N-term) [Unimod] -GIST-Quat:2H(3) (K) [Unimod] -GIST-Quat:2H(6) (N-term) [Unimod] -GIST-Quat:2H(6) (K) [Unimod] -GIST-Quat:2H(9) (N-term) [Unimod] -GIST-Quat:2H(9) (K) [Unimod] -Succinyl (N-term) [Unimod] -Succinyl (N-term) [Unimod] -Succinyl (K) [Unimod] -Succinyl:2H(4) (N-term) [Unimod] -Succinyl:2H(4) (K) [Unimod] -Succinyl:13C(4) (N-term) [Unimod] -Succinyl:13C(4) (K) [Unimod] -probiotinhydrazide (P) [Unimod] -Pro->pyro-Glu (P) [Unimod] -His->Asn (H) [Unimod] -His->Asp (H) [Unimod] -Trp->Hydroxykynurenin (W) [Unimod] -Delta:H(4)C(3) (K) [Unimod] -Delta:H(4)C(3) (H) [Unimod] -Delta:H(4)C(2) (K) [Unimod] -Delta:H(4)C(2) (H) [Unimod] -Cys->Dha (C) [Unimod] -Arg->GluSA (R) [Unimod] -Trioxidation (C) [Unimod] -Iminobiotin (N-term) [Unimod] -Iminobiotin (K) [Unimod] -ESP (N-term) [Unimod] -ESP (K) [Unimod] -ESP:2H(10) (N-term) [Unimod] -ESP:2H(10) (K) [Unimod] -NHS-LC-Biotin (N-term) [Unimod] -NHS-LC-Biotin (K) [Unimod] -EDT-maleimide-PEO-biotin (T) [Unimod] -EDT-maleimide-PEO-biotin (S) [Unimod] -IMID (K) [Unimod] -IMID:2H(4) (K) [Unimod] -Lysbiotinhydrazide (K) [Unimod] -Propionamide:2H(3) (C) [Unimod] -Nitro (Y) [Unimod] -Nitro (W) [Unimod] -ICAT-C (C) [Unimod] -Delta:H(2)C(2) (K) [Unimod] -Delta:H(2)C(2) (H) [Unimod] -Trp->Kynurenin (W) [Unimod] -Lys->Allysine (K) [Unimod] -ICAT-C:13C(9) (C) [Unimod] -FormylMet (N-term) [Unimod] -Nethylmaleimide (C) [Unimod] -OxLysBiotinRed (K) [Unimod] -IBTP (C) [Unimod] -OxLysBiotin (K) [Unimod] -OxProBiotinRed (P) [Unimod] -OxProBiotin (P) [Unimod] -OxArgBiotin (R) [Unimod] -OxArgBiotinRed (R) [Unimod] -EDT-iodoacetyl-PEO-biotin (T) [Unimod] -EDT-iodoacetyl-PEO-biotin (S) [Unimod] -GlyGly (T) [Unimod] -GlyGly (S) [Unimod] -GlyGly (C) [Unimod] -GlyGly (K) [Unimod] -Formyl (N-term) [Unimod] -Formyl (T) [Unimod] -Formyl (K) [Unimod] -Formyl (N-term) [Unimod] -Formyl (S) [Unimod] -Cation:K (C-term) [Unimod] -Cation:K (E) [Unimod] -Cation:K (D) [Unimod] -Thioacyl (N-term) [Unimod] -Thioacyl (K) [Unimod] -Fluoro (W) [Unimod] -Fluoro (F) [Unimod] -Fluoro (Y) [Unimod] -Fluorescein (C) [Unimod] -Iodo (H) [Unimod] -Iodo (Y) [Unimod] -Diiodo (Y) [Unimod] -Triiodo (Y) [Unimod] -Myristoleyl (G) [Unimod] -Pro->Pyrrolidinone (P) [Unimod] -Myristoyl+Delta:H(-4) (G) [Unimod] -Benzoyl (N-term) [Unimod] -Benzoyl (K) [Unimod] -Dansyl (N-term) [Unimod] -Dansyl (K) [Unimod] -a-type-ion (C-term) [Unimod] -Amidine (N-term) [Unimod] -Amidine (K) [Unimod] -NBS:13C(6) (W) [Unimod] -Methyl:2H(3)13C(1) (R) [Unimod] -Dimethyl:2H(6)13C(2) (R) [Unimod] -NBS (W) [Unimod] -Delta:H(1)O(-1)18O(1) (N) [Unimod] -QAT (C) [Unimod] -BHT (H) [Unimod] -BHT (K) [Unimod] -BHT (C) [Unimod] -Delta:H(4)C(2)O(-1)S(1) (S) [Unimod] -DAET (T) [Unimod] -DAET (S) [Unimod] -Pro->Pyrrolidone (P) [Unimod] -Label:13C(9) (Y) [Unimod] -Label:13C(9) (F) [Unimod] -Label:13C(9)+Phospho (Y) [Unimod] -Label:13C(6) (I) [Unimod] -Label:13C(6) (L) [Unimod] -Label:13C(6) (K) [Unimod] -Label:13C(6) (R) [Unimod] -HPG (R) [Unimod] -2HPG (R) [Unimod] -QAT:2H(3) (C) [Unimod] -Label:18O(2) (C-term) [Unimod] -AccQTag (N-term) [Unimod] -AccQTag (K) [Unimod] -Dimethyl:2H(4) (N-term) [Unimod] -Dimethyl:2H(4) (N-term) [Unimod] -Dimethyl:2H(4) (K) [Unimod] -EQAT (C) [Unimod] -EQAT:2H(5) (C) [Unimod] -Ethanedithiol (T) [Unimod] -Ethanedithiol (S) [Unimod] -NEIAA:2H(5) (Y) [Unimod] -NEIAA:2H(5) (C) [Unimod] -Delta:H(6)C(6)O(1) (K) [Unimod] -Delta:H(4)C(3)O(1) (K) [Unimod] -Delta:H(4)C(3)O(1) (H) [Unimod] -Delta:H(4)C(3)O(1) (C) [Unimod] -Delta:H(2)C(3) (K) [Unimod] -Delta:H(4)C(6) (K) [Unimod] -Delta:H(8)C(6)O(2) (K) [Unimod] -ADP-Ribosyl (E) [Unimod] -ADP-Ribosyl (S) [Unimod] -ADP-Ribosyl (N) [Unimod] -ADP-Ribosyl (C) [Unimod] -ADP-Ribosyl (R) [Unimod] -NEIAA (Y) [Unimod] -NEIAA (C) [Unimod] -iTRAQ4plex (Y) [Unimod] -iTRAQ4plex (N-term) [Unimod] -iTRAQ4plex (K) [Unimod] -Crotonaldehyde (K) [Unimod] -Crotonaldehyde (H) [Unimod] -Crotonaldehyde (C) [Unimod] -Amino (Y) [Unimod] -Argbiotinhydrazide (R) [Unimod] -Label:18O(1) (Y) [Unimod] -Label:18O(1) (T) [Unimod] -Label:18O(1) (S) [Unimod] -Label:18O(1) (C-term) [Unimod] -Label:13C(6)15N(2) (K) [Unimod] -Thiophospho (Y) [Unimod] -Thiophospho (T) [Unimod] -Thiophospho (S) [Unimod] -SPITC (K) [Unimod] -SPITC (N-term) [Unimod] -Cytopiloyne (Y) [Unimod] -Cytopiloyne (S) [Unimod] -Cytopiloyne (R) [Unimod] -Cytopiloyne (P) [Unimod] -Cytopiloyne (N-term) [Unimod] -Cytopiloyne (K) [Unimod] -Cytopiloyne (C) [Unimod] -Cytopiloyne+water (Y) [Unimod] -Cytopiloyne+water (T) [Unimod] -Cytopiloyne+water (S) [Unimod] -Cytopiloyne+water (R) [Unimod] -Cytopiloyne+water (N-term) [Unimod] -Cytopiloyne+water (K) [Unimod] -Cytopiloyne+water (C) [Unimod] -Label:13C(6)15N(4) (R) [Unimod] -Label:13C(9)15N(1) (F) [Unimod] -Label:2H(3) (L) [Unimod] -Label:13C(5)15N(1) (V) [Unimod] -PET (T) [Unimod] -PET (S) [Unimod] -CAF (N-term) [Unimod] -Xlink:SSD (K) [Unimod] -Nitrosyl (C) [Unimod] -AEBS (Y) [Unimod] -AEBS (S) [Unimod] -AEBS (N-term) [Unimod] -AEBS (K) [Unimod] -AEBS (H) [Unimod] -Ethanolyl (C) [Unimod] -HMVK (C) [Unimod] -Ethyl (N-term) [Unimod] -Ethyl (K) [Unimod] -Ethyl (E) [Unimod] -Ethyl (N-term) [Unimod] -CoenzymeA (C) [Unimod] -Methyl+Deamidated (Q) [Unimod] -Methyl+Deamidated (N) [Unimod] -Delta:H(5)C(2) (P) [Unimod] -Methyl:2H(2) (K) [Unimod] -SulfanilicAcid (E) [Unimod] -SulfanilicAcid (D) [Unimod] -SulfanilicAcid (C-term) [Unimod] -SulfanilicAcid:13C(6) (E) [Unimod] -SulfanilicAcid:13C(6) (D) [Unimod] -SulfanilicAcid:13C(6) (C-term) [Unimod] -Biotin-PEO-Amine (D) [Unimod] -Biotin-PEO-Amine (C-term) [Unimod] -Biotin-PEO-Amine (E) [Unimod] -Trp->Oxolactone (W) [Unimod] -Biotin-HPDP (C) [Unimod] -IodoU-AMP (Y) [Unimod] -IodoU-AMP (W) [Unimod] -IodoU-AMP (F) [Unimod] -CAMthiopropanoyl (N-term) [Unimod] -CAMthiopropanoyl (K) [Unimod] -IED-Biotin (C) [Unimod] -Methyl:2H(3) (E) [Unimod] -Methyl:2H(3) (D) [Unimod] -Methyl:2H(3) (C-term) [Unimod] -Carboxy (E) [Unimod] -Carboxy (D) [Unimod] -Carboxy (K) [Unimod] -Carboxy (W) [Unimod] -Carboxy (M) [Unimod] -Bromobimane (C) [Unimod] -Menadione (K) [Unimod] -Menadione (C) [Unimod] -DeStreak (C) [Unimod] -Cysteinyl (C) [Unimod] -Lys-loss (K) [Unimod] -Nmethylmaleimide (K) [Unimod] -Nmethylmaleimide (C) [Unimod] -CyDye-Cy3 (C) [Unimod] -DimethylpyrroleAdduct (K) [Unimod] -Delta:H(2)C(5) (K) [Unimod] -Delta:H(2)C(3)O(1) (K) [Unimod] -Delta:H(2)C(3)O(1) (R) [Unimod] -Nethylmaleimide+water (K) [Unimod] -Nethylmaleimide+water (C) [Unimod] -Methyl+Acetyl:2H(3) (K) [Unimod] -Xlink:B10621 (C) [Unimod] -DTBP (N-term) [Unimod] -DTBP (K) [Unimod] -DTBP (R) [Unimod] -DTBP (Q) [Unimod] -DTBP (N) [Unimod] -FP-Biotin (T) [Unimod] -FP-Biotin (Y) [Unimod] -FP-Biotin (S) [Unimod] -Thiophos-S-S-biotin (Y) [Unimod] -Thiophos-S-S-biotin (T) [Unimod] -Thiophos-S-S-biotin (S) [Unimod] -Can-FP-biotin (T) [Unimod] -Can-FP-biotin (Y) [Unimod] -Can-FP-biotin (S) [Unimod] -HNE+Delta:H(2) (K) [Unimod] -HNE+Delta:H(2) (H) [Unimod] -HNE+Delta:H(2) (C) [Unimod] -Thrbiotinhydrazide (T) [Unimod] -Methylamine (T) [Unimod] -Methylamine (S) [Unimod] -Diisopropylphosphate (Y) [Unimod] -Diisopropylphosphate (T) [Unimod] -Diisopropylphosphate (S) [Unimod] -Isopropylphospho (Y) [Unimod] -Isopropylphospho (T) [Unimod] -Isopropylphospho (S) [Unimod] -ICPL:13C(6) (N-term) [Unimod] -ICPL:13C(6) (N-term) [Unimod] -ICPL:13C(6) (K) [Unimod] -ICPL (N-term) [Unimod] -ICPL (K) [Unimod] -ICPL (N-term) [Unimod] -Deamidated:18O(1) (Q) [Unimod] -Deamidated:18O(1) (N) [Unimod] -Arg->Orn (R) [Unimod] -Dehydro (C) [Unimod] -Diphthamide (H) [Unimod] -Hydroxyfarnesyl (C) [Unimod] -Diacylglycerol (C) [Unimod] -Carboxyethyl (K) [Unimod] -Hypusine (K) [Unimod] -Retinylidene (K) [Unimod] -Lys->AminoadipicAcid (K) [Unimod] -Cys->PyruvicAcid (C) [Unimod] -Ammonia-loss (C) [Unimod] -Ammonia-loss (S) [Unimod] -Ammonia-loss (T) [Unimod] -Ammonia-loss (N) [Unimod] -Phycocyanobilin (C) [Unimod] -Phycoerythrobilin (C) [Unimod] -Phytochromobilin (C) [Unimod] -Quinone (W) [Unimod] -Quinone (Y) [Unimod] -GPIanchor (C-term) [Unimod] -PhosphoribosyldephosphoCoA (S) [Unimod] -GlycerylPE (E) [Unimod] -Triiodothyronine (Y) [Unimod] -Thyroxine (Y) [Unimod] -Tyr->Dha (Y) [Unimod] -Didehydro (S) [Unimod] -Didehydro (Y) [Unimod] -Didehydro (T) [Unimod] -Didehydro (K) [Unimod] -Cys->Oxoalanine (C) [Unimod] -Ser->LacticAcid (S) [Unimod] -GluGlu (E) [Unimod] -GluGlu (C-term) [Unimod] -Phosphoadenosine (H) [Unimod] -Phosphoadenosine (T) [Unimod] -Phosphoadenosine (K) [Unimod] -Phosphoadenosine (Y) [Unimod] -Glu (E) [Unimod] -Glu (C-term) [Unimod] -Hydroxycinnamyl (C) [Unimod] -Glycosyl (P) [Unimod] -FMNH (H) [Unimod] -FMNH (C) [Unimod] -Archaeol (C) [Unimod] -Phenylisocyanate (N-term) [Unimod] -Phenylisocyanate:2H(5) (N-term) [Unimod] -Phosphoguanosine (H) [Unimod] -Phosphoguanosine (K) [Unimod] -Hydroxymethyl (N) [Unimod] -Dipyrrolylmethanemethyl (C) [Unimod] -PhosphoUridine (H) [Unimod] -PhosphoUridine (Y) [Unimod] -Glycerophospho (S) [Unimod] -Carboxy->Thiocarboxy (G) [Unimod] -Sulfide (C) [Unimod] -PyruvicAcidIminyl (K) [Unimod] -PyruvicAcidIminyl (V) [Unimod] -PyruvicAcidIminyl (C) [Unimod] -Dioxidation (Y) [Unimod] -Dioxidation (W) [Unimod] -Dioxidation (F) [Unimod] -Dioxidation (M) [Unimod] -Dioxidation (R) [Unimod] -Dioxidation (K) [Unimod] -Dioxidation (P) [Unimod] -Dioxidation (C) [Unimod] -Octanoyl (T) [Unimod] -Octanoyl (S) [Unimod] -Palmitoleyl (C) [Unimod] -Cholesterol (C-term) [Unimod] -Didehydroretinylidene (K) [Unimod] -CHDH (D) [Unimod] -Methylpyrroline (K) [Unimod] -MicrocinC7 (C-term) [Unimod] -Cyano (C) [Unimod] -Amidino (C) [Unimod] -FMN (S) [Unimod] -FMN (T) [Unimod] -FMNC (C) [Unimod] -Hydroxytrimethyl (K) [Unimod] -Deoxy (T) [Unimod] -Deoxy (D) [Unimod] -Deoxy (S) [Unimod] -Microcin (C-term) [Unimod] -Decanoyl (T) [Unimod] -Decanoyl (S) [Unimod] -GluGluGlu (C-term) [Unimod] -GluGluGlu (E) [Unimod] -GluGluGluGlu (C-term) [Unimod] -GluGluGluGlu (E) [Unimod] -HexN (W) [Unimod] -HexN (T) [Unimod] -HexN (N) [Unimod] -HexN (K) [Unimod] -Xlink:DMP-s (N-term) [Unimod] -Xlink:DMP-s (K) [Unimod] -Xlink:DMP (N-term) [Unimod] -Xlink:DMP (K) [Unimod] -NDA (N-term) [Unimod] -NDA (K) [Unimod] -SPITC:13C(6) (N-term) [Unimod] -SPITC:13C(6) (K) [Unimod] -TMAB:2H(9) (N-term) [Unimod] -TMAB:2H(9) (K) [Unimod] -TMAB (N-term) [Unimod] -TMAB (K) [Unimod] -FTC (S) [Unimod] -FTC (R) [Unimod] -FTC (P) [Unimod] -FTC (K) [Unimod] -FTC (C) [Unimod] -AEC-MAEC (T) [Unimod] -AEC-MAEC (S) [Unimod] -BADGE (C) [Unimod] -Label:2H(4) (K) [Unimod] -CyDye-Cy5 (C) [Unimod] -DHP (C) [Unimod] -BHTOH (H) [Unimod] -BHTOH (C) [Unimod] -BHTOH (K) [Unimod] -Nmethylmaleimide+water (C) [Unimod] -PyMIC (N-term) [Unimod] -LG-lactam-K (N-term) [Unimod] -LG-lactam-K (K) [Unimod] -BisANS (K) [Unimod] -Piperidine (N-term) [Unimod] -Piperidine (K) [Unimod] -Diethyl (N-term) [Unimod] -Diethyl (K) [Unimod] -LG-Hlactam-K (N-term) [Unimod] -LG-Hlactam-K (K) [Unimod] -Dimethyl:2H(4)13C(2) (N-term) [Unimod] -Dimethyl:2H(4)13C(2) (K) [Unimod] -C8-QAT (N-term) [Unimod] -C8-QAT (K) [Unimod] -LG-lactam-R (R) [Unimod] -CLIP_TRAQ_1 (N-term) [Unimod] -CLIP_TRAQ_1 (K) [Unimod] -CLIP_TRAQ_1 (Y) [Unimod] -CLIP_TRAQ_2 (N-term) [Unimod] -CLIP_TRAQ_2 (K) [Unimod] -CLIP_TRAQ_2 (Y) [Unimod] -LG-Hlactam-R (R) [Unimod] -Maleimide-PEO2-Biotin (C) [Unimod] -Sulfo-NHS-LC-LC-Biotin (N-term) [Unimod] -Sulfo-NHS-LC-LC-Biotin (K) [Unimod] -FNEM (C) [Unimod] -PropylNAGthiazoline (C) [Unimod] -Dethiomethyl (M) [Unimod] -iTRAQ4plex114 (Y) [Unimod] -iTRAQ4plex114 (N-term) [Unimod] -iTRAQ4plex114 (K) [Unimod] -iTRAQ4plex115 (Y) [Unimod] -iTRAQ4plex115 (N-term) [Unimod] -iTRAQ4plex115 (K) [Unimod] -LeuArgGlyGly (K) [Unimod] -CLIP_TRAQ_3 (Y) [Unimod] -CLIP_TRAQ_3 (N-term) [Unimod] -CLIP_TRAQ_3 (K) [Unimod] -CLIP_TRAQ_4 (N-term) [Unimod] -CLIP_TRAQ_4 (K) [Unimod] -CLIP_TRAQ_4 (Y) [Unimod] -15dB-biotin (C) [Unimod] -PGA1-biotin (C) [Unimod] -Ala->Ser (A) [Unimod] -Ala->Thr (A) [Unimod] -Ala->Asp (A) [Unimod] -Ala->Pro (A) [Unimod] -Ala->Gly (A) [Unimod] -Ala->Glu (A) [Unimod] -Ala->Val (A) [Unimod] -Cys->Phe (C) [Unimod] -Cys->Ser (C) [Unimod] -Cys->Trp (C) [Unimod] -Cys->Tyr (C) [Unimod] -Cys->Arg (C) [Unimod] -Cys->Gly (C) [Unimod] -Asp->Ala (D) [Unimod] -Asp->His (D) [Unimod] -Asp->Asn (D) [Unimod] -Asp->Gly (D) [Unimod] -Asp->Tyr (D) [Unimod] -Asp->Glu (D) [Unimod] -Asp->Val (D) [Unimod] -Glu->Ala (E) [Unimod] -Glu->Gln (E) [Unimod] -Glu->Asp (E) [Unimod] -Glu->Lys (E) [Unimod] -Glu->Gly (E) [Unimod] -Glu->Val (E) [Unimod] -Phe->Ser (F) [Unimod] -Phe->Cys (F) [Unimod] -Phe->Ile (F) [Unimod] -Phe->Tyr (F) [Unimod] -Phe->Val (F) [Unimod] -Gly->Ala (G) [Unimod] -Gly->Ser (G) [Unimod] -Gly->Trp (G) [Unimod] -Gly->Glu (G) [Unimod] -Gly->Val (G) [Unimod] -Gly->Asp (G) [Unimod] -Gly->Cys (G) [Unimod] -Gly->Arg (G) [Unimod] -dNIC (N-term) [Unimod] -His->Pro (H) [Unimod] -His->Tyr (H) [Unimod] -His->Gln (H) [Unimod] -NIC (N-term) [Unimod] -His->Arg (H) [Unimod] -His->Leu (H) [Unimod] -Ile->Phe (I) [Unimod] -Ile->Ser (I) [Unimod] -Ile->Thr (I) [Unimod] -Ile->Asn (I) [Unimod] -Ile->Lys (I) [Unimod] -Ile->Val (I) [Unimod] -Ile->Met (I) [Unimod] -Ile->Arg (I) [Unimod] -Lys->Thr (K) [Unimod] -Lys->Asn (K) [Unimod] -Lys->Glu (K) [Unimod] -Lys->Gln (K) [Unimod] -Lys->Met (K) [Unimod] -Lys->Arg (K) [Unimod] -Lys->Ile (K) [Unimod] -Leu->Ser (L) [Unimod] -Leu->Phe (L) [Unimod] -Leu->Trp (L) [Unimod] -Leu->Pro (L) [Unimod] -Leu->Val (L) [Unimod] -Leu->His (L) [Unimod] -Leu->Gln (L) [Unimod] -Leu->Met (L) [Unimod] -Leu->Arg (L) [Unimod] -Met->Thr (M) [Unimod] -Met->Arg (M) [Unimod] -Met->Ile (M) [Unimod] -Met->Lys (M) [Unimod] -Met->Leu (M) [Unimod] -Met->Val (M) [Unimod] -Asn->Ser (N) [Unimod] -Asn->Thr (N) [Unimod] -Asn->Lys (N) [Unimod] -Asn->Tyr (N) [Unimod] -Asn->His (N) [Unimod] -Asn->Asp (N) [Unimod] -Asn->Ile (N) [Unimod] -Pro->Ser (P) [Unimod] -Pro->Ala (P) [Unimod] -Pro->His (P) [Unimod] -Pro->Gln (P) [Unimod] -Pro->Thr (P) [Unimod] -Pro->Arg (P) [Unimod] -Pro->Leu (P) [Unimod] -Gln->Pro (Q) [Unimod] -Gln->Lys (Q) [Unimod] -Gln->Glu (Q) [Unimod] -Gln->His (Q) [Unimod] -Gln->Arg (Q) [Unimod] -Gln->Leu (Q) [Unimod] -Arg->Ser (R) [Unimod] -Arg->Trp (R) [Unimod] -Arg->Thr (R) [Unimod] -Arg->Pro (R) [Unimod] -Arg->Lys (R) [Unimod] -Arg->His (R) [Unimod] -Arg->Gln (R) [Unimod] -Arg->Met (R) [Unimod] -Arg->Cys (R) [Unimod] -Arg->Ile (R) [Unimod] -Arg->Gly (R) [Unimod] -Ser->Phe (S) [Unimod] -Ser->Ala (S) [Unimod] -Ser->Trp (S) [Unimod] -Ser->Thr (S) [Unimod] -Ser->Asn (S) [Unimod] -Ser->Pro (S) [Unimod] -Ser->Tyr (S) [Unimod] -Ser->Cys (S) [Unimod] -Ser->Arg (S) [Unimod] -Ser->Ile (S) [Unimod] -Ser->Gly (S) [Unimod] -Thr->Ser (T) [Unimod] -Thr->Ala (T) [Unimod] -Thr->Asn (T) [Unimod] -Thr->Lys (T) [Unimod] -Thr->Pro (T) [Unimod] -Thr->Met (T) [Unimod] -Thr->Ile (T) [Unimod] -Thr->Arg (T) [Unimod] -Val->Phe (V) [Unimod] -Val->Ala (V) [Unimod] -Val->Glu (V) [Unimod] -Val->Met (V) [Unimod] -Val->Asp (V) [Unimod] -Val->Ile (V) [Unimod] -Val->Gly (V) [Unimod] -Trp->Ser (W) [Unimod] -Trp->Cys (W) [Unimod] -Trp->Arg (W) [Unimod] -Trp->Gly (W) [Unimod] -Trp->Leu (W) [Unimod] -Tyr->Phe (Y) [Unimod] -Tyr->Ser (Y) [Unimod] -Tyr->Asn (Y) [Unimod] -Tyr->His (Y) [Unimod] -Tyr->Asp (Y) [Unimod] -Tyr->Cys (Y) [Unimod] -NA-LNO2 (C) [Unimod] -NA-LNO2 (H) [Unimod] -NA-OA-NO2 (C) [Unimod] -NA-OA-NO2 (H) [Unimod] -ICPL:2H(4) (N-term) [Unimod] -ICPL:2H(4) (N-term) [Unimod] -ICPL:2H(4) (K) [Unimod] -iTRAQ8plex (Y) [Unimod] -iTRAQ8plex (N-term) [Unimod] -iTRAQ8plex (K) [Unimod] -Label:13C(6)15N(1) (I) [Unimod] -Label:13C(6)15N(1) (L) [Unimod] -Label:2H(9)13C(6)15N(2) (K) [Unimod] -HNE-Delta:H(2)O (K) [Unimod] -HNE-Delta:H(2)O (H) [Unimod] -HNE-Delta:H(2)O (C) [Unimod] -4-ONE (K) [Unimod] -4-ONE (H) [Unimod] -4-ONE (C) [Unimod] -O-Dimethylphosphate (Y) [Unimod] -O-Dimethylphosphate (T) [Unimod] -O-Dimethylphosphate (S) [Unimod] -O-Methylphosphate (Y) [Unimod] -O-Methylphosphate (T) [Unimod] -O-Methylphosphate (S) [Unimod] -O-Diethylphosphate (Y) [Unimod] -O-Diethylphosphate (T) [Unimod] -O-Diethylphosphate (S) [Unimod] -O-Ethylphosphate (Y) [Unimod] -O-Ethylphosphate (T) [Unimod] -O-Ethylphosphate (S) [Unimod] -O-pinacolylmethylphosphonate (Y) [Unimod] -O-pinacolylmethylphosphonate (T) [Unimod] -O-pinacolylmethylphosphonate (S) [Unimod] -Methylphosphonate (Y) [Unimod] -Methylphosphonate (T) [Unimod] -Methylphosphonate (S) [Unimod] -O-Isopropylmethylphosphonate (Y) [Unimod] -O-Isopropylmethylphosphonate (T) [Unimod] -O-Isopropylmethylphosphonate (S) [Unimod] -iTRAQ8plex:13C(6)15N(2) (Y) [Unimod] -iTRAQ8plex:13C(6)15N(2) (N-term) [Unimod] -iTRAQ8plex:13C(6)15N(2) (K) [Unimod] -DTT_ST (S) [Unimod] -DTT_ST (T) [Unimod] -Ethanolamine (D) [Unimod] -Ethanolamine (C-term) [Unimod] -Ethanolamine (E) [Unimod] -TMT6plex (K) [Unimod] -TMT6plex (N-term) [Unimod] -DTT_C (C) [Unimod] -TMT2plex (N-term) [Unimod] -TMT2plex (K) [Unimod] -TMT (N-term) [Unimod] -TMT (K) [Unimod] -ExacTagThiol (C) [Unimod] -ExacTagAmine (K) [Unimod] -NO_SMX_SEMD (C) [Unimod] -4-ONE+Delta:H(-2)O(-1) (K) [Unimod] -4-ONE+Delta:H(-2)O(-1) (H) [Unimod] -4-ONE+Delta:H(-2)O(-1) (C) [Unimod] -NO_SMX_SMCT (C) [Unimod] -NO_SMX_SIMD (C) [Unimod] -Malonyl (C) [Unimod] -Malonyl (S) [Unimod] -3sulfo (N-term) [Unimod] -trifluoro (L) [Unimod] -TNBS (N-term) [Unimod] -TNBS (K) [Unimod] -Biotin-phenacyl (C) [Unimod] -Biotin-phenacyl (H) [Unimod] -Biotin-phenacyl (S) [Unimod] -DTT_C:2H(6) (C) [Unimod] -lapachenole (C) [Unimod] -Label:13C(5) (P) [Unimod] -maleimide (K) [Unimod] -maleimide (C) [Unimod] -DTT_ST:2H(6) (T) [Unimod] -DTT_ST:2H(6) (S) [Unimod] -Met-loss (M) [Unimod] -Met-loss+Acetyl (M) [Unimod] -Menadione-HQ (K) [Unimod] -Menadione-HQ (C) [Unimod] -Carboxymethyl:13C(2) (C) [Unimod] -NEM:2H(5) (C) [Unimod] -Gly-loss+Amide (G) [Unimod] -TMPP-Ac (N-term) [Unimod] -Label:13C(6)+GlyGly (K) [Unimod] -Arg->Npo (R) [Unimod] -Label:2H(4)+Acetyl (K) [Unimod] -Pentylamine (Q) [Unimod] -PentylamineBiotin (Q) [Unimod] -Dihydroxyimidazolidine (R) [Unimod] -DFDNB (Q) [Unimod] -DFDNB (N) [Unimod] -DFDNB (R) [Unimod] -DFDNB (K) [Unimod] -Cy3b-maleimide (C) [Unimod] -AEC-MAEC:2H(4) (S) [Unimod] -AEC-MAEC:2H(4) (T) [Unimod] -BMOE (C) [Unimod] -Biotin-PEO4-hydrazide (C-term) [Unimod] -Label:13C(6)+Acetyl (K) [Unimod] -Label:13C(6)15N(2)+Acetyl (K) [Unimod] -EQIGG (K) [Unimod] -cGMP (C) [Unimod] -cGMP+RMP-loss (C) [Unimod] -Arg2PG (R) [Unimod] -Label:2H(4)+GlyGly (K) [Unimod] -Label:13C(8)15N(2) (R) [Unimod] -Label:13C(1)2H(3) (M) [Unimod] -ZGB (K) [Unimod] -ZGB (N-term) [Unimod] -MG-H1 (R) [Unimod] -G-H1 (R) [Unimod] -Label:13C(6)15N(2)+GlyGly (K) [Unimod] -ICPL:13C(6)2H(4) (N-term) [Unimod] -ICPL:13C(6)2H(4) (K) [Unimod] -ICPL:13C(6)2H(4) (N-term) [Unimod] -QQQTGG (K) [Unimod] -QEQTGG (K) [Unimod] -Bodipy (C) [Unimod]
--- a/maxquant_mods.loc.sample Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,396 +0,0 @@ -Oxidation (M) -Acetyl (Protein N-term) -Acetyl (K) -Ala->Arg -Ala->Asn -Ala->Asp -Ala->CamCys -Ala->Cys -Ala->Gln -Ala->Glu -Ala->Gly -Ala->His -Ala->Lys -Ala->Met -Ala->Phe -Ala->Pro -Ala->Ser -Ala->Thr -Ala->Trp -Ala->Tyr -Ala->Val -Ala->Xle -Arg->Ala -Arg->Asn -Arg->Asp -Arg->CamCys -Arg->Cys -Arg->Gln -Arg->Glu -Arg->Gly -Arg->His -Arg->Lys -Arg->Met -Arg->Phe -Arg->Pro -Arg->Ser -Arg->Thr -Arg->Trp -Arg->Tyr -Arg->Val -Arg->Xle -Asn->Ala -Asn->Arg -Asn->Asp -Asn->CamCys -Asn->Cys -Asn->Gln -Asn->Glu -Asn->Gly -Asn->His -Asn->Lys -Asn->Met -Asn->Phe -Asn->Pro -Asn->Ser -Asn->Thr -Asn->Trp -Asn->Tyr -Asn->Val -Asn->Xle -Asp->Ala -Asp->Arg -Asp->Asn -Asp->CamCys -Asp->Cys -Asp->Gln -Asp->Glu -Asp->Gly -Asp->His -Asp->Lys -Asp->Met -Asp->Phe -Asp->Pro -Asp->Ser -Asp->Thr -Asp->Trp -Asp->Tyr -Asp->Val -Asp->Xle -CamCys->Ala -CamCys->Arg -CamCys->Asn -CamCys->Asp -CamCys->Gln -CamCys->Glu -CamCys->Gly -CamCys->His -CamCys->Lys -CamCys->Met -CamCys->Phe -CamCys->Pro -CamCys->Ser -CamCys->Thr -CamCys->Trp -CamCys->Tyr -CamCys->Val -CamCys->Xle -Carbamidomethyl (C) -Cys->Ala -Cys->Arg -Cys->Asn -Cys->Asp -Cys->Gln -Cys->Glu -Cys->Gly -Cys->His -Cys->Lys -Cys->Met -Cys->Phe -Cys->Pro -Cys->Ser -Cys->Thr -Cys->Trp -Cys->Tyr -Cys->Val -Cys->Xle -Deamidation (N) -Deamidation (NQ) -Deamidation 18O (N) -Dimethyl (KR) -Gln->Ala -Gln->Arg -Gln->Asn -Gln->Asp -Gln->CamCys -Gln->Cys -Gln->Glu -Gln->Gly -Gln->His -Gln->Lys -Gln->Met -Gln->Phe -Gln->Pro -Gln->pyro-Glu -Gln->Ser -Gln->Thr -Gln->Trp -Gln->Tyr -Gln->Val -Gln->Xle -Glu->Ala -Glu->Arg -Glu->Asn -Glu->Asp -Glu->CamCys -Glu->Cys -Glu->Gln -Glu->Gly -Glu->His -Glu->Lys -Glu->Met -Glu->Phe -Glu->Pro -Glu->pyro-Glu -Glu->Ser -Glu->Thr -Glu->Trp -Glu->Tyr -Glu->Val -Glu->Xle -Gly->Ala -Gly->Arg -Gly->Asn -Gly->Asp -Gly->CamCys -Gly->Cys -Gly->Gln -Gly->Glu -Gly->His -Gly->Lys -Gly->Met -Gly->Phe -Gly->Pro -Gly->Ser -Gly->Thr -Gly->Trp -Gly->Tyr -Gly->Val -Gly->Xle -GlyGly (K) -His->Ala -His->Arg -His->Asn -His->Asp -His->CamCys -His->Cys -His->Gln -His->Glu -His->Gly -His->Lys -His->Met -His->Phe -His->Pro -His->Ser -His->Thr -His->Trp -His->Tyr -His->Val -His->Xle -Lys->Ala -Lys->Arg -Lys->Asn -Lys->Asp -Lys->CamCys -Lys->Cys -Lys->Gln -Lys->Glu -Lys->Gly -Lys->His -Lys->Met -Lys->Phe -Lys->Pro -Lys->Ser -Lys->Thr -Lys->Trp -Lys->Tyr -Lys->Val -Lys->Xle -Met->Ala -Met->Arg -Met->Asn -Met->Asp -Met->CamCys -Met->Cys -Met->Gln -Met->Glu -Met->Gly -Met->His -Met->Lys -Met->Phe -Met->Pro -Met->Ser -Met->Thr -Met->Trp -Met->Tyr -Met->Val -Met->Xle -Methyl (KR) -OHexNAc -Phe->Ala -Phe->Arg -Phe->Asn -Phe->Asp -Phe->CamCys -Phe->Cys -Phe->Gln -Phe->Glu -Phe->Gly -Phe->His -Phe->Lys -Phe->Met -Phe->Pro -Phe->Ser -Phe->Thr -Phe->Trp -Phe->Tyr -Phe->Val -Phe->Xle -Phospho (STY) -Pro->Ala -Pro->Arg -Pro->Asn -Pro->Asp -Pro->CamCys -Pro->Cys -Pro->Gln -Pro->Glu -Pro->Gly -Pro->His -Pro->Lys -Pro->Met -Pro->Phe -Pro->Ser -Pro->Thr -Pro->Trp -Pro->Tyr -Pro->Val -Pro->Xle -Pro5 -Pro6 -QQTGG (K) -Ser->Ala -Ser->Arg -Ser->Asn -Ser->Asp -Ser->CamCys -Ser->Cys -Ser->Gln -Ser->Glu -Ser->Gly -Ser->His -Ser->Lys -Ser->Met -Ser->Phe -Ser->Pro -Ser->Thr -Ser->Trp -Ser->Tyr -Ser->Val -Ser->Xle -Thr->Ala -Thr->Arg -Thr->Asn -Thr->Asp -Thr->CamCys -Thr->Cys -Thr->Gln -Thr->Glu -Thr->Gly -Thr->His -Thr->Lys -Thr->Met -Thr->Phe -Thr->Pro -Thr->Ser -Thr->Trp -Thr->Tyr -Thr->Val -Thr->Xle -Trimethyl (K) -Trp->Ala -Trp->Arg -Trp->Asn -Trp->Asp -Trp->CamCys -Trp->Cys -Trp->Gln -Trp->Glu -Trp->Gly -Trp->His -Trp->Lys -Trp->Met -Trp->Phe -Trp->Pro -Trp->Ser -Trp->Thr -Trp->Tyr -Trp->Val -Trp->Xle -Tyr->Ala -Tyr->Arg -Tyr->Asn -Tyr->Asp -Tyr->CamCys -Tyr->Cys -Tyr->Gln -Tyr->Glu -Tyr->Gly -Tyr->His -Tyr->Lys -Tyr->Met -Tyr->Phe -Tyr->Pro -Tyr->Ser -Tyr->Thr -Tyr->Trp -Tyr->Val -Tyr->Xle -Val->Ala -Val->Arg -Val->Asn -Val->Asp -Val->CamCys -Val->Cys -Val->Gln -Val->Glu -Val->Gly -Val->His -Val->Lys -Val->Met -Val->Phe -Val->Pro -Val->Ser -Val->Thr -Val->Trp -Val->Tyr -Val->Xle -Xle->Ala -Xle->Arg -Xle->Asn -Xle->Asp -Xle->CamCys -Xle->Cys -Xle->Gln -Xle->Glu -Xle->Gly -Xle->His -Xle->Lys -Xle->Met -Xle->Phe -Xle->Pro -Xle->Ser -Xle->Thr -Xle->Trp -Xle->Tyr -Xle->Val
--- a/maxquant_mods.loc.sample.default Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,396 +0,0 @@ -Oxidation (M) -Acetyl (Protein N-term) -Acetyl (K) -Ala->Arg -Ala->Asn -Ala->Asp -Ala->CamCys -Ala->Cys -Ala->Gln -Ala->Glu -Ala->Gly -Ala->His -Ala->Lys -Ala->Met -Ala->Phe -Ala->Pro -Ala->Ser -Ala->Thr -Ala->Trp -Ala->Tyr -Ala->Val -Ala->Xle -Arg->Ala -Arg->Asn -Arg->Asp -Arg->CamCys -Arg->Cys -Arg->Gln -Arg->Glu -Arg->Gly -Arg->His -Arg->Lys -Arg->Met -Arg->Phe -Arg->Pro -Arg->Ser -Arg->Thr -Arg->Trp -Arg->Tyr -Arg->Val -Arg->Xle -Asn->Ala -Asn->Arg -Asn->Asp -Asn->CamCys -Asn->Cys -Asn->Gln -Asn->Glu -Asn->Gly -Asn->His -Asn->Lys -Asn->Met -Asn->Phe -Asn->Pro -Asn->Ser -Asn->Thr -Asn->Trp -Asn->Tyr -Asn->Val -Asn->Xle -Asp->Ala -Asp->Arg -Asp->Asn -Asp->CamCys -Asp->Cys -Asp->Gln -Asp->Glu -Asp->Gly -Asp->His -Asp->Lys -Asp->Met -Asp->Phe -Asp->Pro -Asp->Ser -Asp->Thr -Asp->Trp -Asp->Tyr -Asp->Val -Asp->Xle -CamCys->Ala -CamCys->Arg -CamCys->Asn -CamCys->Asp -CamCys->Gln -CamCys->Glu -CamCys->Gly -CamCys->His -CamCys->Lys -CamCys->Met -CamCys->Phe -CamCys->Pro -CamCys->Ser -CamCys->Thr -CamCys->Trp -CamCys->Tyr -CamCys->Val -CamCys->Xle -Carbamidomethyl (C) -Cys->Ala -Cys->Arg -Cys->Asn -Cys->Asp -Cys->Gln -Cys->Glu -Cys->Gly -Cys->His -Cys->Lys -Cys->Met -Cys->Phe -Cys->Pro -Cys->Ser -Cys->Thr -Cys->Trp -Cys->Tyr -Cys->Val -Cys->Xle -Deamidation (N) -Deamidation (NQ) -Deamidation 18O (N) -Dimethyl (KR) -Gln->Ala -Gln->Arg -Gln->Asn -Gln->Asp -Gln->CamCys -Gln->Cys -Gln->Glu -Gln->Gly -Gln->His -Gln->Lys -Gln->Met -Gln->Phe -Gln->Pro -Gln->pyro-Glu -Gln->Ser -Gln->Thr -Gln->Trp -Gln->Tyr -Gln->Val -Gln->Xle -Glu->Ala -Glu->Arg -Glu->Asn -Glu->Asp -Glu->CamCys -Glu->Cys -Glu->Gln -Glu->Gly -Glu->His -Glu->Lys -Glu->Met -Glu->Phe -Glu->Pro -Glu->pyro-Glu -Glu->Ser -Glu->Thr -Glu->Trp -Glu->Tyr -Glu->Val -Glu->Xle -Gly->Ala -Gly->Arg -Gly->Asn -Gly->Asp -Gly->CamCys -Gly->Cys -Gly->Gln -Gly->Glu -Gly->His -Gly->Lys -Gly->Met -Gly->Phe -Gly->Pro -Gly->Ser -Gly->Thr -Gly->Trp -Gly->Tyr -Gly->Val -Gly->Xle -GlyGly (K) -His->Ala -His->Arg -His->Asn -His->Asp -His->CamCys -His->Cys -His->Gln -His->Glu -His->Gly -His->Lys -His->Met -His->Phe -His->Pro -His->Ser -His->Thr -His->Trp -His->Tyr -His->Val -His->Xle -Lys->Ala -Lys->Arg -Lys->Asn -Lys->Asp -Lys->CamCys -Lys->Cys -Lys->Gln -Lys->Glu -Lys->Gly -Lys->His -Lys->Met -Lys->Phe -Lys->Pro -Lys->Ser -Lys->Thr -Lys->Trp -Lys->Tyr -Lys->Val -Lys->Xle -Met->Ala -Met->Arg -Met->Asn -Met->Asp -Met->CamCys -Met->Cys -Met->Gln -Met->Glu -Met->Gly -Met->His -Met->Lys -Met->Phe -Met->Pro -Met->Ser -Met->Thr -Met->Trp -Met->Tyr -Met->Val -Met->Xle -Methyl (KR) -OHexNAc -Phe->Ala -Phe->Arg -Phe->Asn -Phe->Asp -Phe->CamCys -Phe->Cys -Phe->Gln -Phe->Glu -Phe->Gly -Phe->His -Phe->Lys -Phe->Met -Phe->Pro -Phe->Ser -Phe->Thr -Phe->Trp -Phe->Tyr -Phe->Val -Phe->Xle -Phospho (STY) -Pro->Ala -Pro->Arg -Pro->Asn -Pro->Asp -Pro->CamCys -Pro->Cys -Pro->Gln -Pro->Glu -Pro->Gly -Pro->His -Pro->Lys -Pro->Met -Pro->Phe -Pro->Ser -Pro->Thr -Pro->Trp -Pro->Tyr -Pro->Val -Pro->Xle -Pro5 -Pro6 -QQTGG (K) -Ser->Ala -Ser->Arg -Ser->Asn -Ser->Asp -Ser->CamCys -Ser->Cys -Ser->Gln -Ser->Glu -Ser->Gly -Ser->His -Ser->Lys -Ser->Met -Ser->Phe -Ser->Pro -Ser->Thr -Ser->Trp -Ser->Tyr -Ser->Val -Ser->Xle -Thr->Ala -Thr->Arg -Thr->Asn -Thr->Asp -Thr->CamCys -Thr->Cys -Thr->Gln -Thr->Glu -Thr->Gly -Thr->His -Thr->Lys -Thr->Met -Thr->Phe -Thr->Pro -Thr->Ser -Thr->Trp -Thr->Tyr -Thr->Val -Thr->Xle -Trimethyl (K) -Trp->Ala -Trp->Arg -Trp->Asn -Trp->Asp -Trp->CamCys -Trp->Cys -Trp->Gln -Trp->Glu -Trp->Gly -Trp->His -Trp->Lys -Trp->Met -Trp->Phe -Trp->Pro -Trp->Ser -Trp->Thr -Trp->Tyr -Trp->Val -Trp->Xle -Tyr->Ala -Tyr->Arg -Tyr->Asn -Tyr->Asp -Tyr->CamCys -Tyr->Cys -Tyr->Gln -Tyr->Glu -Tyr->Gly -Tyr->His -Tyr->Lys -Tyr->Met -Tyr->Phe -Tyr->Pro -Tyr->Ser -Tyr->Thr -Tyr->Trp -Tyr->Val -Tyr->Xle -Val->Ala -Val->Arg -Val->Asn -Val->Asp -Val->CamCys -Val->Cys -Val->Gln -Val->Glu -Val->Gly -Val->His -Val->Lys -Val->Met -Val->Phe -Val->Pro -Val->Ser -Val->Thr -Val->Trp -Val->Tyr -Val->Xle -Xle->Ala -Xle->Arg -Xle->Asn -Xle->Asp -Xle->CamCys -Xle->Cys -Xle->Gln -Xle->Glu -Xle->Gly -Xle->His -Xle->Lys -Xle->Met -Xle->Phe -Xle->Pro -Xle->Ser -Xle->Thr -Xle->Trp -Xle->Tyr -Xle->Val
--- a/maxquant_mods.loc.sample.extended Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,1308 +0,0 @@ -Acetyl (K) -Acetyl (Protein N-term) -Carbamidomethyl (C) -Oxidation (M) -Phospho (STY) -Arg6 -Arg10 -Lys4 -Lys6 -Lys8 -GlyGly (K) -Methyl (KR) -Dimethyl (KR) -Trimethyl (K) -Pro5 -Pro6 -Glu->pyro-Glu -Gln->pyro-Glu -OHexNAc -DimethLys0 -DimethNter0 -DimethLys4 -DimethNter4 -DimethLys8 -DimethNter8 -18O -ICAT-0 -ICAT-9 -ICPL-Lys0 -ICPL-Nter0 -ICPL-Lys4 -ICPL-Nter4 -ICPL-Lys6 -ICPL-Nter6 -ICPL-Lys10 -ICPL-Nter10 -mTRAQ-Lys0 -mTRAQ-Nter0 -mTRAQ-Lys4 -mTRAQ-Nter4 -mTRAQ-Lys8 -mTRAQ-Nter8 -DimethLys2 -DimethNter2 -DimethLys6 -DimethNter6 -QQTGG (K) -Deamidation (N) -Deamidation 18O (N) -iTRAQ4plex-Nter114 -iTRAQ4plex-Nter115 -iTRAQ4plex-Nter116 -iTRAQ4plex-Nter117 -iTRAQ4plex-Lys114 -iTRAQ4plex-Lys115 -iTRAQ4plex-Lys116 -iTRAQ4plex-Lys117 -iTRAQ8plex-Nter113 -iTRAQ8plex-Nter114 -iTRAQ8plex-Nter115 -iTRAQ8plex-Nter116 -iTRAQ8plex-Nter117 -iTRAQ8plex-Nter118 -iTRAQ8plex-Nter119 -iTRAQ8plex-Nter121 -iTRAQ8plex-Lys113 -iTRAQ8plex-Lys114 -iTRAQ8plex-Lys115 -iTRAQ8plex-Lys116 -iTRAQ8plex-Lys117 -iTRAQ8plex-Lys118 -iTRAQ8plex-Lys119 -iTRAQ8plex-Lys121 -TMT2plex-Nter126 -TMT2plex-Nter127 -TMT2plex-Lys126 -TMT2plex-Lys127 -TMT6plex-Nter126 -TMT6plex-Nter127 -TMT6plex-Nter128 -TMT6plex-Nter129 -TMT6plex-Nter130 -TMT6plex-Nter131 -TMT6plex-Lys126 -TMT6plex-Lys127 -TMT6plex-Lys128 -TMT6plex-Lys129 -TMT6plex-Lys130 -TMT6plex-Lys131 -Deamidation (NQ) -Ala->Arg -Ala->Asn -Ala->Asp -Ala->Cys -Ala->Gln -Ala->Glu -Ala->Gly -Ala->His -Ala->Xle -Ala->Lys -Ala->Met -Ala->Phe -Ala->Pro -Ala->Ser -Ala->Thr -Ala->Trp -Ala->Tyr -Ala->Val -Arg->Ala -Arg->Asn -Arg->Asp -Arg->Cys -Arg->Gln -Arg->Glu -Arg->Gly -Arg->His -Arg->Lys -Arg->Met -Arg->Phe -Arg->Pro -Arg->Ser -Arg->Thr -Arg->Trp -Arg->Tyr -Arg->Val -Arg->Xle -Asn->Ala -Asn->Arg -Asn->Asp -Asn->Cys -Asn->Gln -Asn->Glu -Asn->Gly -Asn->His -Asn->Lys -Asn->Met -Asn->Phe -Asn->Pro -Asn->Ser -Asn->Thr -Asn->Trp -Asn->Tyr -Asn->Val -Asn->Xle -Asp->Ala -Asp->Arg -Asp->Asn -Asp->Cys -Asp->Gln -Asp->Glu -Asp->Gly -Asp->His -Asp->Lys -Asp->Met -Asp->Phe -Asp->Pro -Asp->Ser -Asp->Thr -Asp->Trp -Asp->Tyr -Asp->Val -Asp->Xle -Cys->Ala -Cys->Arg -Cys->Asn -Cys->Asp -Cys->Gln -Cys->Glu -Cys->Gly -Cys->His -Cys->Lys -Cys->Met -Cys->Phe -Cys->Pro -Cys->Ser -Cys->Thr -Cys->Trp -Cys->Tyr -Cys->Val -Cys->Xle -Gln->Ala -Gln->Arg -Gln->Asn -Gln->Asp -Gln->Cys -Gln->Glu -Gln->Gly -Gln->His -Gln->Lys -Gln->Met -Gln->Phe -Gln->Pro -Gln->Ser -Gln->Thr -Gln->Trp -Gln->Tyr -Gln->Val -Gln->Xle -Glu->Ala -Glu->Arg -Glu->Asn -Glu->Asp -Glu->Cys -Glu->Gln -Glu->Gly -Glu->His -Glu->Lys -Glu->Met -Glu->Phe -Glu->Pro -Glu->Ser -Glu->Thr -Glu->Trp -Glu->Tyr -Glu->Val -Glu->Xle -Gly->Ala -Gly->Arg -Gly->Asn -Gly->Asp -Gly->Cys -Gly->Gln -Gly->Glu -Gly->His -Gly->Lys -Gly->Met -Gly->Phe -Gly->Pro -Gly->Ser -Gly->Thr -Gly->Trp -Gly->Tyr -Gly->Val -Gly->Xle -His->Ala -His->Arg -His->Asn -His->Asp -His->Cys -His->Gln -His->Glu -His->Gly -His->Lys -His->Met -His->Phe -His->Pro -His->Ser -His->Thr -His->Trp -His->Tyr -His->Val -His->Xle -Lys->Ala -Lys->Arg -Lys->Asn -Lys->Asp -Lys->Cys -Lys->Gln -Lys->Glu -Lys->Gly -Lys->His -Lys->Met -Lys->Phe -Lys->Pro -Lys->Ser -Lys->Thr -Lys->Trp -Lys->Tyr -Lys->Val -Lys->Xle -Met->Ala -Met->Arg -Met->Asn -Met->Asp -Met->Cys -Met->Gln -Met->Glu -Met->Gly -Met->His -Met->Lys -Met->Phe -Met->Pro -Met->Ser -Met->Thr -Met->Trp -Met->Tyr -Met->Val -Met->Xle -Phe->Ala -Phe->Arg -Phe->Asn -Phe->Asp -Phe->Cys -Phe->Gln -Phe->Glu -Phe->Gly -Phe->His -Phe->Lys -Phe->Met -Phe->Pro -Phe->Ser -Phe->Thr -Phe->Trp -Phe->Tyr -Phe->Val -Phe->Xle -Pro->Ala -Pro->Arg -Pro->Asn -Pro->Asp -Pro->Cys -Pro->Gln -Pro->Glu -Pro->Gly -Pro->His -Pro->Lys -Pro->Met -Pro->Phe -Pro->Ser -Pro->Thr -Pro->Trp -Pro->Tyr -Pro->Val -Pro->Xle -Ser->Ala -Ser->Arg -Ser->Asn -Ser->Asp -Ser->Cys -Ser->Gln -Ser->Glu -Ser->Gly -Ser->His -Ser->Lys -Ser->Met -Ser->Phe -Ser->Pro -Ser->Thr -Ser->Trp -Ser->Tyr -Ser->Val -Ser->Xle -Thr->Ala -Thr->Arg -Thr->Asn -Thr->Asp -Thr->Cys -Thr->Gln -Thr->Glu -Thr->Gly -Thr->His -Thr->Lys -Thr->Met -Thr->Phe -Thr->Pro -Thr->Ser -Thr->Trp -Thr->Tyr -Thr->Val -Thr->Xle -Trp->Ala -Trp->Arg -Trp->Asn -Trp->Asp -Trp->Cys -Trp->Gln -Trp->Glu -Trp->Gly -Trp->His -Trp->Lys -Trp->Met -Trp->Phe -Trp->Pro -Trp->Ser -Trp->Thr -Trp->Tyr -Trp->Val -Trp->Xle -Tyr->Ala -Tyr->Arg -Tyr->Asn -Tyr->Asp -Tyr->Cys -Tyr->Gln -Tyr->Glu -Tyr->Gly -Tyr->His -Tyr->Lys -Tyr->Met -Tyr->Phe -Tyr->Pro -Tyr->Ser -Tyr->Thr -Tyr->Trp -Tyr->Val -Tyr->Xle -Val->Ala -Val->Arg -Val->Asn -Val->Asp -Val->Cys -Val->Gln -Val->Glu -Val->Gly -Val->His -Val->Lys -Val->Met -Val->Phe -Val->Pro -Val->Ser -Val->Thr -Val->Trp -Val->Tyr -Val->Xle -Xle->Ala -Xle->Arg -Xle->Asn -Xle->Asp -Xle->Cys -Xle->Gln -Xle->Glu -Xle->Gly -Xle->His -Xle->Lys -Xle->Met -Xle->Phe -Xle->Pro -Xle->Ser -Xle->Thr -Xle->Trp -Xle->Tyr -Xle->Val -CamCys->Ala -CamCys->Arg -CamCys->Asn -CamCys->Asp -CamCys->Gln -CamCys->Glu -CamCys->Gly -CamCys->His -CamCys->Lys -CamCys->Met -CamCys->Phe -CamCys->Pro -CamCys->Ser -CamCys->Thr -CamCys->Trp -CamCys->Tyr -CamCys->Val -CamCys->Xle -Ala->CamCys -Arg->CamCys -Asn->CamCys -Asp->CamCys -Gln->CamCys -Glu->CamCys -Gly->CamCys -His->CamCys -Lys->CamCys -Met->CamCys -Phe->CamCys -Pro->CamCys -Ser->CamCys -Thr->CamCys -Trp->CamCys -Tyr->CamCys -Val->CamCys -Xle->CamCys -Leu7 -Ile7 -Acetyl (T) [Unimod] -Acetyl (N-term) [Unimod] -Acetyl (S) [Unimod] -Acetyl (C) [Unimod] -Acetyl (N-term) [Unimod] -Acetyl (K) [Unimod] -Acetyl (Y) [Unimod] -Acetyl (H) [Unimod] -Amidated (C-term) [Unimod] -Amidated (C-term) [Unimod] -Biotin (N-term) [Unimod] -Biotin (K) [Unimod] -Carbamidomethyl (D) [Unimod] -Carbamidomethyl (H) [Unimod] -Carbamidomethyl (N-term) [Unimod] -Carbamidomethyl (K) [Unimod] -Carbamidomethyl (C) [Unimod] -Carbamidomethyl (E) [Unimod] -Carbamyl (C) [Unimod] -Carbamyl (R) [Unimod] -Carbamyl (N-term) [Unimod] -Carbamyl (K) [Unimod] -Carbamyl (M) [Unimod] -Carboxymethyl (N-term) [Unimod] -Carboxymethyl (K) [Unimod] -Carboxymethyl (C) [Unimod] -Carboxymethyl (W) [Unimod] -Deamidated (R) [Unimod] -Deamidated (N) [Unimod] -Deamidated (Q) [Unimod] -Deamidated (F) [Unimod] -ICAT-G (C) [Unimod] -ICAT-G:2H(8) (C) [Unimod] -Met->Hse (M) [Unimod] -Met->Hsl (M) [Unimod] -ICAT-D:2H(8) (C) [Unimod] -ICAT-D (C) [Unimod] -NIPCAM (C) [Unimod] -PEO-Iodoacetyl-LC-Biotin (C) [Unimod] -Phospho (R) [Unimod] -Phospho (C) [Unimod] -Phospho (D) [Unimod] -Phospho (Y) [Unimod] -Phospho (H) [Unimod] -Phospho (T) [Unimod] -Phospho (S) [Unimod] -Dehydrated (D) [Unimod] -Dehydrated (Y) [Unimod] -Dehydrated (T) [Unimod] -Dehydrated (S) [Unimod] -Dehydrated (N) [Unimod] -Dehydrated (Q) [Unimod] -Dehydrated (C) [Unimod] -Propionamide (C) [Unimod] -Pyridylacetyl (N-term) [Unimod] -Pyridylacetyl (K) [Unimod] -Pyro-carbamidomethyl (C) [Unimod] -Glu->pyro-Glu (E) [Unimod] -Gln->pyro-Glu (Q) [Unimod] -SMA (N-term) [Unimod] -SMA (K) [Unimod] -Pyridylethyl (C) [Unimod] -Methyl (T) [Unimod] -Methyl (S) [Unimod] -Methyl (N-term) [Unimod] -Methyl (E) [Unimod] -Methyl (D) [Unimod] -Methyl (C-term) [Unimod] -Methyl (L) [Unimod] -Methyl (I) [Unimod] -Methyl (R) [Unimod] -Methyl (N-term) [Unimod] -Methyl (Q) [Unimod] -Methyl (N) [Unimod] -Methyl (K) [Unimod] -Methyl (H) [Unimod] -Methyl (C) [Unimod] -Oxidation (W) [Unimod] -Oxidation (H) [Unimod] -Oxidation (C) [Unimod] -Oxidation (M) [Unimod] -Oxidation (R) [Unimod] -Oxidation (Y) [Unimod] -Oxidation (F) [Unimod] -Oxidation (P) [Unimod] -Oxidation (N) [Unimod] -Oxidation (K) [Unimod] -Oxidation (D) [Unimod] -Oxidation (G) [Unimod] -Dimethyl (N) [Unimod] -Dimethyl (N-term) [Unimod] -Dimethyl (R) [Unimod] -Dimethyl (K) [Unimod] -Dimethyl (P) [Unimod] -Trimethyl (A) [Unimod] -Trimethyl (R) [Unimod] -Trimethyl (K) [Unimod] -Methylthio (C) [Unimod] -Methylthio (N) [Unimod] -Methylthio (D) [Unimod] -Sulfo (Y) [Unimod] -Sulfo (T) [Unimod] -Sulfo (S) [Unimod] -Sulfo (C) [Unimod] -Lipoyl (K) [Unimod] -Farnesyl (C) [Unimod] -Myristoyl (C) [Unimod] -Myristoyl (K) [Unimod] -Myristoyl (G) [Unimod] -PyridoxalPhosphate (K) [Unimod] -Palmitoyl (T) [Unimod] -Palmitoyl (S) [Unimod] -Palmitoyl (K) [Unimod] -Palmitoyl (C) [Unimod] -Palmitoyl (N-term) [Unimod] -GeranylGeranyl (C) [Unimod] -Phosphopantetheine (S) [Unimod] -FAD (Y) [Unimod] -FAD (H) [Unimod] -FAD (C) [Unimod] -Tripalmitate (C) [Unimod] -Guanidinyl (K) [Unimod] -HNE (K) [Unimod] -HNE (H) [Unimod] -HNE (C) [Unimod] -Glucuronyl (N-term) [Unimod] -Glucuronyl (S) [Unimod] -Glutathione (C) [Unimod] -Acetyl:2H(3) (N-term) [Unimod] -Acetyl:2H(3) (K) [Unimod] -Propionyl (N-term) [Unimod] -Propionyl (K) [Unimod] -Propionyl:13C(3) (N-term) [Unimod] -Propionyl:13C(3) (K) [Unimod] -GIST-Quat (N-term) [Unimod] -GIST-Quat (K) [Unimod] -GIST-Quat:2H(3) (N-term) [Unimod] -GIST-Quat:2H(3) (K) [Unimod] -GIST-Quat:2H(6) (N-term) [Unimod] -GIST-Quat:2H(6) (K) [Unimod] -GIST-Quat:2H(9) (N-term) [Unimod] -GIST-Quat:2H(9) (K) [Unimod] -Succinyl (N-term) [Unimod] -Succinyl (N-term) [Unimod] -Succinyl (K) [Unimod] -Succinyl:2H(4) (N-term) [Unimod] -Succinyl:2H(4) (K) [Unimod] -Succinyl:13C(4) (N-term) [Unimod] -Succinyl:13C(4) (K) [Unimod] -probiotinhydrazide (P) [Unimod] -Pro->pyro-Glu (P) [Unimod] -His->Asn (H) [Unimod] -His->Asp (H) [Unimod] -Trp->Hydroxykynurenin (W) [Unimod] -Delta:H(4)C(3) (K) [Unimod] -Delta:H(4)C(3) (H) [Unimod] -Delta:H(4)C(2) (K) [Unimod] -Delta:H(4)C(2) (H) [Unimod] -Cys->Dha (C) [Unimod] -Arg->GluSA (R) [Unimod] -Trioxidation (C) [Unimod] -Iminobiotin (N-term) [Unimod] -Iminobiotin (K) [Unimod] -ESP (N-term) [Unimod] -ESP (K) [Unimod] -ESP:2H(10) (N-term) [Unimod] -ESP:2H(10) (K) [Unimod] -NHS-LC-Biotin (N-term) [Unimod] -NHS-LC-Biotin (K) [Unimod] -EDT-maleimide-PEO-biotin (T) [Unimod] -EDT-maleimide-PEO-biotin (S) [Unimod] -IMID (K) [Unimod] -IMID:2H(4) (K) [Unimod] -Lysbiotinhydrazide (K) [Unimod] -Propionamide:2H(3) (C) [Unimod] -Nitro (Y) [Unimod] -Nitro (W) [Unimod] -ICAT-C (C) [Unimod] -Delta:H(2)C(2) (K) [Unimod] -Delta:H(2)C(2) (H) [Unimod] -Trp->Kynurenin (W) [Unimod] -Lys->Allysine (K) [Unimod] -ICAT-C:13C(9) (C) [Unimod] -FormylMet (N-term) [Unimod] -Nethylmaleimide (C) [Unimod] -OxLysBiotinRed (K) [Unimod] -IBTP (C) [Unimod] -OxLysBiotin (K) [Unimod] -OxProBiotinRed (P) [Unimod] -OxProBiotin (P) [Unimod] -OxArgBiotin (R) [Unimod] -OxArgBiotinRed (R) [Unimod] -EDT-iodoacetyl-PEO-biotin (T) [Unimod] -EDT-iodoacetyl-PEO-biotin (S) [Unimod] -GlyGly (T) [Unimod] -GlyGly (S) [Unimod] -GlyGly (C) [Unimod] -GlyGly (K) [Unimod] -Formyl (N-term) [Unimod] -Formyl (T) [Unimod] -Formyl (K) [Unimod] -Formyl (N-term) [Unimod] -Formyl (S) [Unimod] -Cation:K (C-term) [Unimod] -Cation:K (E) [Unimod] -Cation:K (D) [Unimod] -Thioacyl (N-term) [Unimod] -Thioacyl (K) [Unimod] -Fluoro (W) [Unimod] -Fluoro (F) [Unimod] -Fluoro (Y) [Unimod] -Fluorescein (C) [Unimod] -Iodo (H) [Unimod] -Iodo (Y) [Unimod] -Diiodo (Y) [Unimod] -Triiodo (Y) [Unimod] -Myristoleyl (G) [Unimod] -Pro->Pyrrolidinone (P) [Unimod] -Myristoyl+Delta:H(-4) (G) [Unimod] -Benzoyl (N-term) [Unimod] -Benzoyl (K) [Unimod] -Dansyl (N-term) [Unimod] -Dansyl (K) [Unimod] -a-type-ion (C-term) [Unimod] -Amidine (N-term) [Unimod] -Amidine (K) [Unimod] -NBS:13C(6) (W) [Unimod] -Methyl:2H(3)13C(1) (R) [Unimod] -Dimethyl:2H(6)13C(2) (R) [Unimod] -NBS (W) [Unimod] -Delta:H(1)O(-1)18O(1) (N) [Unimod] -QAT (C) [Unimod] -BHT (H) [Unimod] -BHT (K) [Unimod] -BHT (C) [Unimod] -Delta:H(4)C(2)O(-1)S(1) (S) [Unimod] -DAET (T) [Unimod] -DAET (S) [Unimod] -Pro->Pyrrolidone (P) [Unimod] -Label:13C(9) (Y) [Unimod] -Label:13C(9) (F) [Unimod] -Label:13C(9)+Phospho (Y) [Unimod] -Label:13C(6) (I) [Unimod] -Label:13C(6) (L) [Unimod] -Label:13C(6) (K) [Unimod] -Label:13C(6) (R) [Unimod] -HPG (R) [Unimod] -2HPG (R) [Unimod] -QAT:2H(3) (C) [Unimod] -Label:18O(2) (C-term) [Unimod] -AccQTag (N-term) [Unimod] -AccQTag (K) [Unimod] -Dimethyl:2H(4) (N-term) [Unimod] -Dimethyl:2H(4) (N-term) [Unimod] -Dimethyl:2H(4) (K) [Unimod] -EQAT (C) [Unimod] -EQAT:2H(5) (C) [Unimod] -Ethanedithiol (T) [Unimod] -Ethanedithiol (S) [Unimod] -NEIAA:2H(5) (Y) [Unimod] -NEIAA:2H(5) (C) [Unimod] -Delta:H(6)C(6)O(1) (K) [Unimod] -Delta:H(4)C(3)O(1) (K) [Unimod] -Delta:H(4)C(3)O(1) (H) [Unimod] -Delta:H(4)C(3)O(1) (C) [Unimod] -Delta:H(2)C(3) (K) [Unimod] -Delta:H(4)C(6) (K) [Unimod] -Delta:H(8)C(6)O(2) (K) [Unimod] -ADP-Ribosyl (E) [Unimod] -ADP-Ribosyl (S) [Unimod] -ADP-Ribosyl (N) [Unimod] -ADP-Ribosyl (C) [Unimod] -ADP-Ribosyl (R) [Unimod] -NEIAA (Y) [Unimod] -NEIAA (C) [Unimod] -iTRAQ4plex (Y) [Unimod] -iTRAQ4plex (N-term) [Unimod] -iTRAQ4plex (K) [Unimod] -Crotonaldehyde (K) [Unimod] -Crotonaldehyde (H) [Unimod] -Crotonaldehyde (C) [Unimod] -Amino (Y) [Unimod] -Argbiotinhydrazide (R) [Unimod] -Label:18O(1) (Y) [Unimod] -Label:18O(1) (T) [Unimod] -Label:18O(1) (S) [Unimod] -Label:18O(1) (C-term) [Unimod] -Label:13C(6)15N(2) (K) [Unimod] -Thiophospho (Y) [Unimod] -Thiophospho (T) [Unimod] -Thiophospho (S) [Unimod] -SPITC (K) [Unimod] -SPITC (N-term) [Unimod] -Cytopiloyne (Y) [Unimod] -Cytopiloyne (S) [Unimod] -Cytopiloyne (R) [Unimod] -Cytopiloyne (P) [Unimod] -Cytopiloyne (N-term) [Unimod] -Cytopiloyne (K) [Unimod] -Cytopiloyne (C) [Unimod] -Cytopiloyne+water (Y) [Unimod] -Cytopiloyne+water (T) [Unimod] -Cytopiloyne+water (S) [Unimod] -Cytopiloyne+water (R) [Unimod] -Cytopiloyne+water (N-term) [Unimod] -Cytopiloyne+water (K) [Unimod] -Cytopiloyne+water (C) [Unimod] -Label:13C(6)15N(4) (R) [Unimod] -Label:13C(9)15N(1) (F) [Unimod] -Label:2H(3) (L) [Unimod] -Label:13C(5)15N(1) (V) [Unimod] -PET (T) [Unimod] -PET (S) [Unimod] -CAF (N-term) [Unimod] -Xlink:SSD (K) [Unimod] -Nitrosyl (C) [Unimod] -AEBS (Y) [Unimod] -AEBS (S) [Unimod] -AEBS (N-term) [Unimod] -AEBS (K) [Unimod] -AEBS (H) [Unimod] -Ethanolyl (C) [Unimod] -HMVK (C) [Unimod] -Ethyl (N-term) [Unimod] -Ethyl (K) [Unimod] -Ethyl (E) [Unimod] -Ethyl (N-term) [Unimod] -CoenzymeA (C) [Unimod] -Methyl+Deamidated (Q) [Unimod] -Methyl+Deamidated (N) [Unimod] -Delta:H(5)C(2) (P) [Unimod] -Methyl:2H(2) (K) [Unimod] -SulfanilicAcid (E) [Unimod] -SulfanilicAcid (D) [Unimod] -SulfanilicAcid (C-term) [Unimod] -SulfanilicAcid:13C(6) (E) [Unimod] -SulfanilicAcid:13C(6) (D) [Unimod] -SulfanilicAcid:13C(6) (C-term) [Unimod] -Biotin-PEO-Amine (D) [Unimod] -Biotin-PEO-Amine (C-term) [Unimod] -Biotin-PEO-Amine (E) [Unimod] -Trp->Oxolactone (W) [Unimod] -Biotin-HPDP (C) [Unimod] -IodoU-AMP (Y) [Unimod] -IodoU-AMP (W) [Unimod] -IodoU-AMP (F) [Unimod] -CAMthiopropanoyl (N-term) [Unimod] -CAMthiopropanoyl (K) [Unimod] -IED-Biotin (C) [Unimod] -Methyl:2H(3) (E) [Unimod] -Methyl:2H(3) (D) [Unimod] -Methyl:2H(3) (C-term) [Unimod] -Carboxy (E) [Unimod] -Carboxy (D) [Unimod] -Carboxy (K) [Unimod] -Carboxy (W) [Unimod] -Carboxy (M) [Unimod] -Bromobimane (C) [Unimod] -Menadione (K) [Unimod] -Menadione (C) [Unimod] -DeStreak (C) [Unimod] -Cysteinyl (C) [Unimod] -Lys-loss (K) [Unimod] -Nmethylmaleimide (K) [Unimod] -Nmethylmaleimide (C) [Unimod] -CyDye-Cy3 (C) [Unimod] -DimethylpyrroleAdduct (K) [Unimod] -Delta:H(2)C(5) (K) [Unimod] -Delta:H(2)C(3)O(1) (K) [Unimod] -Delta:H(2)C(3)O(1) (R) [Unimod] -Nethylmaleimide+water (K) [Unimod] -Nethylmaleimide+water (C) [Unimod] -Methyl+Acetyl:2H(3) (K) [Unimod] -Xlink:B10621 (C) [Unimod] -DTBP (N-term) [Unimod] -DTBP (K) [Unimod] -DTBP (R) [Unimod] -DTBP (Q) [Unimod] -DTBP (N) [Unimod] -FP-Biotin (T) [Unimod] -FP-Biotin (Y) [Unimod] -FP-Biotin (S) [Unimod] -Thiophos-S-S-biotin (Y) [Unimod] -Thiophos-S-S-biotin (T) [Unimod] -Thiophos-S-S-biotin (S) [Unimod] -Can-FP-biotin (T) [Unimod] -Can-FP-biotin (Y) [Unimod] -Can-FP-biotin (S) [Unimod] -HNE+Delta:H(2) (K) [Unimod] -HNE+Delta:H(2) (H) [Unimod] -HNE+Delta:H(2) (C) [Unimod] -Thrbiotinhydrazide (T) [Unimod] -Methylamine (T) [Unimod] -Methylamine (S) [Unimod] -Diisopropylphosphate (Y) [Unimod] -Diisopropylphosphate (T) [Unimod] -Diisopropylphosphate (S) [Unimod] -Isopropylphospho (Y) [Unimod] -Isopropylphospho (T) [Unimod] -Isopropylphospho (S) [Unimod] -ICPL:13C(6) (N-term) [Unimod] -ICPL:13C(6) (N-term) [Unimod] -ICPL:13C(6) (K) [Unimod] -ICPL (N-term) [Unimod] -ICPL (K) [Unimod] -ICPL (N-term) [Unimod] -Deamidated:18O(1) (Q) [Unimod] -Deamidated:18O(1) (N) [Unimod] -Arg->Orn (R) [Unimod] -Dehydro (C) [Unimod] -Diphthamide (H) [Unimod] -Hydroxyfarnesyl (C) [Unimod] -Diacylglycerol (C) [Unimod] -Carboxyethyl (K) [Unimod] -Hypusine (K) [Unimod] -Retinylidene (K) [Unimod] -Lys->AminoadipicAcid (K) [Unimod] -Cys->PyruvicAcid (C) [Unimod] -Ammonia-loss (C) [Unimod] -Ammonia-loss (S) [Unimod] -Ammonia-loss (T) [Unimod] -Ammonia-loss (N) [Unimod] -Phycocyanobilin (C) [Unimod] -Phycoerythrobilin (C) [Unimod] -Phytochromobilin (C) [Unimod] -Quinone (W) [Unimod] -Quinone (Y) [Unimod] -GPIanchor (C-term) [Unimod] -PhosphoribosyldephosphoCoA (S) [Unimod] -GlycerylPE (E) [Unimod] -Triiodothyronine (Y) [Unimod] -Thyroxine (Y) [Unimod] -Tyr->Dha (Y) [Unimod] -Didehydro (S) [Unimod] -Didehydro (Y) [Unimod] -Didehydro (T) [Unimod] -Didehydro (K) [Unimod] -Cys->Oxoalanine (C) [Unimod] -Ser->LacticAcid (S) [Unimod] -GluGlu (E) [Unimod] -GluGlu (C-term) [Unimod] -Phosphoadenosine (H) [Unimod] -Phosphoadenosine (T) [Unimod] -Phosphoadenosine (K) [Unimod] -Phosphoadenosine (Y) [Unimod] -Glu (E) [Unimod] -Glu (C-term) [Unimod] -Hydroxycinnamyl (C) [Unimod] -Glycosyl (P) [Unimod] -FMNH (H) [Unimod] -FMNH (C) [Unimod] -Archaeol (C) [Unimod] -Phenylisocyanate (N-term) [Unimod] -Phenylisocyanate:2H(5) (N-term) [Unimod] -Phosphoguanosine (H) [Unimod] -Phosphoguanosine (K) [Unimod] -Hydroxymethyl (N) [Unimod] -Dipyrrolylmethanemethyl (C) [Unimod] -PhosphoUridine (H) [Unimod] -PhosphoUridine (Y) [Unimod] -Glycerophospho (S) [Unimod] -Carboxy->Thiocarboxy (G) [Unimod] -Sulfide (C) [Unimod] -PyruvicAcidIminyl (K) [Unimod] -PyruvicAcidIminyl (V) [Unimod] -PyruvicAcidIminyl (C) [Unimod] -Dioxidation (Y) [Unimod] -Dioxidation (W) [Unimod] -Dioxidation (F) [Unimod] -Dioxidation (M) [Unimod] -Dioxidation (R) [Unimod] -Dioxidation (K) [Unimod] -Dioxidation (P) [Unimod] -Dioxidation (C) [Unimod] -Octanoyl (T) [Unimod] -Octanoyl (S) [Unimod] -Palmitoleyl (C) [Unimod] -Cholesterol (C-term) [Unimod] -Didehydroretinylidene (K) [Unimod] -CHDH (D) [Unimod] -Methylpyrroline (K) [Unimod] -MicrocinC7 (C-term) [Unimod] -Cyano (C) [Unimod] -Amidino (C) [Unimod] -FMN (S) [Unimod] -FMN (T) [Unimod] -FMNC (C) [Unimod] -Hydroxytrimethyl (K) [Unimod] -Deoxy (T) [Unimod] -Deoxy (D) [Unimod] -Deoxy (S) [Unimod] -Microcin (C-term) [Unimod] -Decanoyl (T) [Unimod] -Decanoyl (S) [Unimod] -GluGluGlu (C-term) [Unimod] -GluGluGlu (E) [Unimod] -GluGluGluGlu (C-term) [Unimod] -GluGluGluGlu (E) [Unimod] -HexN (W) [Unimod] -HexN (T) [Unimod] -HexN (N) [Unimod] -HexN (K) [Unimod] -Xlink:DMP-s (N-term) [Unimod] -Xlink:DMP-s (K) [Unimod] -Xlink:DMP (N-term) [Unimod] -Xlink:DMP (K) [Unimod] -NDA (N-term) [Unimod] -NDA (K) [Unimod] -SPITC:13C(6) (N-term) [Unimod] -SPITC:13C(6) (K) [Unimod] -TMAB:2H(9) (N-term) [Unimod] -TMAB:2H(9) (K) [Unimod] -TMAB (N-term) [Unimod] -TMAB (K) [Unimod] -FTC (S) [Unimod] -FTC (R) [Unimod] -FTC (P) [Unimod] -FTC (K) [Unimod] -FTC (C) [Unimod] -AEC-MAEC (T) [Unimod] -AEC-MAEC (S) [Unimod] -BADGE (C) [Unimod] -Label:2H(4) (K) [Unimod] -CyDye-Cy5 (C) [Unimod] -DHP (C) [Unimod] -BHTOH (H) [Unimod] -BHTOH (C) [Unimod] -BHTOH (K) [Unimod] -Nmethylmaleimide+water (C) [Unimod] -PyMIC (N-term) [Unimod] -LG-lactam-K (N-term) [Unimod] -LG-lactam-K (K) [Unimod] -BisANS (K) [Unimod] -Piperidine (N-term) [Unimod] -Piperidine (K) [Unimod] -Diethyl (N-term) [Unimod] -Diethyl (K) [Unimod] -LG-Hlactam-K (N-term) [Unimod] -LG-Hlactam-K (K) [Unimod] -Dimethyl:2H(4)13C(2) (N-term) [Unimod] -Dimethyl:2H(4)13C(2) (K) [Unimod] -C8-QAT (N-term) [Unimod] -C8-QAT (K) [Unimod] -LG-lactam-R (R) [Unimod] -CLIP_TRAQ_1 (N-term) [Unimod] -CLIP_TRAQ_1 (K) [Unimod] -CLIP_TRAQ_1 (Y) [Unimod] -CLIP_TRAQ_2 (N-term) [Unimod] -CLIP_TRAQ_2 (K) [Unimod] -CLIP_TRAQ_2 (Y) [Unimod] -LG-Hlactam-R (R) [Unimod] -Maleimide-PEO2-Biotin (C) [Unimod] -Sulfo-NHS-LC-LC-Biotin (N-term) [Unimod] -Sulfo-NHS-LC-LC-Biotin (K) [Unimod] -FNEM (C) [Unimod] -PropylNAGthiazoline (C) [Unimod] -Dethiomethyl (M) [Unimod] -iTRAQ4plex114 (Y) [Unimod] -iTRAQ4plex114 (N-term) [Unimod] -iTRAQ4plex114 (K) [Unimod] -iTRAQ4plex115 (Y) [Unimod] -iTRAQ4plex115 (N-term) [Unimod] -iTRAQ4plex115 (K) [Unimod] -LeuArgGlyGly (K) [Unimod] -CLIP_TRAQ_3 (Y) [Unimod] -CLIP_TRAQ_3 (N-term) [Unimod] -CLIP_TRAQ_3 (K) [Unimod] -CLIP_TRAQ_4 (N-term) [Unimod] -CLIP_TRAQ_4 (K) [Unimod] -CLIP_TRAQ_4 (Y) [Unimod] -15dB-biotin (C) [Unimod] -PGA1-biotin (C) [Unimod] -Ala->Ser (A) [Unimod] -Ala->Thr (A) [Unimod] -Ala->Asp (A) [Unimod] -Ala->Pro (A) [Unimod] -Ala->Gly (A) [Unimod] -Ala->Glu (A) [Unimod] -Ala->Val (A) [Unimod] -Cys->Phe (C) [Unimod] -Cys->Ser (C) [Unimod] -Cys->Trp (C) [Unimod] -Cys->Tyr (C) [Unimod] -Cys->Arg (C) [Unimod] -Cys->Gly (C) [Unimod] -Asp->Ala (D) [Unimod] -Asp->His (D) [Unimod] -Asp->Asn (D) [Unimod] -Asp->Gly (D) [Unimod] -Asp->Tyr (D) [Unimod] -Asp->Glu (D) [Unimod] -Asp->Val (D) [Unimod] -Glu->Ala (E) [Unimod] -Glu->Gln (E) [Unimod] -Glu->Asp (E) [Unimod] -Glu->Lys (E) [Unimod] -Glu->Gly (E) [Unimod] -Glu->Val (E) [Unimod] -Phe->Ser (F) [Unimod] -Phe->Cys (F) [Unimod] -Phe->Ile (F) [Unimod] -Phe->Tyr (F) [Unimod] -Phe->Val (F) [Unimod] -Gly->Ala (G) [Unimod] -Gly->Ser (G) [Unimod] -Gly->Trp (G) [Unimod] -Gly->Glu (G) [Unimod] -Gly->Val (G) [Unimod] -Gly->Asp (G) [Unimod] -Gly->Cys (G) [Unimod] -Gly->Arg (G) [Unimod] -dNIC (N-term) [Unimod] -His->Pro (H) [Unimod] -His->Tyr (H) [Unimod] -His->Gln (H) [Unimod] -NIC (N-term) [Unimod] -His->Arg (H) [Unimod] -His->Leu (H) [Unimod] -Ile->Phe (I) [Unimod] -Ile->Ser (I) [Unimod] -Ile->Thr (I) [Unimod] -Ile->Asn (I) [Unimod] -Ile->Lys (I) [Unimod] -Ile->Val (I) [Unimod] -Ile->Met (I) [Unimod] -Ile->Arg (I) [Unimod] -Lys->Thr (K) [Unimod] -Lys->Asn (K) [Unimod] -Lys->Glu (K) [Unimod] -Lys->Gln (K) [Unimod] -Lys->Met (K) [Unimod] -Lys->Arg (K) [Unimod] -Lys->Ile (K) [Unimod] -Leu->Ser (L) [Unimod] -Leu->Phe (L) [Unimod] -Leu->Trp (L) [Unimod] -Leu->Pro (L) [Unimod] -Leu->Val (L) [Unimod] -Leu->His (L) [Unimod] -Leu->Gln (L) [Unimod] -Leu->Met (L) [Unimod] -Leu->Arg (L) [Unimod] -Met->Thr (M) [Unimod] -Met->Arg (M) [Unimod] -Met->Ile (M) [Unimod] -Met->Lys (M) [Unimod] -Met->Leu (M) [Unimod] -Met->Val (M) [Unimod] -Asn->Ser (N) [Unimod] -Asn->Thr (N) [Unimod] -Asn->Lys (N) [Unimod] -Asn->Tyr (N) [Unimod] -Asn->His (N) [Unimod] -Asn->Asp (N) [Unimod] -Asn->Ile (N) [Unimod] -Pro->Ser (P) [Unimod] -Pro->Ala (P) [Unimod] -Pro->His (P) [Unimod] -Pro->Gln (P) [Unimod] -Pro->Thr (P) [Unimod] -Pro->Arg (P) [Unimod] -Pro->Leu (P) [Unimod] -Gln->Pro (Q) [Unimod] -Gln->Lys (Q) [Unimod] -Gln->Glu (Q) [Unimod] -Gln->His (Q) [Unimod] -Gln->Arg (Q) [Unimod] -Gln->Leu (Q) [Unimod] -Arg->Ser (R) [Unimod] -Arg->Trp (R) [Unimod] -Arg->Thr (R) [Unimod] -Arg->Pro (R) [Unimod] -Arg->Lys (R) [Unimod] -Arg->His (R) [Unimod] -Arg->Gln (R) [Unimod] -Arg->Met (R) [Unimod] -Arg->Cys (R) [Unimod] -Arg->Ile (R) [Unimod] -Arg->Gly (R) [Unimod] -Ser->Phe (S) [Unimod] -Ser->Ala (S) [Unimod] -Ser->Trp (S) [Unimod] -Ser->Thr (S) [Unimod] -Ser->Asn (S) [Unimod] -Ser->Pro (S) [Unimod] -Ser->Tyr (S) [Unimod] -Ser->Cys (S) [Unimod] -Ser->Arg (S) [Unimod] -Ser->Ile (S) [Unimod] -Ser->Gly (S) [Unimod] -Thr->Ser (T) [Unimod] -Thr->Ala (T) [Unimod] -Thr->Asn (T) [Unimod] -Thr->Lys (T) [Unimod] -Thr->Pro (T) [Unimod] -Thr->Met (T) [Unimod] -Thr->Ile (T) [Unimod] -Thr->Arg (T) [Unimod] -Val->Phe (V) [Unimod] -Val->Ala (V) [Unimod] -Val->Glu (V) [Unimod] -Val->Met (V) [Unimod] -Val->Asp (V) [Unimod] -Val->Ile (V) [Unimod] -Val->Gly (V) [Unimod] -Trp->Ser (W) [Unimod] -Trp->Cys (W) [Unimod] -Trp->Arg (W) [Unimod] -Trp->Gly (W) [Unimod] -Trp->Leu (W) [Unimod] -Tyr->Phe (Y) [Unimod] -Tyr->Ser (Y) [Unimod] -Tyr->Asn (Y) [Unimod] -Tyr->His (Y) [Unimod] -Tyr->Asp (Y) [Unimod] -Tyr->Cys (Y) [Unimod] -NA-LNO2 (C) [Unimod] -NA-LNO2 (H) [Unimod] -NA-OA-NO2 (C) [Unimod] -NA-OA-NO2 (H) [Unimod] -ICPL:2H(4) (N-term) [Unimod] -ICPL:2H(4) (N-term) [Unimod] -ICPL:2H(4) (K) [Unimod] -iTRAQ8plex (Y) [Unimod] -iTRAQ8plex (N-term) [Unimod] -iTRAQ8plex (K) [Unimod] -Label:13C(6)15N(1) (I) [Unimod] -Label:13C(6)15N(1) (L) [Unimod] -Label:2H(9)13C(6)15N(2) (K) [Unimod] -HNE-Delta:H(2)O (K) [Unimod] -HNE-Delta:H(2)O (H) [Unimod] -HNE-Delta:H(2)O (C) [Unimod] -4-ONE (K) [Unimod] -4-ONE (H) [Unimod] -4-ONE (C) [Unimod] -O-Dimethylphosphate (Y) [Unimod] -O-Dimethylphosphate (T) [Unimod] -O-Dimethylphosphate (S) [Unimod] -O-Methylphosphate (Y) [Unimod] -O-Methylphosphate (T) [Unimod] -O-Methylphosphate (S) [Unimod] -O-Diethylphosphate (Y) [Unimod] -O-Diethylphosphate (T) [Unimod] -O-Diethylphosphate (S) [Unimod] -O-Ethylphosphate (Y) [Unimod] -O-Ethylphosphate (T) [Unimod] -O-Ethylphosphate (S) [Unimod] -O-pinacolylmethylphosphonate (Y) [Unimod] -O-pinacolylmethylphosphonate (T) [Unimod] -O-pinacolylmethylphosphonate (S) [Unimod] -Methylphosphonate (Y) [Unimod] -Methylphosphonate (T) [Unimod] -Methylphosphonate (S) [Unimod] -O-Isopropylmethylphosphonate (Y) [Unimod] -O-Isopropylmethylphosphonate (T) [Unimod] -O-Isopropylmethylphosphonate (S) [Unimod] -iTRAQ8plex:13C(6)15N(2) (Y) [Unimod] -iTRAQ8plex:13C(6)15N(2) (N-term) [Unimod] -iTRAQ8plex:13C(6)15N(2) (K) [Unimod] -DTT_ST (S) [Unimod] -DTT_ST (T) [Unimod] -Ethanolamine (D) [Unimod] -Ethanolamine (C-term) [Unimod] -Ethanolamine (E) [Unimod] -TMT6plex (K) [Unimod] -TMT6plex (N-term) [Unimod] -DTT_C (C) [Unimod] -TMT2plex (N-term) [Unimod] -TMT2plex (K) [Unimod] -TMT (N-term) [Unimod] -TMT (K) [Unimod] -ExacTagThiol (C) [Unimod] -ExacTagAmine (K) [Unimod] -NO_SMX_SEMD (C) [Unimod] -4-ONE+Delta:H(-2)O(-1) (K) [Unimod] -4-ONE+Delta:H(-2)O(-1) (H) [Unimod] -4-ONE+Delta:H(-2)O(-1) (C) [Unimod] -NO_SMX_SMCT (C) [Unimod] -NO_SMX_SIMD (C) [Unimod] -Malonyl (C) [Unimod] -Malonyl (S) [Unimod] -3sulfo (N-term) [Unimod] -trifluoro (L) [Unimod] -TNBS (N-term) [Unimod] -TNBS (K) [Unimod] -Biotin-phenacyl (C) [Unimod] -Biotin-phenacyl (H) [Unimod] -Biotin-phenacyl (S) [Unimod] -DTT_C:2H(6) (C) [Unimod] -lapachenole (C) [Unimod] -Label:13C(5) (P) [Unimod] -maleimide (K) [Unimod] -maleimide (C) [Unimod] -DTT_ST:2H(6) (T) [Unimod] -DTT_ST:2H(6) (S) [Unimod] -Met-loss (M) [Unimod] -Met-loss+Acetyl (M) [Unimod] -Menadione-HQ (K) [Unimod] -Menadione-HQ (C) [Unimod] -Carboxymethyl:13C(2) (C) [Unimod] -NEM:2H(5) (C) [Unimod] -Gly-loss+Amide (G) [Unimod] -TMPP-Ac (N-term) [Unimod] -Label:13C(6)+GlyGly (K) [Unimod] -Arg->Npo (R) [Unimod] -Label:2H(4)+Acetyl (K) [Unimod] -Pentylamine (Q) [Unimod] -PentylamineBiotin (Q) [Unimod] -Dihydroxyimidazolidine (R) [Unimod] -DFDNB (Q) [Unimod] -DFDNB (N) [Unimod] -DFDNB (R) [Unimod] -DFDNB (K) [Unimod] -Cy3b-maleimide (C) [Unimod] -AEC-MAEC:2H(4) (S) [Unimod] -AEC-MAEC:2H(4) (T) [Unimod] -BMOE (C) [Unimod] -Biotin-PEO4-hydrazide (C-term) [Unimod] -Label:13C(6)+Acetyl (K) [Unimod] -Label:13C(6)15N(2)+Acetyl (K) [Unimod] -EQIGG (K) [Unimod] -cGMP (C) [Unimod] -cGMP+RMP-loss (C) [Unimod] -Arg2PG (R) [Unimod] -Label:2H(4)+GlyGly (K) [Unimod] -Label:13C(8)15N(2) (R) [Unimod] -Label:13C(1)2H(3) (M) [Unimod] -ZGB (K) [Unimod] -ZGB (N-term) [Unimod] -MG-H1 (R) [Unimod] -G-H1 (R) [Unimod] -Label:13C(6)15N(2)+GlyGly (K) [Unimod] -ICPL:13C(6)2H(4) (N-term) [Unimod] -ICPL:13C(6)2H(4) (K) [Unimod] -ICPL:13C(6)2H(4) (N-term) [Unimod] -QQQTGG (K) [Unimod] -QEQTGG (K) [Unimod] -Bodipy (C) [Unimod]
--- a/maxquant_proteases.loc Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,27 +0,0 @@ -Trypsin -Arg-C -Asp-N -Asp-N_ambic -Chymotrypsin -CNBr -CNBr+Trypsin -Formic_acid -Lys-C -Lys-C/P -PepsinA -Tryp-CNBr -TrypChymo -Trypsin/P -Trypsin/P+DP -V8-DE -V8-E -semiTrypsin -LysC+AspN -Lys-C/P+DP -Trypsin/P + Asp-N -Asp-C -Trypsin/P+Asp-C -SemiLys -SemiGluC -LysC/P+AspC -GluC
--- a/maxquant_proteases.loc.sample Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,27 +0,0 @@ -Trypsin -Arg-C -Asp-N -Asp-N_ambic -Chymotrypsin -CNBr -CNBr+Trypsin -Formic_acid -Lys-C -Lys-C/P -PepsinA -Tryp-CNBr -TrypChymo -Trypsin/P -Trypsin/P+DP -V8-DE -V8-E -semiTrypsin -LysC+AspN -Lys-C/P+DP -Trypsin/P + Asp-N -Asp-C -Trypsin/P+Asp-C -SemiLys -SemiGluC -LysC/P+AspC -GluC
--- a/maxquant_wrapper.py Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,787 +0,0 @@ -#!/usr/bin/env python -import optparse -import os -import shutil -import sys -import tempfile -import subprocess -import logging -from string import Template -from xml.sax.saxutils import escape -import xml.etree.ElementTree as ET - -log = logging.getLogger(__name__) - -DEBUG = True - -working_directory = os.getcwd() -tmp_stderr_name = tempfile.NamedTemporaryFile(dir=working_directory, suffix='.stderr').name -tmp_stdout_name = tempfile.NamedTemporaryFile(dir=working_directory, suffix='.stdout').name - - -def stop_err(msg): - sys.stderr.write("%s\n" % msg) - sys.exit() - - -def read_stderr(): - stderr = '' - if(os.path.exists(tmp_stderr_name)): - with open(tmp_stderr_name, 'rb') as tmp_stderr: - buffsize = 1048576 - try: - while True: - stderr += tmp_stderr.read(buffsize) - if not stderr or len(stderr) % buffsize != 0: - break - except OverflowError: - pass - return stderr - - -def execute(command, stdin=None): - try: - with open(tmp_stderr_name, 'wb') as tmp_stderr: - with open(tmp_stdout_name, 'wb') as tmp_stdout: - proc = subprocess.Popen(args=command, shell=True, stderr=tmp_stderr.fileno(), stdout=tmp_stdout.fileno(), stdin=stdin, env=os.environ) - returncode = proc.wait() - if returncode != 0: - raise Exception("Program returned with non-zero exit code %d. stderr: %s" % (returncode, read_stderr())) - finally: - print open(tmp_stderr_name, "r").read(64000) - print open(tmp_stdout_name, "r").read(64000) - - -def delete_file(path): - if os.path.exists(path): - try: - os.remove(path) - except: - pass - - -def delete_directory(directory): - if os.path.exists(directory): - try: - shutil.rmtree(directory) - except: - pass - - -def symlink(source, link_name): - import platform - if platform.system() == 'Windows': - try: - import win32file - win32file.CreateSymbolicLink(source, link_name, 1) - except: - shutil.copy(source, link_name) - else: - os.symlink(source, link_name) - - -def copy_to_working_directory(data_file, relative_path): - if os.path.abspath(data_file) != os.path.abspath(relative_path): - shutil.copy(data_file, relative_path) - return relative_path - - -def __main__(): - run_script() - - -## Lock File Stuff -## http://www.evanfosmark.com/2009/01/cross-platform-file-locking-support-in-python/ -import os -import time -import errno - - -class FileLockException(Exception): - pass - - -class FileLock(object): - """ A file locking mechanism that has context-manager support so - you can use it in a with statement. This should be relatively cross - compatible as it doesn't rely on msvcrt or fcntl for the locking. - """ - - def __init__(self, file_name, timeout=10, delay=.05): - """ Prepare the file locker. Specify the file to lock and optionally - the maximum timeout and the delay between each attempt to lock. - """ - self.is_locked = False - self.lockfile = os.path.join(os.getcwd(), "%s.lock" % file_name) - self.file_name = file_name - self.timeout = timeout - self.delay = delay - - def acquire(self): - """ Acquire the lock, if possible. If the lock is in use, it check again - every `wait` seconds. It does this until it either gets the lock or - exceeds `timeout` number of seconds, in which case it throws - an exception. - """ - start_time = time.time() - while True: - try: - self.fd = os.open(self.lockfile, os.O_CREAT | os.O_EXCL | os.O_RDWR) - break - except OSError as e: - if e.errno != errno.EEXIST: - raise - if (time.time() - start_time) >= self.timeout: - raise FileLockException("Timeout occured.") - time.sleep(self.delay) - self.is_locked = True - - def release(self): - """ Get rid of the lock by deleting the lockfile. - When working in a `with` statement, this gets automatically - called at the end. - """ - if self.is_locked: - os.close(self.fd) - os.unlink(self.lockfile) - self.is_locked = False - - def __enter__(self): - """ Activated when used in the with statement. - Should automatically acquire a lock to be used in the with block. - """ - if not self.is_locked: - self.acquire() - return self - - def __exit__(self, type, value, traceback): - """ Activated at the end of the with statement. - It automatically releases the lock if it isn't locked. - """ - if self.is_locked: - self.release() - - def __del__(self): - """ Make sure that the FileLock instance doesn't leave a lockfile - lying around. - """ - self.release() - -TEMPLATE = """<?xml version="1.0" encoding="utf-8"?> -<MaxQuantParams xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" runOnCluster="false" processFolder="$process_folder"> - $raw_file_info - <experimentalDesignFilename/> - <slicePeaks>$slice_peaks</slicePeaks> - <tempFolder/> - <ncores>$num_cores</ncores> - <ionCountIntensities>false</ionCountIntensities> - <maxFeatureDetectionCores>1</maxFeatureDetectionCores> - <verboseColumnHeaders>false</verboseColumnHeaders> - <minTime>NaN</minTime> - <maxTime>NaN</maxTime> - <calcPeakProperties>$calc_peak_properties</calcPeakProperties> - <useOriginalPrecursorMz>$use_original_precursor_mz</useOriginalPrecursorMz> - $fixed_mods - <multiModificationSearch>$multi_modification_search</multiModificationSearch> - <fastaFiles>$database</fastaFiles> - <fastaFilesFirstSearch/> - <fixedSearchFolder/> - <advancedRatios>$advanced_ratios</advancedRatios> - <rtShift>$rt_shift</rtShift> - <fastLfq>$fast_lfq</fastLfq> - <randomize>$randomize</randomize> - <specialAas>$special_aas</specialAas> - <includeContamiants>$include_contamiants</includeContamiants> - <equalIl>$equal_il</equalIl> - <topxWindow>100</topxWindow> - <maxPeptideMass>$max_peptide_mass</maxPeptideMass> - <reporterPif>$reporter_pif</reporterPif> - <reporterFraction>$reporter_fraction</reporterFraction> - <reporterBasePeakRatio>$reporter_base_peak_ratio</reporterBasePeakRatio> - <scoreThreshold>$score_threshold</scoreThreshold> - <filterAacounts>$filter_aacounts</filterAacounts> - <secondPeptide>$second_peptide</secondPeptide> - <matchBetweenRuns>$match_between_runs</matchBetweenRuns> - <matchBetweenRunsFdr>$match_between_runs_fdr</matchBetweenRunsFdr> - <reQuantify>$re_quantify</reQuantify> - <dependentPeptides>$dependent_peptides</dependentPeptides> - <dependentPeptideFdr>$dependent_peptide_fdr</dependentPeptideFdr> - <dependentPeptideMassBin>$dependent_peptide_mass_bin</dependentPeptideMassBin> - <labelFree>$label_free</labelFree> - <lfqMinEdgesPerNode>$lfq_min_edges_per_node</lfqMinEdgesPerNode> - <lfqAvEdgesPerNode>$lfq_av_edges_per_node</lfqAvEdgesPerNode> - <hybridQuantification>$hybrid_quantification</hybridQuantification> - <msmsConnection>$msms_connection</msmsConnection> - <ibaq>$ibaq</ibaq> - <msmsRecalibration>$msms_recalibration</msmsRecalibration> - <ibaqLogFit>$ibaq_log_fit</ibaqLogFit> - <razorProteinFdr>$razor_protein_fdr</razorProteinFdr> - <calcSequenceTags>$calc_sequence_tags</calcSequenceTags> - <deNovoVarMods>$de_novo_var_mods</deNovoVarMods> - <massDifferenceSearch>$mass_difference_search</massDifferenceSearch> - <minPepLen>$min_pep_len</minPepLen> - <peptideFdr>$peptide_fdr</peptideFdr> - <peptidePep>$peptide_pep</peptidePep> - <proteinFdr>$protein_fdr</proteinFdr> - <siteFdr>$site_fdr</siteFdr> - <minPeptideLengthForUnspecificSearch>$min_peptide_length_for_unspecific_search</minPeptideLengthForUnspecificSearch> - <maxPeptideLengthForUnspecificSearch>$max_peptide_length_for_unspecific_search</maxPeptideLengthForUnspecificSearch> - <useNormRatiosForOccupancy>$use_norm_ratios_for_occupancy</useNormRatiosForOccupancy> - <minPeptides>$min_peptides</minPeptides> - <minRazorPeptides>$min_razor_peptides</minRazorPeptides> - <minUniquePeptides>$min_unique_peptides</minUniquePeptides> - <useCounterparts>$use_counterparts</useCounterparts> - <minRatioCount>$min_ratio_count</minRatioCount> - <lfqMinRatioCount>$lfq_min_ratio_count</lfqMinRatioCount> - <restrictProteinQuantification>$restrict_protein_quantification</restrictProteinQuantification> - $restrict_mods - <matchingTimeWindow>$matching_time_window</matchingTimeWindow> - <numberOfCandidatesMultiplexedMsms>$number_of_candidates_multiplexed_msms</numberOfCandidatesMultiplexedMsms> - <numberOfCandidatesMsms>$number_of_candidates_msms</numberOfCandidatesMsms> - <separateAasForSiteFdr>$separate_aas_for_site_fdr</separateAasForSiteFdr> - <massDifferenceMods /> - <aifParams aifSilWeight="$aif_sil_weight" - aifIsoWeight="$aif_iso_weight" - aifTopx="$aif_topx" - aifCorrelation="$aif_correlation" - aifCorrelationFirstPass="$aif_correlation_first_pass" - aifMinMass="$aif_min_mass" - aifMsmsTol="$aif_msms_tol" - aifSecondPass="$aif_second_pass" - aifIterative="$aif_iterative" - aifThresholdFdr="$aif_threhold_fdr" /> - <groups> - <ParameterGroups> - $group_params - </ParameterGroups> - </groups> - <qcSettings> - <qcSetting xsi:nil="true" /> - </qcSettings> - <msmsParams> - $ftms_fragment_settings - $itms_fragment_settings - $tof_fragment_settings - $unknown_fragment_settings - </msmsParams> - <keepLowScoresMode>$keep_low_scores_mode</keepLowScoresMode> - <msmsCentroidMode>$msms_centroid_mode</msmsCentroidMode> - <quantMode>$quant_mode</quantMode> - <siteQuantMode>$site_quant_mode</siteQuantMode> - <groupParams> - <groupParam> - $group_params - </groupParam> - </groupParams> -</MaxQuantParams> -""" - -GROUP_TEMPLATE = """ - <maxCharge>$max_charge</maxCharge> - <lcmsRunType>$lcms_run_type</lcmsRunType> - <msInstrument>$ms_instrument</msInstrument> - <groupIndex>$group_index</groupIndex> - <maxLabeledAa>$max_labeled_aa</maxLabeledAa> - <maxNmods>$max_n_mods</maxNmods> - <maxMissedCleavages>$max_missed_cleavages</maxMissedCleavages> - <multiplicity>$multiplicity</multiplicity> - <protease>$protease</protease> - <proteaseFirstSearch>$protease</proteaseFirstSearch> - <useProteaseFirstSearch>false</useProteaseFirstSearch> - <useVariableModificationsFirstSearch>false</useVariableModificationsFirstSearch> - $variable_mods - $isobaric_labels - <variableModificationsFirstSearch> - <string>Oxidation (M)</string> - <string>Acetyl (Protein N-term)</string> - </variableModificationsFirstSearch> - <hasAdditionalVariableModifications>false</hasAdditionalVariableModifications> - <additionalVariableModifications> - <ArrayOfString /> - </additionalVariableModifications> - <additionalVariableModificationProteins> - <ArrayOfString /> - </additionalVariableModificationProteins> - <doMassFiltering>$do_mass_filtering</doMassFiltering> - <firstSearchTol>$first_search_tol</firstSearchTol> - <mainSearchTol>$main_search_tol</mainSearchTol> - $labels -""" - -# <labels> -# <string /> -# <string>Arg10; Lys8</string> -# </labels> - -fragment_settings = { - "FTMS": {"InPpm": "true", "Deisotope": "true", "Topx": "10", "HigherCharges": "true", - "IncludeWater": "true", "IncludeAmmonia": "true", "DependentLosses": "true", - "tolerance_value": "20", "tolerance_unit": "Ppm", "name": "FTMS"}, - "ITMS": {"InPpm": "false", "Deisotope": "false", "Topx": "6", "HigherCharges": "true", - "IncludeWater": "true", "IncludeAmmonia": "true", "DependentLosses": "true", - "tolerance_value": "0.5", "tolerance_unit": "Dalton", "name": "ITMS"}, - "TOF": {"InPpm": "false", "Deisotope": "true", "Topx": "10", "HigherCharges": "true", - "IncludeWater": "true", "IncludeAmmonia": "true", "DependentLosses": "true", - "tolerance_value": "0.1", "tolerance_unit": "Dalton", "name": "TOF"}, - "Unknown": {"InPpm": "false", "Deisotope": "false", "Topx": "6", "HigherCharges": "true", - "IncludeWater": "true", "IncludeAmmonia": "true", "DependentLosses": "true", - "tolerance_value": "0.5", "tolerance_unit": "Dalton", "name": "Unknown"}, -} - - -def build_isobaric_labels(reporter_type): - if not reporter_type: - return "<isobaricLabels />" - if reporter_type == "itraq_4plex": - prefix = "iTRAQ4plex" - mzs = [114, 115, 116, 117] - elif reporter_type == "itraq_8plex": - prefix = "iTRAQ8plex" - mzs = [113, 114, 115, 116, 117, 118, 119, 121] - elif reporter_type == "tmt_2plex": - prefix = "TMT2plex" - mzs = [126, 127] - elif reporter_type == "tmt_6plex": - prefix = "TMT6plex" - mzs = [126, 127, 128, 129, 130, 131] - else: - raise Exception("Unknown reporter type - %s" % reporter_type) - labels = ["%s-%s%d" % (prefix, term, mz) for term in ["Nter", "Lys"] for mz in mzs] - return wrap(map(xml_string, labels), "isobaricLabels") - - -def parse_groups(inputs_file, group_parts=["num"], input_parts=["name", "path"]): - inputs_lines = [line.strip() for line in open(inputs_file, "r").readlines()] - inputs_lines = [line for line in inputs_lines if line and not line.startswith("#")] - cur_group = None - i = 0 - group_prefixes = ["%s:" % group_part for group_part in group_parts] - input_prefixes = ["%s:" % input_part for input_part in input_parts] - groups = {} - while i < len(inputs_lines): - line = inputs_lines[i] - if line.startswith(group_prefixes[0]): - # Start new group - cur_group = line[len(group_prefixes[0]):] - group_data = {} - for j, group_prefix in enumerate(group_prefixes): - group_line = inputs_lines[i + j] - group_data[group_parts[j]] = group_line[len(group_prefix):] - i += len(group_prefixes) - elif line.startswith(input_prefixes[0]): - input = [] - for j, input_prefix in enumerate(input_prefixes): - part_line = inputs_lines[i + j] - part = part_line[len(input_prefixes[j]):] - input.append(part) - if cur_group not in groups: - groups[cur_group] = {"group_data": group_data, "inputs": []} - groups[cur_group]["inputs"].append(input) - i += len(input_prefixes) - else: - # Skip empty line - i += 1 - return groups - - -def add_fragment_options(parser): - for name, options in fragment_settings.iteritems(): - for key, value in options.iteritems(): - option_key = ("%s_%s" % (name, key)).lower() - parser.add_option("--%s" % option_key, default=value) - - -def update_fragment_settings(arg_options): - for name, options in fragment_settings.iteritems(): - for key, value in options.iteritems(): - arg_option_key = ("%s_%s" % (name, key)).lower() - options[key] = getattr(arg_options, arg_option_key) - - -def to_fragment_settings(name, values): - """ - """ - - fragment_settings_template = """ - <FragmentSpectrumSettings Name="$name" InPpm="$InPpm" Deisotope="$Deisotope" - Topx="$Topx" HigherCharges="$HigherCharges" IncludeWater="$IncludeWater" IncludeAmmonia="$IncludeAmmonia" - DependentLosses="$DependentLosses"> - <Tolerance> - <Value>$tolerance_value</Value> - <Unit>$tolerance_unit</Unit> - </Tolerance> - </FragmentSpectrumSettings> - """ - safe_values = dict(values) - for key, value in safe_values.iteritems(): - safe_values[key] = escape(value) - return Template(fragment_settings_template).substitute(safe_values) - - -def get_file_paths(files): - return wrap([xml_string(name) for name in files], "filePaths") - - -def get_file_names(file_names): - return wrap([xml_string(name) for name in file_names], "fileNames") - - -def get_file_groups(file_groups): - return wrap([xml_int(file_group) for file_group in file_groups], "paramGroups") - - -def wrap(values, tag): - return "<%s>%s</%s>" % (tag, "".join(values), tag) - - -def xml_string(str): - if str: - return "<string>%s</string>" % escape(str) - else: - return "<string />" - - -def xml_int(value): - return "<int>%d</int>" % int(value) - - -def get_properties(options): - direct_properties = ["lcms_run_type", - "max_missed_cleavages", - "protease", - "first_search_tol", - "main_search_tol", - "max_n_mods", - "max_charge", - "max_labeled_aa", - "do_mass_filtering", - "calc_peak_properties", - "use_original_precursor_mz", - "multi_modification_search", - "keep_low_scores_mode", - "msms_centroid_mode", - "quant_mode", - "site_quant_mode", - "advanced_ratios", - "rt_shift", - "fast_lfq", - "randomize", - "aif_sil_weight", - "aif_iso_weight", - "aif_topx", - "aif_correlation", - "aif_correlation_first_pass", - "aif_min_mass", - "aif_msms_tol", - "aif_second_pass", - "aif_iterative", - "aif_threhold_fdr", - "restrict_protein_quantification", - "matching_time_window", - "number_of_candidates_multiplexed_msms", - "number_of_candidates_msms", - "separate_aas_for_site_fdr", - "special_aas", - "include_contamiants", - "equal_il", - "topx_window", - "max_peptide_mass", - "reporter_pif", - "reporter_fraction", - "reporter_base_peak_ratio", - "score_threshold", - "filter_aacounts", - "second_peptide", - "match_between_runs", - "match_between_runs_fdr", - "re_quantify", - "dependent_peptides", - "dependent_peptide_fdr", - "dependent_peptide_mass_bin", - "label_free", - "lfq_min_edges_per_node", - "lfq_av_edges_per_node", - "hybrid_quantification", - "msms_connection", - "ibaq", - "msms_recalibration", - "ibaq_log_fit", - "razor_protein_fdr", - "calc_sequence_tags", - "de_novo_var_mods", - "mass_difference_search", - "min_pep_len", - "peptide_fdr", - "peptide_pep", - "protein_fdr", - "site_fdr", - "min_peptide_length_for_unspecific_search", - "max_peptide_length_for_unspecific_search", - "use_norm_ratios_for_occupancy", - "min_peptides", - "min_razor_peptides", - "min_unique_peptides", - "use_counterparts", - "min_ratio_count", - "lfq_min_ratio_count", - ] - - props = { - "slice_peaks": "true", - "num_cores": str(options.num_cores), - "database": xml_string(setup_database(options)), - "process_folder": os.path.join(os.getcwd(), "process"), - } - for prop in direct_properties: - props[prop] = str(getattr(options, prop)) - - for name, fragment_options in fragment_settings.iteritems(): - key = "%s_fragment_settings" % name.lower() - props[key] = to_fragment_settings(name, fragment_options) - - restrict_mods_string = wrap(map(xml_string, options.restrict_mods), "restrictMods") - props["restrict_mods"] = restrict_mods_string - fixed_mods_string = wrap(map(xml_string, options.fixed_mods), "fixedModifications") - props["fixed_mods"] = fixed_mods_string - variable_mods_string = wrap(map(xml_string, options.variable_mods), "variableModifications") - props["variable_mods"] = variable_mods_string - return props - - -# http://stackoverflow.com/questions/377017/test-if-executable-exists-in-python -def which(program): - import os - - def is_exe(fpath): - return os.path.isfile(fpath) and os.access(fpath, os.X_OK) - - fpath, fname = os.path.split(program) - if fpath: - if is_exe(program): - return program - else: - for path in os.environ["PATH"].split(os.pathsep): - path = path.strip('"') - exe_file = os.path.join(path, program) - if is_exe(exe_file): - return exe_file - - return None - - -def get_unique_path(base, extension): - """ - """ - return "%s_%d%s" % (base, int(time.time() * 1000), extension) - - -def get_env_property(name, default): - if name in os.environ: - return os.environ[name] - else: - return default - - -def setup_database(options): - database_path = options.database - database_name = options.database_name - database_name = database_name.replace(" ", "_") - (database_basename, extension) = os.path.splitext(database_name) - database_destination = get_unique_path(database_basename, ".fasta") - assert database_destination == os.path.basename(database_destination) - symlink(database_path, database_destination) - - database_conf = get_env_property("MAXQUANT_DATABASE_CONF", None) - if not database_conf: - exe_path = which("MaxQuantCmd.exe") - database_conf = os.path.join(os.path.dirname(exe_path), "conf", "databases.xml") - with FileLock(database_conf + ".galaxy_lock"): - tree = ET.parse(database_conf) - root = tree.getroot() - databases_node = root.find("Databases") - database_node = ET.SubElement(databases_node, 'databases') - database_node.attrib["search_expression"] = ">([^ ]*)" - database_node.attrib["replacement_expression"] = "%1" - database_node.attrib["filename"] = database_destination - tree.write(database_conf) - return os.path.abspath(database_destination) - - -def setup_inputs(input_groups_path): - parsed_groups = parse_groups(input_groups_path) - paths = [] - names = [] - group_nums = [] - for group, group_info in parsed_groups.iteritems(): - files = group_info["inputs"] - group_num = group_info["group_data"]["num"] - for (name, path) in files: - name = os.path.basename(name) - if not name.lower().endswith(".raw"): - name = "%s.%s" % (name, ".RAW") - symlink(path, name) - paths.append(os.path.abspath(name)) - names.append(os.path.splitext(name)[0]) - group_nums.append(group_num) - file_data = (get_file_paths(paths), get_file_names(names), get_file_groups(group_nums)) - return "<rawFileInfo>%s%s%s<Fractions/><Values/></rawFileInfo> " % file_data - - -def set_group_params(properties, options): - labels = [""] - if options.labels: - labels = options.labels - labels_string = wrap([xml_string(label.replace(",", "; ")) for label in labels], "labels") - group_properties = dict(properties) - group_properties["labels"] = labels_string - group_properties["multiplicity"] = len(labels) - group_properties["group_index"] = "1" - group_properties["ms_instrument"] = "0" - group_params = Template(GROUP_TEMPLATE).substitute(group_properties) - properties["group_params"] = group_params - - -def split_mods(mods_string): - return [mod for mod in mods_string.split(",") if mod] if mods_string else [] - - -def run_script(): - parser = optparse.OptionParser() - parser.add_option("--input_groups") - parser.add_option("--database") - parser.add_option("--database_name") - parser.add_option("--num_cores", type="int", default=4) - parser.add_option("--max_missed_cleavages", type="int", default=2) - parser.add_option("--protease", default="Trypsin/P") - parser.add_option("--first_search_tol", default="20") - parser.add_option("--main_search_tol", default="6") - parser.add_option("--max_n_mods", type="int", default=5) - parser.add_option("--max_charge", type="int", default=7) - parser.add_option("--do_mass_filtering", default="true") - parser.add_option("--labels", action="append", default=[]) - parser.add_option("--max_labeled_aa", type="int", default=3) - parser.add_option("--keep_low_scores_mode", type="int", default=0) - parser.add_option("--msms_centroid_mode", type="int", default=1) - # 0 = all peptides, 1 = Use razor and unique peptides, 2 = use unique peptides - parser.add_option("--quant_mode", type="int", default=1) - parser.add_option("--site_quant_mode", type="int", default=0) - parser.add_option("--aif_sil_weight", type="int", default=4) - parser.add_option("--aif_iso_weight", type="int", default=2) - parser.add_option("--aif_topx", type="int", default=50) - parser.add_option("--aif_correlation", type="float", default=0.8) - parser.add_option("--aif_correlation_first_pass", type="float", default=0.8) - parser.add_option("--aif_min_mass", type="float", default=0) - parser.add_option("--aif_msms_tol", type="float", default=10) - parser.add_option("--aif_second_pass", default="false") - parser.add_option("--aif_iterative", default="false") - parser.add_option("--aif_threhold_fdr", default="0.01") - parser.add_option("--restrict_protein_quantification", default="true") - parser.add_option("--matching_time_window", default="2") - parser.add_option("--number_of_candidates_multiplexed_msms", default="50") - parser.add_option("--number_of_candidates_msms", default="15") - parser.add_option("--separate_aas_for_site_fdr", default="true") - parser.add_option("--advanced_ratios", default="false") - parser.add_option("--rt_shift", default="false") - parser.add_option("--fast_lfq", default="true") - parser.add_option("--randomize", default="false") - parser.add_option("--special_aas", default="KR") - parser.add_option("--include_contamiants", default="false") - parser.add_option("--equal_il", default="false") - parser.add_option("--topx_window", default="100") - parser.add_option("--max_peptide_mass", default="5000") - parser.add_option("--reporter_pif", default="0.75") - parser.add_option("--reporter_fraction", default="0") - parser.add_option("--reporter_base_peak_ratio", default="0") - parser.add_option("--score_threshold", default="0") - parser.add_option("--filter_aacounts", default="true") - parser.add_option("--second_peptide", default="true") - parser.add_option("--match_between_runs", default="false") - parser.add_option("--match_between_runs_fdr", default="false") - parser.add_option("--re_quantify", default="true") - parser.add_option("--dependent_peptides", default="false") - parser.add_option("--dependent_peptide_fdr", default="0.01") - parser.add_option("--dependent_peptide_mass_bin", default="0.0055") - parser.add_option("--label_free", default="false") - parser.add_option("--lfq_min_edges_per_node", default="3") - parser.add_option("--lfq_av_edges_per_node", default="6") - parser.add_option("--hybrid_quantification", default="false") - parser.add_option("--msms_connection", default="false") - parser.add_option("--ibaq", default="false") - parser.add_option("--msms_recalibration", default="false") - parser.add_option("--ibaq_log_fit", default="true") - parser.add_option("--razor_protein_fdr", default="true") - parser.add_option("--calc_sequence_tags", default="false") - parser.add_option("--de_novo_var_mods", default="true") - parser.add_option("--mass_difference_search", default="false") - parser.add_option("--min_pep_len", default="7") - parser.add_option("--peptide_fdr", default="0.01") - parser.add_option("--peptide_pep", default="1") - parser.add_option("--protein_fdr", default="0.01") - parser.add_option("--site_fdr", default="0.01") - parser.add_option("--min_peptide_length_for_unspecific_search", default="8") - parser.add_option("--max_peptide_length_for_unspecific_search", default="25") - parser.add_option("--use_norm_ratios_for_occupancy", default="true") - parser.add_option("--min_peptides", default="1") - parser.add_option("--min_razor_peptides", default="1") - parser.add_option("--min_unique_peptides", default="0") - parser.add_option("--use_counterparts", default="false") - parser.add_option("--min_ratio_count", default="2") - parser.add_option("--lfq_min_ratio_count", default="2") - parser.add_option("--calc_peak_properties", default="false") - parser.add_option("--use_original_precursor_mz", default="false") - parser.add_option("--multi_modification_search", default="false") - parser.add_option("--lcms_run_type", default="0") - parser.add_option("--reporter_type", default=None) - parser.add_option("--output_mqpar", default=None) - text_outputs = { - "aif_msms": "aifMsms", - "all_peptides": "allPeptides", - "evidence": "evidence", - "modification_specific_peptides": "modificationSpecificPeptides", - "msms": "msms", - "msms_scans": "msmsScans", - "mz_range": "mzRange", - "parameters": "parameters", - "peptides": "peptides", - "protein_groups": "proteinGroups", - "sim_peptides": "simPeptides", - "sim_scans": "simScans", - "summary": "summary" - } - for output in text_outputs.keys(): - parser.add_option("--output_%s" % output, default=None) - - parser.add_option("--variable_mods", default="Oxidation (M),Acetyl (Protein N-term)") - parser.add_option("--restrict_mods", default="Oxidation (M),Acetyl (Protein N-term)") - parser.add_option("--fixed_mods", default="Carbamidomethyl (C)") - - add_fragment_options(parser) - - (options, args) = parser.parse_args() - options.restrict_mods = split_mods(options.restrict_mods) - options.fixed_mods = split_mods(options.fixed_mods) - options.variable_mods = split_mods(options.variable_mods) - - update_fragment_settings(options) - - raw_file_info = setup_inputs(options.input_groups) - properties = get_properties(options) - properties["raw_file_info"] = raw_file_info - properties["isobaric_labels"] = build_isobaric_labels(options.reporter_type) - set_group_params(properties, options) - driver_contents = Template(TEMPLATE).substitute(properties) - open("mqpar.xml", "w").write(driver_contents) - print driver_contents - execute("MaxQuantCmd.exe mqpar.xml %d" % options.num_cores) - for key, basename in text_outputs.iteritems(): - attribute = "output_%s" % key - destination = getattr(options, attribute, None) - if destination: - source = os.path.join("combined", "txt", "%s.txt" % basename) - shutil.copy(source, destination) - output_mqpar = options.output_mqpar - if output_mqpar: - shutil.copy("mqpar.xml", output_mqpar) - -if __name__ == '__main__': - __main__()
--- a/modifications.xml Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,2580 +0,0 @@ -<?xml version="1.0" encoding="utf-8"?> -<modifications xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema"> - <modification index="0" title="Acetyl (K)" description="Acetylation" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="C(2) H(2) O" create_date="2010-01-19T13:25:24.82357+01:00" last_modified_date="2010-01-19T14:15:40.2445414+01:00" user="neuhause" multi_modification="false"> - <position>notCterm</position> - <modification_site index="0" site="K"> - <diagnostic_collection> - <diagnostic name="acK*" shortname="acK*" composition="C(7) H(11) O N" /> - <diagnostic name="acK" shortname="acK" composition="C(7) H(14) O N(2)" /> - </diagnostic_collection> - </modification_site> - <type>standard</type> - </modification> - <modification index="1" title="Acetyl (Protein N-term)" description="Acetylation" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="C(2) H(2) O" create_date="2010-01-19T14:27:34.5843488+01:00" last_modified_date="2010-01-19T14:28:09.7383488+01:00" user="neuhause" multi_modification="false"> - <position>proteinNterm</position> - <modification_site index="0" site="-" /> - <type>standard</type> - </modification> - <modification index="2" title="Carbamidomethyl (C)" description="Iodoacetamide derivative" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="C(2) H(3) N O" create_date="2010-01-19T15:54:02.1976309+01:00" last_modified_date="2010-01-19T15:55:13.1353165+01:00" user="neuhause" multi_modification="false"> - <position>anywhere</position> - <modification_site index="0" site="C" /> - <type>standard</type> - </modification> - <modification index="3" title="Oxidation (M)" description="Oxidation" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O " create_date="2010-01-19T14:29:05.2191728+01:00" last_modified_date="2010-01-19T20:38:21.9609829+01:00" user="neuhause" multi_modification="false"> - <position>anywhere</position> - <modification_site index="0" site="M" /> - <type>standard</type> - </modification> - <modification index="4" title="Phospho (STY)" description="Phosphorylation" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="H O(3) P" create_date="2010-01-19T14:34:50.0721008+01:00" last_modified_date="2010-01-19T20:39:28.1471599+01:00" user="neuhause" multi_modification="false"> - <position>anywhere</position> - <modification_site index="0" site="S"> - <neutralloss_collection> - <neutralloss name="H(3) O(4) P" shortname="H3 O4 P" composition="H(3) O(4) P" /> - </neutralloss_collection> - </modification_site> - <modification_site index="1" site="T"> - <neutralloss_collection> - <neutralloss name="H(3) O(4) P" shortname="H3 O4 P" composition="H(3) O(4) P" /> - </neutralloss_collection> - </modification_site> - <modification_site index="2" site="Y"> - <diagnostic_collection> - <diagnostic name="C(8) H(10) O(4) N P" shortname="pY" composition="C(8) H(10) O(4) N P" /> - </diagnostic_collection> - </modification_site> - <type>standard</type> - </modification> - <modification index="5" title="Arg6" description="Arginine-13C6 (R-13C6)" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="Cx(6) C(-6)" create_date="2010-01-19T14:37:21.2757206+01:00" last_modified_date="2010-01-23T19:17:45.328125+01:00" user="cox" multi_modification="false"> - <position>anywhere</position> - <modification_site index="0" site="R" /> - <type>label</type> - </modification> - <modification index="6" title="Arg10" description="Arginine-13C615N4 (R-full)" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="Cx(6) Nx(4) C(-6) N(-4)" create_date="2010-01-19T14:38:45.7906712+01:00" last_modified_date="2010-01-23T19:20:04+01:00" user="cox" multi_modification="false"> - <position>anywhere</position> - <modification_site index="0" site="R" /> - <type>label</type> - </modification> - <modification index="7" title="Lys4" description="Lysine (D4)" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="Hx(4) H(-4)" create_date="2010-01-19T14:39:50.1480962+01:00" last_modified_date="2010-01-23T19:22:08.375+01:00" user="cox" multi_modification="false"> - 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<position>anywhere</position> - <modification_site index="0" site="R" /> - <type>standard</type> - </modification> - <modification index="116" title="Arg->Lys" description="Arg->Lys substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="N(-2)" create_date="2012-02-07T16:16:24.9367022+01:00" last_modified_date="2012-02-07T16:27:11.3329894+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="R" /> - <type>standard</type> - </modification> - <modification index="117" title="Arg->Met" description="Arg->Met substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="H(-3) C(-1) N(-3) S" create_date="2012-02-07T16:16:29.5387612+01:00" last_modified_date="2012-02-07T16:29:11.8445344+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="R" /> - 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<type>standard</type> - </modification> - <modification index="198" title="Glu->Ala" description="Glu->Ala substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-2) H(-2) C(-2)" create_date="2012-02-09T10:20:55.5809222+01:00" last_modified_date="2012-02-09T10:22:52.5527214+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="E" /> - <type>standard</type> - </modification> - <modification index="199" title="Glu->Arg" description="Glu->Arg substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-2) H(5) C N(3)" create_date="2012-02-09T10:24:00.3676602+01:00" last_modified_date="2012-02-09T10:26:21.1456698+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="E" /> - <type>standard</type> - </modification> - <modification index="200" title="Glu->Asn" description="Glu->Asn substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-1) H(-1) C(-1) N" create_date="2012-02-09T10:24:03.5657422+01:00" last_modified_date="2012-02-09T11:49:29.5813574+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="E" /> - <type>standard</type> - </modification> - <modification index="201" title="Glu->Asp" description="Glu->Asp substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="H(-2) C(-1)" create_date="2012-02-09T10:24:07.0602318+01:00" last_modified_date="2012-02-09T11:50:21.5874232+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="E" /> - <type>standard</type> - </modification> - <modification index="202" title="Glu->Cys" description="Glu->Cys substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-2) H(-2) C(-2) S" create_date="2012-02-09T10:24:10.2895146+01:00" last_modified_date="2012-02-09T12:12:00.696375+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="E" /> - <type>standard</type> - </modification> - <modification index="203" title="Glu->Gln" description="Glu->Gln substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-1) H N" create_date="2012-02-09T10:24:13.3627934+01:00" last_modified_date="2012-02-09T12:13:01.7184894+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="E" /> - <type>standard</type> - </modification> - <modification index="204" title="Glu->Gly" description="Glu->Gly substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-2) H(-4) C(-3)" create_date="2012-02-09T10:24:17.0444878+01:00" last_modified_date="2012-02-09T12:13:48.0310297+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="E" /> - <type>standard</type> - </modification> - <modification index="205" title="Glu->His" description="Glu->His substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-2) C N(2)" create_date="2012-02-09T10:24:20.1489674+01:00" last_modified_date="2012-02-09T12:15:01.6724924+01:00" user="cox" multi_modification="true"> - 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<type>standard</type> - </modification> - <modification index="208" title="Glu->Phe" description="Glu->Phe substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-2) H(2) C(4)" create_date="2012-02-09T10:24:29.5560086+01:00" last_modified_date="2012-02-09T12:19:38.2374434+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="E" /> - <type>standard</type> - </modification> - <modification index="209" title="Glu->Pro" description="Glu->Pro substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-2)" create_date="2012-02-09T10:24:32.5980866+01:00" last_modified_date="2012-02-09T12:21:41.0556129+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="E" /> - <type>standard</type> - </modification> - <modification index="210" title="Glu->Ser" description="Glu->Ser substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-1) H(-2) C(-2)" create_date="2012-02-09T10:24:35.889771+01:00" last_modified_date="2012-02-09T12:22:34.7775357+01:00" user="cox" multi_modification="true"> - 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</modification> - <modification index="328" title="Ser->Cys" description="Ser->Cys substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-1) S" create_date="2012-02-11T20:13:45.0719769+01:00" last_modified_date="2012-02-11T20:22:32.797704+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="S" /> - <type>standard</type> - </modification> - <modification index="329" title="Ser->Gln" description="Ser->Gln substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="H(3) C(2) N" create_date="2012-02-11T20:13:48.519583+01:00" last_modified_date="2012-02-11T20:23:33.4194105+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="S" /> - <type>standard</type> - </modification> - <modification index="330" title="Ser->Glu" description="Ser->Glu substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O H(2) C(2)" create_date="2012-02-11T20:13:51.7331886+01:00" last_modified_date="2012-02-11T20:24:40.0627275+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="S" /> - <type>standard</type> - </modification> - <modification index="331" title="Ser->Gly" description="Ser->Gly substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-1) H(-2) C(-1)" create_date="2012-02-11T20:13:55.2119947+01:00" last_modified_date="2012-02-11T20:25:29.2908137+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="S" /> - <type>standard</type> - </modification> - <modification index="332" title="Ser->His" description="Ser->His substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-1) H(2) C(3) N(2)" create_date="2012-02-11T20:13:59.3928021+01:00" last_modified_date="2012-02-11T20:26:32.8921254+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="S" /> - 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<type>standard</type> - </modification> - <modification index="358" title="Thr->Val" description="Thr->Val substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-1) H(2) C" create_date="2012-02-11T20:46:51.4450663+01:00" last_modified_date="2012-02-11T21:24:36.1358446+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="T" /> - <type>standard</type> - </modification> - <modification index="359" title="Thr->Xle" description="Thr->Leu/Ile substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="O(-1) H(4) C(2)" create_date="2012-02-11T20:46:55.9846743+01:00" last_modified_date="2012-02-11T21:25:40.8135582+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="T" /> - <type>standard</type> - </modification> - <modification index="360" title="Trp->Ala" description="Trp->Ala substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="H(-5) C(-8) N(-1)" create_date="2012-02-11T21:26:52.4368846+01:00" last_modified_date="2012-02-11T21:28:04.6494114+01:00" user="cox" multi_modification="true"> - 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<type>standard</type> - </modification> - <modification index="463" title="Thr->CamCys" description="Thr->CamCys substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="S H C N" create_date="2012-02-12T13:02:38.5970351+01:00" last_modified_date="2012-02-12T14:27:34.2241876+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="T" /> - <type>standard</type> - </modification> - <modification index="464" title="Trp->CamCys" description="Trp->CamCys substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="H(-2) C(-6) S O" create_date="2012-02-12T13:02:44.7434459+01:00" last_modified_date="2012-02-12T14:27:57.3434282+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="W" /> - <type>standard</type> - </modification> - <modification index="465" title="Tyr->CamCys" description="Tyr->CamCys substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="C(-4) H(-1) S N" create_date="2012-02-12T13:02:53.7134616+01:00" last_modified_date="2012-02-12T14:28:23.6450744+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="Y" /> - <type>standard</type> - </modification> - <modification index="466" title="Val->CamCys" description="Val->CamCys substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="H(-1) S N O" create_date="2012-02-12T13:02:58.2686696+01:00" last_modified_date="2012-02-12T14:28:51.5067234+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="V" /> - <type>standard</type> - </modification> - <modification index="467" title="Xle->CamCys" description="Leu/Ile->CamCys substitution" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="C(-1) H(-3) S N O" create_date="2012-02-12T13:03:06.2714837+01:00" last_modified_date="2012-02-12T14:29:18.5727709+01:00" user="cox" multi_modification="true"> - <position>anywhere</position> - <modification_site index="0" site="I" /> - <modification_site index="1" site="L" /> - <type>standard</type> - </modification> - <modification index="468" title="Leu7" description="Leucine-13C6 15N1" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="C(-6) Cx(6) N(-1) Nx" create_date="2012-03-14T11:27:13.8771423+01:00" last_modified_date="2012-03-14T11:30:52.8703269+01:00" user="cox" multi_modification="false"> - <position>anywhere</position> - <modification_site index="0" site="L" /> - <type>label</type> - </modification> - <modification index="469" title="Ile7" description="Isoleucine-13C6 15N1" reporterCorrectionM2="0" reporterCorrectionM1="0" reporterCorrectionP1="0" reporterCorrectionP2="0" composition="C(-6) Cx(6) N(-1) Nx" create_date="2012-06-11T21:21:24.4946343+02:00" last_modified_date="2012-06-11T21:21:24.4946343+02:00" user="cox" multi_modification="false"> - <position>anywhere</position> - <modification_site index="0" site="I" /> - <type>label</type> - </modification> -</modifications> \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/mqparam.py Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,349 @@ +""" +Create a project-specific MaxQuant parameter file. + +TODO: check validity of parsed experimental design template + add support for parameter groups + add reporter ion MS2 + add label free quantification + don't hardcode parse rules for fasta files + +Author: Damian Glaetzer <d.glaetzer@mailbox.org> +""" + +import ntpath +import os +import re +import xml.etree.ElementTree as ET +from itertools import zip_longest +from xml.dom import minidom + + +class MQParam: + """Represents a mqpar.xml and provides methods to modify + some of its parameters. + """ + + fasta_template = """<FastaFileInfo> + <fastaFilePath></fastaFilePath> + <identifierParseRule></identifierParseRule> + <descriptionParseRule></descriptionParseRule> + <taxonomyParseRule></taxonomyParseRule> + <variationParseRule></variationParseRule> + <modificationParseRule></modificationParseRule> + <taxonomyId></taxonomyId> + </FastaFileInfo>""" + + def __init__(self, mqpar_out, mqpar_in, exp_design, + substitution_rx=r'[^\s\S]'): # no sub by default + """Initialize MQParam class. mqpar_in can either be a template + or a already suitable mqpar file. + >>> t = MQParam("test", './test-data/template.xml', None) + >>> t.root.tag + 'MaxQuantParams' + >>> (t.root.find('maxQuantVersion')).text + '1.6.3.4' + """ + + self.orig_mqpar = mqpar_in + self.exp_design = exp_design + self.mqpar_out = mqpar_out + self.root = ET.parse(mqpar_in).getroot() + self.version = self.root.find('maxQuantVersion').text + # regex for substitution of certain file name characters + self.substitution_rx = substitution_rx + + @staticmethod + def _add_child(el, name, text, attrib=None): + """Add a child element to an element. + + >>> t = MQParam("test", './test-data/template.xml', None) + >>> MQParam._add_child(t.root, "test", "test") + >>> t.root.find('test').text == "test" + True + """ + + child = ET.SubElement(el, name, attrib=attrib if attrib else {}) + child.text = str(text) + + def _make_exp_design(self, infiles): + """Create a dict representing an experimental design from + an experimental design template and a list of input files. + If the experimental design template is None, create a default + design with one experiment for each input file, no fractions and + parameter group 0 for all files. + >>> t2 = MQParam("test", './test-data/template.xml', \ + './test-data/two/exp_design_template.txt') + >>> design = t2._make_exp_design(['./test-data/BSA_min_21.mzXML', \ + './test-data/BSA_min_22.mzXML']) + >>> design['Name'] + ['./test-data/BSA_min_21.mzXML', './test-data/BSA_min_22.mzXML'] + >>> design['Fraction'] + ['1', '2'] + """ + design = {s: [] for s in ("Name", "PTM", "Fraction", "Experiment")} + if not self.exp_design: + design["Name"] = infiles + design["Fraction"] = ('32767',) * len(infiles) + design["Experiment"] = [os.path.split(f)[1] for f in infiles] + design["PTM"] = ('False',) * len(infiles) + else: + with open(self.exp_design) as design_file: + index_line = design_file.readline().strip() + index = [] + for i in index_line.split('\t'): + if i in design: + index.append(i) + else: + raise Exception("Invalid comlumn index in experimental" + + " design template: {}".format(i)) + for line in design_file: + row = line.strip().split('\t') + for e, i in zip_longest(row, index): + design[i].append(e) + + # map infiles to names in exp. design template + names = [] + names_to_paths = {} + # strip path and extension + for f in infiles: + b = os.path.basename(f) + basename = b[:-6] if b.endswith('.mzXML') else b[:-11] + names_to_paths[basename] = f + for name in design['Name']: + # same substitution as in maxquant.xml, + # when passing the element identifiers + fname = re.sub(self.substitution_rx, '_', name) + names.append(names_to_paths[fname] if fname in names_to_paths + else None) + # replace orig. file names with matching links to galaxy datasets + design['Name'] = names + + return design + + def add_infiles(self, infiles, interactive): + """Add a list of raw/mzxml files to the mqpar.xml. + If experimental design template was specified, + modify other parameters accordingly. + The files must be specified as absolute paths + for maxquant to find them. + >>> t1 = MQParam("test", './test-data/template.xml', None) + >>> t1.add_infiles(('test1', ), True) + >>> t1.root.find("filePaths")[0].text + 'test1' + >>> t1.root.find("fractions")[0].text + '32767' + >>> len(t1.root.find("fractions")) + 1 + >>> t2 = MQParam("test", './test-data/template.xml', \ + './test-data/exp_design_test.txt') + >>> t2.add_infiles(('test-data/QEplus021874.thermo.raw', \ + 'test-data/QEplus021876.thermo.raw'), True) + >>> len(t2.root.find("filePaths")) + 2 + >>> t2.root.find("filePaths")[1].text + 'test-data/QEplus021876.thermo.raw' + >>> t2.root.find("experiments")[1].text + '2' + >>> t2.root.find("fractions")[0].text + '3' + """ + + # Create experimental design for interactive mode. + # In non-interactive mode only filepaths are modified, but + # their order from the original mqpar must be kept. + if interactive: + index = range(len(infiles)) + nodenames = ('filePaths', 'experiments', 'fractions', + 'ptms', 'paramGroupIndices', 'referenceChannel') + design = self._make_exp_design(infiles) + else: + index = [-1] * len(infiles) + # kind of a BUG: fails if filename starts with '.' + infilenames = [os.path.basename(f).split('.')[0] for f in infiles] + i = 0 + for child in self.root.find('filePaths'): + # either windows or posix path + win = ntpath.basename(child.text) + posix = os.path.basename(child.text) + basename = win if len(win) < len(posix) else posix + basename_with_sub = re.sub(self.substitution_rx, '_', + basename.split('.')[0]) + # match infiles to their names in mqpar.xml, + # ignore files missing in mqpar.xml + if basename_with_sub in infilenames: + index[i] = infilenames.index(basename_with_sub) + i += 1 + else: + raise ValueError("no matching infile found for " + + child.text) + + nodenames = ('filePaths', ) + design = {'Name': infiles} + + # Get parent nodes from document + nodes = dict() + for nodename in nodenames: + node = self.root.find(nodename) + if node is None: + raise ValueError('Element {} not found in parameter file' + .format(nodename)) + nodes[nodename] = node + node.clear() + node.tag = nodename + + # Append sub-elements to nodes (one per file) + for i in index: + if i > -1 and design['Name'][i]: + MQParam._add_child(nodes['filePaths'], 'string', + design['Name'][i]) + if interactive: + MQParam._add_child(nodes['experiments'], 'string', + design['Experiment'][i]) + MQParam._add_child(nodes['fractions'], 'short', + design['Fraction'][i]) + MQParam._add_child(nodes['ptms'], 'boolean', + design['PTM'][i]) + MQParam._add_child(nodes['paramGroupIndices'], 'int', 0) + MQParam._add_child(nodes['referenceChannel'], 'string', '') + + def add_fasta_files(self, files, + identifier=r'>([^\s]*)', + description=r'>(.*)'): + """Add fasta file groups. + >>> t = MQParam('test', './test-data/template.xml', None) + >>> t.add_fasta_files(('test1', 'test2')) + >>> len(t.root.find('fastaFiles')) + 2 + >>> t.root.find('fastaFiles')[0].find("fastaFilePath").text + 'test1' + """ + fasta_node = self.root.find("fastaFiles") + fasta_node.clear() + fasta_node.tag = "fastaFiles" + + for index in range(len(files)): + filepath = '<fastaFilePath>' + files[index] + fasta = self.fasta_template.replace('<fastaFilePath>', filepath) + fasta = fasta.replace('<identifierParseRule>', + '<identifierParseRule>' + identifier) + fasta = fasta.replace('<descriptionParseRule>', + '<descriptionParseRule>' + description) + ff_node = self.root.find('.fastaFiles') + fastaentry = ET.fromstring(fasta) + ff_node.append(fastaentry) + + def set_simple_param(self, key, value): + """Set a simple parameter. + >>> t = MQParam(None, './test-data/template.xml', None) + >>> t.set_simple_param('min_unique_pep', 4) + >>> t.root.find('.minUniquePeptides').text + '4' + """ + # map simple params to their node in the xml tree + simple_params = {'missed_cleavages': + '.parameterGroups/parameterGroup/maxMissedCleavages', + 'min_unique_pep': '.minUniquePeptides', + 'num_threads': 'numThreads', + 'calc_peak_properties': '.calcPeakProperties', + 'write_mztab': 'writeMzTab', + 'min_peptide_len': 'minPepLen', + 'max_peptide_mass': 'maxPeptideMass', + 'match_between_runs': 'matchBetweenRuns', + 'ibaq': 'ibaq', # lfq global options + 'ibaq_log_fit': 'ibaqLogFit', + 'separate_lfq': 'separateLfq', + 'lfq_stabilize_large_ratios': + 'lfqStabilizeLargeRatios', + 'lfq_require_msms': 'lfqRequireMsms', + 'advanced_site_intensities': + 'advancedSiteIntensities', + 'lfq_mode': # lfq param group options + '.parameterGroups/parameterGroup/lfqMode', + 'lfq_skip_norm': + '.parameterGroups/parameterGroup/lfqSkipNorm', + 'lfq_min_edges_per_node': + '.parameterGroups/parameterGroup/lfqMinEdgesPerNode', + 'lfq_avg_edges_per_node': + '.parameterGroups/parameterGroup/lfqAvEdgesPerNode', + 'lfq_min_ratio_count': + '.parameterGroups/parameterGroup/lfqMinRatioCount'} + + if key in simple_params: + node = self.root.find(simple_params[key]) + if node is None: + raise ValueError('Element {} not found in parameter file' + .format(simple_params[key])) + node.text = str(value) + else: + raise ValueError("Parameter not found.") + + def set_silac(self, light_mods, medium_mods, heavy_mods): + """Set label modifications. + >>> t1 = MQParam('test', './test-data/template.xml', None) + >>> t1.set_silac(None, ('test1', 'test2'), None) + >>> t1.root.find('.parameterGroups/parameterGroup/maxLabeledAa').text + '2' + >>> t1.root.find('.parameterGroups/parameterGroup/multiplicity').text + '3' + >>> t1.root.find('.parameterGroups/parameterGroup/labelMods')[1].text + 'test1;test2' + >>> t1.root.find('.parameterGroups/parameterGroup/labelMods')[2].text + '' + """ + multiplicity = 3 if medium_mods else 2 if heavy_mods else 1 + max_label = str(max(len(light_mods) if light_mods else 0, + len(medium_mods) if medium_mods else 0, + len(heavy_mods) if heavy_mods else 0)) + multiplicity_node = self.root.find('.parameterGroups/parameterGroup/' + + 'multiplicity') + multiplicity_node.text = str(multiplicity) + max_label_node = self.root.find('.parameterGroups/parameterGroup/' + + 'maxLabeledAa') + max_label_node.text = max_label + + node = self.root.find('.parameterGroups/parameterGroup/labelMods') + node[0].text = ';'.join(light_mods) if light_mods else '' + if multiplicity == 3: + MQParam._add_child(node, name='string', text=';'.join(medium_mods)) + if multiplicity > 1: + MQParam._add_child(node, name='string', + text=';'.join(heavy_mods) if heavy_mods else '') + + def set_list_params(self, key, vals): + """Set a list parameter. + >>> t = MQParam(None, './test-data/template.xml', None) + >>> t.set_list_params('proteases', ('test 1', 'test 2')) + >>> len(t.root.find('.parameterGroups/parameterGroup/enzymes')) + 2 + >>> t.set_list_params('var_mods', ('Oxidation (M)', )) + >>> var_mods = '.parameterGroups/parameterGroup/variableModifications' + >>> t.root.find(var_mods)[0].text + 'Oxidation (M)' + """ + + params = {'var_mods': + '.parameterGroups/parameterGroup/variableModifications', + 'fixed_mods': + '.parameterGroups/parameterGroup/fixedModifications', + 'proteases': + '.parameterGroups/parameterGroup/enzymes'} + + if key in params: + node = self.root.find(params[key]) + if node is None: + raise ValueError('Element {} not found in parameter file' + .format(params[key])) + node.clear() + node.tag = params[key].split('/')[-1] + for e in vals: + MQParam._add_child(node, name='string', text=e) + else: + raise ValueError("Parameter {} not found.".format(key)) + + def write(self): + rough_string = ET.tostring(self.root, 'utf-8', short_empty_elements=False) + reparsed = minidom.parseString(rough_string) + pretty = reparsed.toprettyxml(indent="\t") + even_prettier = re.sub(r"\n\s+\n", r"\n", pretty) + with open(self.mqpar_out, 'w') as f: + print(even_prettier, file=f)
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/mqwrapper.py Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,148 @@ +""" +Run MaxQuant on a modified mqpar.xml. +Use maxquant conda package. +TODO: add support for parameter groups + +Authors: Damian Glaetzer <d.glaetzer@mailbox.org> + +based on the maxquant galaxy tool by John Chilton: +https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant +""" + +import argparse +import os +import shutil +import subprocess + +import mqparam + +# build parser +parser = argparse.ArgumentParser() + +# input, special outputs and others +other_args = ('raw_files', 'mzxml_files', 'fasta_files', + 'description_parse_rule', 'identifier_parse_rule', + 'exp_design', 'output_all', + 'mqpar_out', 'infile_names', 'mzTab', + 'version', 'substitution_rx') + +# txt result files +txt_output = ('evidence', 'msms', 'parameters', + 'peptides', 'proteinGroups', 'allPeptides', + 'libraryMatch', 'matchedFeatures', + 'modificationSpecificPeptides', 'ms3Scans', + 'msmsScans', 'mzRange', 'peptideSection', + 'summary') + +# arguments for mqparam +## global +global_flags = ('calc_peak_properties', + 'write_mztab', + 'ibaq', + 'ibaq_log_fit', + 'separate_lfq', + 'lfq_stabilize_large_ratios', + 'lfq_require_msms', + 'advanced_site_intensities', + 'match_between_runs') + +global_simple_args = ('min_unique_pep', + 'num_threads', + 'min_peptide_len', + 'max_peptide_mass') + +## parameter group specific +param_group_flags = ('lfq_skip_norm',) + +param_group_simple_args = ('missed_cleavages', + 'lfq_mode', + 'lfq_min_edges_per_node', + 'lfq_avg_edges_per_node', + 'lfq_min_ratio_count') + +param_group_silac_args = ('light_mods', 'medium_mods', 'heavy_mods') + +list_args = ('fixed_mods', 'var_mods', 'proteases') + +arguments = ['--' + el for el in (txt_output + + global_simple_args + + param_group_simple_args + + list_args + + param_group_silac_args + + other_args)] + +flags = ['--' + el for el in global_flags + param_group_flags] + +for arg in arguments: + parser.add_argument(arg) +for flag in flags: + parser.add_argument(flag, action="store_true") + +args = vars(parser.parse_args()) + +# link infile datasets to names with correct extension +# for maxquant to accept them +files = (args['raw_files'] if args['raw_files'] + else args['mzxml_files']).split(',') +ftype = ".thermo.raw" if args['raw_files'] else ".mzXML" +filenames = args['infile_names'].split(',') +fnames_with_ext = [(a if a.endswith(ftype) + else os.path.splitext(a)[0] + ftype) + for a in filenames] + +for f, l in zip(files, fnames_with_ext): + os.link(f, l) + +# build mqpar.xml +mqpar_in = os.path.join(os.getcwd(), 'mqpar.xml') +subprocess.run(('maxquant', '-c', mqpar_in)) +mqpar_out = args['mqpar_out'] if args['mqpar_out'] != 'None' else mqpar_in + + +exp_design = args['exp_design'] if args['exp_design'] != 'None' else None +m = mqparam.MQParam(mqpar_out, mqpar_in, exp_design, + substitution_rx=args['substitution_rx']) +if m.version != args['version']: + raise Exception('mqpar version is ' + m.version + + '. Tool uses version {}.'.format(args['version'])) + +# modify parameters, interactive mode if no mqpar_in was specified +m.add_infiles([os.path.join(os.getcwd(), name) for name in fnames_with_ext], True) +m.add_fasta_files(args['fasta_files'].split(','), + identifier=args['identifier_parse_rule'], + description=args['description_parse_rule']) + +for e in (global_simple_args + + param_group_simple_args + + global_flags + + param_group_flags): + if args[e]: + m.set_simple_param(e, args[e]) + +for e in list_args: + if args[e]: + m.set_list_params(e, args[e].split(',')) + +if args['light_mods'] or args['medium_mods'] or args['heavy_mods']: + m.set_silac(args['light_mods'].split(',') if args['light_mods'] else None, + args['medium_mods'].split(',') if args['medium_mods'] else None, + args['heavy_mods'].split(',') if args['heavy_mods'] else None) + +m.write() + +# build and run MaxQuant command +cmd = ['maxquant', mqpar_out] + +subprocess.run(cmd, check=True, cwd='./') + +# copy results to galaxy database +for el in txt_output: + destination = args[el] + source = os.path.join(os.getcwd(), "combined", "txt", "{}.txt".format(el)) + if destination != 'None' and os.path.isfile(source): + shutil.copy(source, destination) + +if args['mzTab'] != 'None': + source = os.path.join(os.getcwd(), "combined", "txt", "mzTab.mzTab") + if os.path.isfile(source): + shutil.copy(source, args['mzTab'])
--- a/proteases.xml Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,1 +0,0 @@ -<?xml version="1.0" encoding="utf-8"?><proteases xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema"><protease name="Trypsin" semispecific="false"><rule index="1" sense="C-Term" cleave="KR" restrict="P" /></protease><protease name="Arg-C" semispecific="false"><rule index="1" sense="C-Term" cleave="R" restrict="P" /></protease><protease name="Asp-N" semispecific="false"><rule index="1" sense="N-Term" cleave="D" restrict="" /></protease><protease name="Asp-N_ambic" semispecific="false"><rule index="1" sense="N-Term" cleave="DE" restrict="" /></protease><protease name="Chymotrypsin" semispecific="false"><rule index="1" sense="C-Term" cleave="FLWY" restrict="P" /></protease><protease name="CNBr" semispecific="false"><rule index="1" sense="C-Term" cleave="M" restrict="" /></protease><protease name="CNBr+Trypsin" semispecific="false"><rule index="1" sense="C-Term" cleave="M" restrict="" /><rule index="2" sense="C-Term" cleave="KR" restrict="P" /></protease><protease name="Formic_acid" semispecific="false"><rule index="1" sense="C-Term" cleave="D" restrict="" /></protease><protease name="Lys-C" semispecific="false"><rule index="1" sense="C-Term" cleave="K" restrict="P" /></protease><protease name="Lys-C/P" semispecific="false"><rule index="1" sense="C-Term" cleave="K" restrict="" /></protease><protease name="PepsinA" semispecific="false"><rule index="1" sense="C-Term" cleave="FL" restrict="" /></protease><protease name="Tryp-CNBr" semispecific="false"><rule index="1" sense="C-Term" cleave="KMR" restrict="P" /></protease><protease name="TrypChymo" semispecific="false"><rule index="1" sense="C-Term" cleave="FKLRWY" restrict="P" /></protease><protease name="Trypsin/P" semispecific="false"><rule index="1" sense="C-Term" cleave="KR" restrict="" /></protease><protease name="Trypsin/P+DP" semispecific="false"><rule index="1" sense="C-Term" cleave="KR" restrict="" /><rule index="2" sense="C-Term" cleave="D" restrict="ACDEFGHIJKLMNQRSTVWY" /></protease><protease name="V8-DE" semispecific="false"><rule index="1" sense="C-Term" cleave="DE" restrict="P" /></protease><protease name="V8-E" semispecific="false"><rule index="1" sense="C-Term" cleave="E" restrict="P" /></protease><protease name="semiTrypsin" semispecific="true"><rule index="1" sense="C-Term" cleave="KR" restrict="P" /></protease><protease name="LysC+AspN" semispecific="false"><rule index="1" sense="N-Term" cleave="D" restrict="" /><rule index="2" sense="C-Term" cleave="K" restrict="P" /></protease><protease name="Lys-C/P+DP" semispecific="false"><rule index="1" sense="C-Term" cleave="K" restrict="" /><rule index="2" sense="C-Term" cleave="D" restrict="ACDEFGHIJKLMNQRSTVWY" /></protease><protease name="Trypsin/P + Asp-N" semispecific="false"><rule index="1" sense="N-Term" cleave="D" restrict="" /><rule index="2" sense="C-Term" cleave="KR" restrict="" /></protease><protease name="Asp-C" semispecific="false"><rule index="1" sense="C-Term" cleave="D" restrict="" /></protease><protease name="Trypsin/P+Asp-C" semispecific="false"><rule index="1" sense="C-Term" cleave="KR" restrict="" /><rule index="2" sense="C-Term" cleave="D" restrict="" /></protease><protease name="SemiLys" semispecific="true"><rule index="1" sense="C-Term" cleave="K" restrict="" /></protease><protease name="SemiGluC" semispecific="true"><rule index="1" sense="C-Term" cleave="DE" restrict="" /></protease><protease name="LysC/P+AspC" semispecific="false"><rule index="1" sense="C-Term" cleave="K" restrict="" /><rule index="2" sense="C-Term" cleave="D" restrict="" /></protease><protease name="GluC" semispecific="false"><rule index="1" sense="C-Term" cleave="E" restrict="" /></protease></proteases> \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/BSA_min_23.mzXML Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,2198 @@ +<?xml version="1.0" encoding="ISO-8859-1"?> +<mzXML xmlns="http://sashimi.sourceforge.net/schema_revision/mzXML_3.2" + xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" + xsi:schemaLocation="http://sashimi.sourceforge.net/schema_revision/mzXML_3.2 http://sashimi.sourceforge.net/schema_revision/mzXML_3.2/mzXML_idx_3.2.xsd"> + <msRun scanCount="100" startTime="PT0.1507S" endTime="PT35.6487S"> + <parentFile fileName="file:///D:\shared\dglaetzer\maxquant_tool\more rawfiles/BSA_min_23.raw" + fileType="RAWData" + fileSha1="63ee877fecd36e6af38642812ac2b877185f92af"/> + <msInstrument msInstrumentID="1"> + <msManufacturer category="msManufacturer" value="Thermo Scientific"/> + <msModel category="msModel" value="LTQ Orbitrap XL"/> + <msIonisation category="msIonisation" value="nanoelectrospray"/> + <msMassAnalyzer category="msMassAnalyzer" value="orbitrap"/> + <msDetector category="msDetector" value="inductive detector"/> + <software type="acquisition" name="Xcalibur" version="2.5.5 SP2"/> + </msInstrument> + <msInstrument msInstrumentID="2"> + <msManufacturer category="msManufacturer" value="Thermo Scientific"/> + <msModel category="msModel" value="LTQ Orbitrap XL"/> + <msIonisation category="msIonisation" value="nanoelectrospray"/> + <msMassAnalyzer category="msMassAnalyzer" value="radial ejection linear ion trap"/> + <msDetector category="msDetector" value="electron multiplier"/> + <software type="acquisition" name="Xcalibur" version="2.5.5 SP2"/> + </msInstrument> + <dataProcessing centroided="1"> + <software type="conversion" name="ProteoWizard software" version="3.0.9706"/> + <processingOperation name="Conversion to mzML"/> + <software type="processing" name="ProteoWizard software" version="3.0.9706"/> + <comment>Thermo/Xcalibur peak picking</comment> + </dataProcessing> + <scan num="1" + scanType="Full" + centroided="1" + msLevel="1" + peaksCount="782" + polarity="+" + retentionTime="PT0.1507S" + lowMz="370.207244873047" + highMz="1672.387329101563" + basePeakMz="395.239288330078" + basePeakIntensity="1.859395375e06" + totIonCurrent="2.3434522e07" + msInstrumentID="1"> + <peaks compressionType="zlib" + compressedLen="5759" + precision="32" + byteOrder="network" + 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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/bsa.fasta Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,12 @@ +>bsa sp|P02769|ALBU_BOVIN Serum albumin OS=Bos taurus OX=9913 GN=ALB PE=1 SV=4 +MKWVTFISLLLLFSSAYSRGVFRRDTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPF +DEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEP +ERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYY +ANKYNGVFQECCQAEDKGACLLPKIETMREKVLASSARQRLRCASIQKFGERALKAWSVA +RLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKE +CCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRR +HPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEK +LGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLIL +NRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLP +DTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVV +STQTALA
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/exp_design_test.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,3 @@ +Name Fraction Experiment PTM +QEplus021874 3 1 +QEplus021876 4 2
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/allPeptides.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,166 @@ +Raw file Type Charge m/z Mass Uncalibrated m/z Resolution Number of data points Number of scans Number of isotopic peaks PIF Mass fractional part Mass deficit Mass precision [ppm] Max intensity m/z 0 Retention time Retention length Retention length (FWHM) Min scan number Max scan number Identified MS/MS IDs Sequence Length Modifications Modified sequence Proteins Score Intensity Intensities Isotope pattern MS/MS Count MSMS Scan Numbers MSMS Isotope Indices +BSA_min_23 MULTI 3 710.69967 2129.0772 710.69967 NaN 5 3 2 0.077192 0.0578164096173168 1.180035 711.033930698172 0.037 8.255 0 1 25 -1 0 NaN 27555 0;16823.720703125;10726.12109375;6644.5966796875;0 7737.3974609375;9086.3232421875 0 +BSA_min_23 MULTI 3 1567.4354 4699.2845 1567.4354 NaN 5 3 2 0.284514 0.0828426326752378 7.986968 1568.10387245715 0.067 8.255 0 1 25 -1 0 NaN 137580 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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/evidence.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,7 @@ +Sequence Length Modifications Modified sequence Oxidation (M) Probabilities Oxidation (M) Score Diffs Oxidation (M) Missed cleavages Proteins Leading proteins Leading razor protein Type Raw file Experiment MS/MS m/z Charge m/z Mass Resolution Uncalibrated - Calibrated m/z [ppm] Uncalibrated - Calibrated m/z [Da] Mass error [ppm] Mass error [Da] Uncalibrated mass error [ppm] Uncalibrated mass error [Da] Max intensity m/z 0 Retention time Retention length Calibrated retention time Calibrated retention time start Calibrated retention time finish Retention time calibration Match time difference Match m/z difference Match q-value Match score Number of data points Number of scans Number of isotopic peaks PIF Fraction of total spectrum Base peak fraction PEP MS/MS count MS/MS scan number Score Delta score Combinatorics Intensity Reverse Potential contaminant id Protein group IDs Peptide ID Mod. peptide ID MS/MS IDs Best MS/MS AIF MS/MS IDs Oxidation (M) site IDs +DSFDIIK 7 Unmodified _DSFDIIK_ 0 0 CON__ENSEMBL:ENSBTAP00000016046 CON__ENSEMBL:ENSBTAP00000016046 CON__ENSEMBL:ENSBTAP00000016046 MULTI-MSMS BSA_min_23 BSA_min_23.mzXML 419.221313476563 2 419.221268 836.427984 NaN 0 0 0.54276 0.00022754 0.54276 0.00022754 419.22139467134 0.58669 0.13742 0.58669 0.46121 0.59862 0 11 4 3 0 0 0 0.010549 1 96 0 0 1 768320 + 0 2 0 0 0 0 +LLESEECR 8 Unmodified _LLESEECR_ 0 0 CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5 CON__Q14CN4-1 CON__Q14CN4-1 MSMS BSA_min_23 BSA_min_23.mzXML 518.238220214844 2 518.242406 1034.47026 NaN NaN NaN NaN NaN NaN NaN NaN 0.50957 1 0.50957 0.0095717 1.0096 0 0 0 0 0.0075205 1 86 1.6313 1.6313 1 + 1 5 1 1 1 1 +LVTDLTK 7 Unmodified _LVTDLTK_ 0 0 CON__P02769;bsa;CON__P02768-1 CON__P02769 CON__P02769 MSMS BSA_min_23 BSA_min_23.mzXML 395.239288330078 2 395.239461 788.46437 NaN NaN NaN NaN NaN NaN NaN NaN 0.010013 1 0.010013 -0.48999 0.51001 0 0 0 0 0.0046553 1 2 0 0 1 + 2 0 2 2 2 2 +QLELEKQLEK 10 Unmodified _QLELEKQLEK_ 0 1 CON__ENSEMBL:ENSBTAP00000001528 CON__ENSEMBL:ENSBTAP00000001528 CON__ENSEMBL:ENSBTAP00000001528 MULTI-SECPEP BSA_min_23 BSA_min_23.mzXML 419.221313476563 3 419.906482 1256.69762 NaN 0 0 0.052788 2.2166E-05 0.052788 2.2166E-05 419.9067499241 0.32847 0.47559 0.32847 0.12303 0.59862 0 25 14 2 0 0 0 0.011549 1 96 0 0 1 57554 + 3 1 3 3 3 3 +SLSAIRER 8 Unmodified _SLSAIRER_ 0 1 CON__Q03247 CON__Q03247 CON__Q03247 MULTI-SECPEP BSA_min_23 BSA_min_23.mzXML 465.766693115234 2 466.269616 930.524678 NaN 0 0 -3.0904 -0.0014409 -3.0904 -0.0014409 466.26850803291 0.10674 0.17216 0.10674 -0.014552 0.15761 0 6 4 2 0 0 0 0.011549 1 17 0 0 1 33499 + 4 4 4 4 4 4 +TLGPWGQR 8 Unmodified _TLGPWGQR_ 0 0 CON__ENSEMBL:ENSBTAP00000018574 CON__ENSEMBL:ENSBTAP00000018574 CON__ENSEMBL:ENSBTAP00000018574 MULTI-MSMS BSA_min_23 BSA_min_23.mzXML 457.746032714844 2 457.745776 913.477 NaN 0 0 -0.28456 -0.00013026 -0.28456 -0.00013026 457.745456355006 0.4547 0.40477 0.4547 0.19386 0.59862 -5.5511E-17 18 12 2 0 0 0 0.01108 1 72 0 0 1 61894 + 5 3 5 5 5 5
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/modificationSpecificPeptides.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,7 @@ +Sequence Modifications Mass Mass Fractional Part Protein Groups Proteins Unique (Groups) Unique (Proteins) Oxidation (M) Missed cleavages Experiment BSA_min_23.mzXML Retention time Calibrated retention time Charges PEP MS/MS scan number Raw file Score Delta score Intensity Intensity BSA_min_23.mzXML Reverse Potential contaminant id Protein group IDs Peptide ID Evidence IDs MS/MS IDs Best MS/MS Oxidation (M) site IDs MS/MS Count +DSFDIIK Unmodified 836.42798 0.42798405 2 CON__ENSEMBL:ENSBTAP00000016046 yes yes 0 0 1 0.58669 0.58669 2 0.010549 96 BSA_min_23 0 0 768320 768320 + 0 2 0 0 0 0 1 +LLESEECR Unmodified 1034.4703 0.47025958 5 CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5 yes no 0 0 1 0.50957 0.50957 2 0.0075205 86 BSA_min_23 1.6313 1.6313 0 0 + 1 5 1 1 1 1 1 +LVTDLTK Unmodified 788.46437 0.46436956 0 CON__P02769;bsa;CON__P02768-1 yes no 0 0 1 0.010013 0.010013 2 0.0046553 2 BSA_min_23 0 0 0 0 + 2 0 2 2 2 2 1 +QLELEKQLEK Unmodified 1256.6976 0.69761697 1 CON__ENSEMBL:ENSBTAP00000001528 yes yes 0 1 1 0.32847 0.32847 3 0.011549 96 BSA_min_23 0 0 57554 57554 + 3 1 3 3 3 3 0 +SLSAIRER Unmodified 930.52468 0.52467841 4 CON__Q03247 yes yes 0 1 1 0.10674 0.10674 2 0.011549 17 BSA_min_23 0 0 33499 33499 + 4 4 4 4 4 4 0 +TLGPWGQR Unmodified 913.477 0.47699993 3 CON__ENSEMBL:ENSBTAP00000018574 yes yes 0 0 1 0.4547 0.4547 2 0.01108 72 BSA_min_23 0 0 61894 61894 + 5 3 5 5 5 5 1
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/msms.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,7 @@ +Raw file Scan number Scan index Sequence Length Missed cleavages Modifications Modified sequence Oxidation (M) Probabilities Oxidation (M) Score Diffs Oxidation (M) Proteins Charge Fragmentation Mass analyzer Type Scan event number Isotope index m/z Mass Mass error [ppm] Mass error [Da] Simple mass error [ppm] Retention time PEP Score Delta score Score diff Localization prob Combinatorics PIF Fraction of total spectrum Base peak fraction Precursor Full ScanNumber Precursor Intensity Precursor Apex Fraction Precursor Apex Offset Precursor Apex Offset Time Matches Intensities Mass Deviations [Da] Mass Deviations [ppm] Masses Number of Matches Intensity coverage Peak coverage Neutral loss level ETD identification type Reverse All scores All sequences All modified sequences id Protein group IDs Peptide ID Mod. peptide ID Evidence ID Oxidation (M) site IDs +BSA_min_23 96 77 DSFDIIK 7 0 Unmodified _DSFDIIK_ 0 CON__ENSEMBL:ENSBTAP00000016046 2 CID FTMS MULTI-MSMS 1 0 419.22127 836.42798 0.54276 0.00022754 NaN 0.57043 0.010549 0 0 NaN NaN 1 0 0 0 95 346270.625 0.704625040984097 -1 0.0243583333333334 0 0 0 None Unknown 0 DSFDIIK _DSFDIIK_ 0 2 0 0 0 +BSA_min_23 86 70 LLESEECR 8 0 Unmodified _LLESEECR_ 0 CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5 2 CID FTMS MSMS 5 518.24241 1034.4703 NaN NaN NaN 0.50957 0.0075205 1.6313 1.6313 NaN NaN 1 0 0 0 81 10271.2001953125 1 0 0 y6 11.7 0.0135096433999706 16.6930827476743 809.2958984375 1 0.00309955136349784 0.00847457627118644 None Unknown 1.63126590808724;0;0 LLESEECR;LGSDMEDLR;QLNQEMEK _LLESEECR_;_LGSDMEDLR_;_QLNQEM(ox)EK_ 1 5 1 1 1 +BSA_min_23 2 0 LVTDLTK 7 0 Unmodified _LVTDLTK_ 0 CON__P02769;bsa;CON__P02768-1 2 CID FTMS MSMS 1 395.23946 788.46437 NaN NaN NaN 0.010013 0.0046553 0 0 NaN NaN 1 0 0 0 -1 NaN NaN 0 NaN 0 0 0 None Unknown 0;0 LVTDLTK;DSLLTLK _LVTDLTK_;_DSLLTLK_ 2 0 2 2 2 +BSA_min_23 96 77 QLELEKQLEK 10 1 Unmodified _QLELEKQLEK_ 0 CON__ENSEMBL:ENSBTAP00000001528 3 CID FTMS MULTI-SECPEP 1 -2 419.90648 1256.6976 0.052788 2.2166E-05 NaN 0.57043 0.011549 0 0 NaN NaN 1 0 0 0 95 346270.625 0.704625040984097 -1 0.0243583333333334 0 0 0 None Unknown 0 QLELEKQLEK _QLELEKQLEK_ 3 1 3 3 3 +BSA_min_23 17 13 SLSAIRER 8 1 Unmodified _SLSAIRER_ 0 CON__Q03247 2 CID FTMS MULTI-SECPEP 4 -1 466.26962 930.52468 -3.0904 -0.0014409 NaN 0.096553 0.011549 0 0 NaN NaN 1 0 0 0 -1 NaN NaN 0 NaN 0 0 0 None Unknown 0 SLSAIRER _SLSAIRER_ 4 4 4 4 4 +BSA_min_23 72 58 TLGPWGQR 8 0 Unmodified _TLGPWGQR_ 0 CON__ENSEMBL:ENSBTAP00000018574 2 CID FTMS MULTI-MSMS 1 0 457.74578 913.477 -0.28456 -0.00013026 NaN 0.42593 0.01108 0 0 NaN NaN 1 0 0 0 71 32936.3203125 0.758644306612328 -2 0.0615566666666666 0 0 0 None Unknown 0;0 TLGPWGQR;IHVFNER _TLGPWGQR_;_IHVFNER_ 5 3 5 5 5
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/msmsScans.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,82 @@ +Raw file Scan number Retention time Ion injection time Total ion current Collision energy Summations Base peak intensity Elapsed time Identified MS/MS IDs Sequence Length Filtered peaks m/z Mass Charge Type Fragmentation Mass analyzer Parent intensity fraction Fraction of total spectrum Base peak fraction Precursor full scan number Precursor intensity Precursor apex fraction Precursor apex offset Precursor apex offset time Scan event number Modifications Modified sequence Proteins Score Experiment Intens Comp Factor CTCD Comp RawOvFtT AGC Fill Scan index MS scan index MS scan number +BSA_min_23 2 0.010013 -1 35863 35 0 0 -1 + 2 LVTDLTK 7 103 395.239288330078 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 Unmodified _LVTDLTK_ bsa;CON__P02768-1;CON__P02769 0 BSA_min_23.mzXML NaN NaN NaN 0 0 0 1 +BSA_min_23 3 0.01458 -1 30585 35 0 0 -1 - -1 0 164 552.918823242188 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 1 0 1 +BSA_min_23 4 0.020265 -1 11886 35 0 0 -1 - -1 0 126 676.387463660038 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 2 0 1 +BSA_min_23 5 0.025633 -1 12813 35 0 0 -1 - -1 0 146 751.810668945313 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 3 0 1 +BSA_min_23 6 0.031253 -1 10791 35 0 0 -1 - -1 0 124 670.800842285156 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 4 0 1 +BSA_min_23 8 0.044372 -1 7950.3 35 0 0 -1 - -1 0 111 456.581360511828 2733.44450427137 6 MULTI CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 5 1 7 +BSA_min_23 9 0.049315 -1 13730 35 0 0 -1 - -1 0 120 562.257629394531 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 6 1 7 +BSA_min_23 10 0.05446 -1 8774.7 35 0 0 -1 - -1 0 121 589.203410887949 588.196134421349 1 MULTI CID FTMS 0 0 0 -1 NaN NaN 0 NaN 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 7 1 7 +BSA_min_23 11 0.06018 -1 4436.2 35 0 0 -1 - -1 0 115 828.876770019531 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 8 1 7 +BSA_min_23 12 0.065908 -1 3625.8 35 0 0 -1 - -1 0 112 639.798400878906 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 9 1 7 +BSA_min_23 14 0.078957 -1 13236 35 0 0 -1 - -1 0 137 883.333059829652 1764.6515667261 2 MULTI CID FTMS 0 0 0 13 171569.53125 0.0583552615411773 -4 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 10 2 13 +BSA_min_23 15 0.084805 -1 6304.6 35 0 0 -1 - -1 0 120 602.8994140625 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 11 2 13 +BSA_min_23 16 0.090573 -1 12119 35 0 0 -1 - -1 0 135 648.602708784548 1942.78629695384 3 MULTI CID FTMS 0 0 0 13 52074.7734375 0.102435594507697 -16 NaN 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 12 2 13 +BSA_min_23 17 0.096553 -1 5932.3 35 0 0 -1 - -1 0 110 465.766693115234 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 13 2 13 +BSA_min_23 18 0.10154 -1 4161.5 35 0 0 -1 - -1 0 108 605.758117675781 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 14 2 13 +BSA_min_23 20 0.11439 -1 65173 35 0 0 -1 - -1 0 102 387.700285234344 NaN 0 PEAK CID FTMS 0 0 0 19 5176.81640625 0.231645826498235 -7 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 15 3 19 +BSA_min_23 21 0.11842 -1 33705 35 0 0 -1 - -1 0 123 430.226482307928 NaN 0 PEAK CID FTMS 0 0 0 19 7040.359375 0.343536017509867 -2 0.0701033333333334 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 16 3 19 +BSA_min_23 22 0.1234 -1 9502.6 35 0 0 -1 - -1 0 111 455.744353147131 NaN 0 PEAK CID FTMS 0 0 0 19 112493.5 0.827447086298523 -1 0.0355433333333333 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 17 3 19 +BSA_min_23 23 0.12833 -1 2553.5 35 0 0 -1 - -1 0 105 664.964606092136 1991.87198887661 3 MULTI CID FTMS 0 0 0 19 58531.14453125 1 0 0 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 18 3 19 +BSA_min_23 24 0.13435 -1 5665.1 35 0 0 -1 - -1 0 93 441.716446446474 881.418339959749 2 MULTI CID FTMS 0 0 0 19 40583.5390625 0.581327680935085 -1 0.0355433333333333 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 19 3 19 +BSA_min_23 26 0.14696 -1 4965.5 35 0 0 -1 - -1 0 111 972.401410273474 1942.78826761375 2 MULTI CID FTMS 0 0 0 25 65218.546875 0.578387033725099 -12 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 20 4 25 +BSA_min_23 27 0.15284 -1 3538.8 35 0 0 -1 - -1 0 124 903.846651631555 1805.67875032991 2 MULTI CID FTMS 0 0 0 25 39216.41796875 1 0 0 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 21 4 25 +BSA_min_23 28 0.15869 -1 612.01 35 0 0 -1 - -1 0 40 931.328202121547 1860.64185130989 2 MULTI CID FTMS 0 0 0 25 32505.169921875 0.556008699617638 -3 0.102683333333333 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 22 4 25 +BSA_min_23 29 0.16448 -1 3712.5 35 0 0 -1 - -1 0 134 730.799031095722 1459.58350925824 2 MULTI CID FTMS 0 0 0 25 39553.00390625 1 0 0 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 23 4 25 +BSA_min_23 30 0.17003 -1 5047.2 35 0 0 -1 - -1 0 108 585.918893568188 1754.73485130476 3 MULTI CID FTMS 0 0 0 25 27986.6171875 0.487805831250134 -2 0.0681233333333334 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 24 4 25 +BSA_min_23 32 0.18323 -1 3672.2 35 0 0 -1 - -1 0 95 597.209739443197 NaN 0 PEAK CID FTMS 0 0 0 31 45858.6953125 0.706827549584025 -2 0.0691516666666667 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 25 5 31 +BSA_min_23 33 0.18901 -1 10554 35 0 0 -1 - -1 0 112 487.53462335476 1459.58204066448 3 MULTI CID FTMS 0 0 0 31 17205.21875 0.534308072152896 2 -0.07205 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 26 5 31 +BSA_min_23 34 0.19399 -1 794.02 35 0 0 -1 - -1 0 53 931.328202121547 1860.64185130989 2 MULTI CID FTMS 0 0 0 31 40352.77734375 0.775544041279623 -1 0.0365716666666666 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 27 5 31 +BSA_min_23 35 0.19977 -1 6966.5 35 0 0 -1 - -1 0 119 622.281005859375 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 28 5 31 +BSA_min_23 36 0.20575 -1 2000.1 35 0 0 -1 - -1 0 122 843.968139648438 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 29 5 31 +BSA_min_23 38 0.21916 -1 3920.8 35 0 0 -1 - -1 0 120 703.140521860943 4212.79947236606 6 MULTI CID FTMS 0 0 0 37 38276.57421875 1 0 0 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 30 6 37 +BSA_min_23 39 0.22523 -1 7753.4 35 0 0 -1 - -1 0 121 542.752915907862 NaN 0 PEAK CID FTMS 0 0 0 37 7960.71728515625 0.810623529138009 -1 0.0359233333333333 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 31 6 37 +BSA_min_23 40 0.23041 -1 2121.2 35 0 0 -1 - -1 0 108 686.596525404719 2056.76774681436 3 MULTI CID FTMS 0 0 0 37 47932.00390625 1 0 0 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 32 6 37 +BSA_min_23 41 0.23643 -1 2589.1 35 0 0 -1 - -1 0 110 592.559742773291 1774.65739892007 3 MULTI CID FTMS 0 0 0 37 51832.45703125 1 0 0 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 33 6 37 +BSA_min_23 42 0.24218 -1 6786.4 35 0 0 -1 - -1 0 114 558.888078141406 1673.64240502442 3 MULTI CID FTMS 0 0 0 37 50127.9140625 0.805054408903464 -3 0.105075 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 34 6 37 +BSA_min_23 44 0.25533 -1 3829.3 35 0 0 -1 - -1 0 126 808.753845214844 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 35 7 43 +BSA_min_23 45 0.26131 -1 2056.8 35 0 0 -1 - -1 0 95 686.596525404719 2056.76774681436 3 MULTI CID FTMS 0 0 0 43 42148.32421875 1 0 0 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 36 7 43 +BSA_min_23 46 0.26732 -1 4217.2 35 0 0 -1 - -1 0 115 703.140521860943 4212.79947236606 6 MULTI CID FTMS 0 0 0 43 34525.390625 0.901997927706068 1 -0.0366366666666667 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 37 7 43 +BSA_min_23 47 0.27336 -1 4417.5 35 0 0 -1 - -1 0 112 674.296931013294 NaN 0 PEAK CID FTMS 0 0 0 43 36233.25 0.312245808501738 -5 0.176745 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 38 7 43 +BSA_min_23 48 0.27939 -1 4893.8 35 0 0 -1 - -1 0 114 525.286926269531 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 39 7 43 +BSA_min_23 50 0.29214 -1 2694.3 35 0 0 -1 - -1 0 118 844.169032154843 4215.80877844122 5 MULTI CID FTMS 0 0 0 49 18802.0625 1 0 0 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 40 8 49 +BSA_min_23 51 0.29815 -1 4123.5 35 0 0 -1 - -1 0 123 674.296931013294 NaN 0 PEAK CID FTMS 0 0 0 49 37438.125 0.322629010906119 -4 0.145258333333333 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 41 8 49 +BSA_min_23 52 0.30417 -1 2801.3 35 0 0 -1 - -1 0 103 629.356568937177 1256.69858494115 2 MULTI CID FTMS 0 0 0 49 47581.3515625 1 0 0 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 42 8 49 +BSA_min_23 53 0.30942 -1 3120.2 35 0 0 -1 - -1 0 121 747.856093035124 1493.69763313705 2 MULTI CID FTMS 0 0 0 49 27482.5703125 1 0 0 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 43 8 49 +BSA_min_23 54 0.31497 -1 1089.3 35 0 0 -1 - -1 0 87 1177.44225204557 3529.3049267369 3 MULTI CID FTMS 0 0 0 49 22208.09765625 0.573548719035153 2 -0.0722016666666667 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 44 8 49 +BSA_min_23 56 0.32853 -1 4609.2 35 0 0 -1 - -1 0 134 808.5537109375 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 45 9 55 +BSA_min_23 57 0.33454 -1 4781 35 0 0 -1 - -1 0 114 491.773453701772 981.532354470344 2 MULTI CID FTMS 0 0 0 55 66131.3984375 1 0 0 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 46 9 55 +BSA_min_23 58 0.33958 -1 3940 35 0 0 -1 - -1 0 120 674.296931013294 NaN 0 PEAK CID FTMS 0 0 0 55 46957.76171875 0.404665998035039 -3 0.10925 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 47 9 55 +BSA_min_23 59 0.34561 -1 5227 35 0 0 -1 - -1 0 94 517.743469238281 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 48 9 55 +BSA_min_23 60 0.35072 -1 3062.2 35 0 0 -1 - -1 0 101 664.964606092136 1991.87198887661 3 MULTI CID FTMS 0 0 0 55 33396.828125 0.665850940487736 5 -0.158593333333333 5 NaN BSA_min_23.mzXML NaN NaN NaN 0 49 9 55 +BSA_min_23 62 0.36446 -1 6953.5 35 0 0 -1 - -1 0 98 460.254338656322 459.247062189722 1 MULTI CID FTMS 0 0 0 61 110063.5625 0.350472556233784 3 -0.0859683333333334 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 50 10 61 +BSA_min_23 63 0.36944 -1 3605.8 35 0 0 -1 - -1 0 128 700.332580566406 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 51 10 61 +BSA_min_23 64 0.37486 -1 1611.8 35 0 0 -1 - -1 0 101 1177.47069699992 1176.46342053332 1 MULTI CID FTMS 0 0 0 -1 NaN NaN 0 NaN 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 52 10 61 +BSA_min_23 66 0.3885 -1 5670 35 0 0 -1 - -1 0 100 622.5341796875 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 1 NaN BSA_min_23.mzXML NaN NaN NaN 0 53 11 65 +BSA_min_23 67 0.39452 -1 3085.9 35 0 0 -1 - -1 0 115 594.556274414063 NaN 0 PEAK CID FTMS 0 0 0 -1 NaN NaN 0 NaN 2 NaN BSA_min_23.mzXML NaN NaN NaN 0 54 11 65 +BSA_min_23 68 0.40026 -1 1992.2 35 0 0 -1 - -1 0 96 686.596525404719 2056.76774681436 3 MULTI CID FTMS 0 0 0 65 21625.0703125 0.451161406787757 5 -0.157466666666667 3 NaN BSA_min_23.mzXML NaN NaN NaN 0 55 11 65 +BSA_min_23 69 0.40626 -1 1117.7 35 0 0 -1 - -1 0 76 1173.07641144645 2344.1382699597 2 MULTI CID FTMS 0 0 0 65 24950.53125 1 0 0 4 NaN BSA_min_23.mzXML NaN NaN NaN 0 56 11 65 +BSA_min_23 70 0.41227 -1 2287.8 35 0 0 -1 - 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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/mzTab.mzTab Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,45 @@ +MTD mzTab-version 1.0.0 +MTD mzTab-mode Complete +MTD mzTab-type Identification +MTD title null +MTD description null +MTD software[1] [MS, MS:1001583, MaxQuant,1.6.3.4] +COM [, CHEMMOD:57.0214637236, Carbamidomethyl (C),] +MTD fixed_mod[1] [, , CHEMMOD:57.0214637236,] +MTD fixed_mod[1]-site C +MTD fixed_mod[1]-position Anywhere +COM [, CHEMMOD:15.9949146221, Oxidation (M),] +MTD variable_mod[1] [, , CHEMMOD:15.9949146221,] +MTD variable_mod[1]-site M +MTD variable_mod[1]-position Anywhere +MTD protein_search_engine_score[1] [MS, MS:1002375, protein group-level combined FDRscore, ] +MTD peptide_search_engine_score[1] [MS, MS:1001250, local FDR, ] +MTD psm_search_engine_score[1] [MS, MS:1002338, Andromeda:score, ] +MTD psm_search_engine_score[2] [MS, MS:1002995, Andromeda:PEP, ] +MTD ms_run[1]-format [MS, MS:1002996, Andromeda:apl file format, ] +MTD ms_run[1]-location file://d:/shared/dglaetzer/maxquant_tool/test1/combined/andromeda/allspectra.cid.ftms.secpep.sil0_0.apl +MTD ms_run[1]-id_format [MS, MS:1000776, scan number only nativeID format, ] +MTD ms_run[2]-format [MS, MS:1002996, Andromeda:apl file format, ] +MTD ms_run[2]-location file://d:/shared/dglaetzer/maxquant_tool/test1/combined/andromeda/allspectra.cid.ftms.iso_0.apl +MTD ms_run[2]-id_format [MS, MS:1000776, scan number only nativeID format, ] + +PRH accession description taxid species database database_version search_engine best_search_engine_score[1] search_engine_score[1]_ms_run[1] search_engine_score[1]_ms_run[2] num_psms_ms_run[1] num_psms_ms_run[2] num_peptides_distinct_ms_run[1] num_peptides_distinct_ms_run[2] num_peptides_unique_ms_run[1] num_peptides_unique_ms_run[2] ambiguity_members modifications protein_coverage opt_global_cv_MS:1002217_decoy_peptide +PRT CON__P02769 null null null null null [MS, MS:1002337, Andromeda, 1.6.3.4] 6.33205607832812 null null null null null null null null CON__P02769, bsa, CON__P02768-1 null 0.012 0 +PRT CON__ENSEMBL:ENSBTAP00000001528 null null null null null [MS, MS:1002337, Andromeda, 1.6.3.4] 5.93746772688895 null null null null null null null null CON__ENSEMBL:ENSBTAP00000001528 null 0.008 0 +PRT CON__ENSEMBL:ENSBTAP00000016046 null null null null null [MS, MS:1002337, Andromeda, 1.6.3.4] 5.97677849538172 null null null null null null null null CON__ENSEMBL:ENSBTAP00000016046 null 0.01 0 +PRT CON__ENSEMBL:ENSBTAP00000018574 null null null null null [MS, MS:1002337, Andromeda, 1.6.3.4] 5.95544937626172 null null null null null null null null CON__ENSEMBL:ENSBTAP00000018574 null 0.016 0 +PRT CON__Q03247 null null null null null [MS, MS:1002337, Andromeda, 1.6.3.4] 5.93746772688895 null null null null null null null null CON__Q03247 null 0.025 0 +PRT CON__Q14CN4-1 null null null null null [MS, MS:1002337, Andromeda, 1.6.3.4] 6.1237531147968 null null null null null null null null CON__Q14CN4-1, CON__Q3SY84, CON__Q9R0H5 null 0.016 0 + +PSH sequence PSM_ID accession unique database database_version search_engine search_engine_score[1] search_engine_score[2] modifications retention_time charge exp_mass_to_charge calc_mass_to_charge spectra_ref pre post start end opt_global_cv_MS:1000776_scan_number_only_nativeID_format opt_global_cv_MS:1002217_decoy_peptide +PSM DSFDIIK 1 CON__ENSEMBL:ENSBTAP00000016046 1 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 0 0.010549248059121 null 0.570428333333333 2 419.22 419.22127 ms_run[2]:index=5 R R 646 652 96 0 +PSM LLESEECR 2 CON__Q14CN4-1 0 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 1.63126590808724 0.00752050293704335 null 0.509571666666667 2 518.24 518.24241 ms_run[2]:index=13 K M 430 437 86 0 +PSM LLESEECR 2 CON__Q3SY84 0 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 1.63126590808724 0.00752050293704335 null 0.509571666666667 2 518.24 518.24241 ms_run[2]:index=13 K M 430 437 86 0 +PSM LLESEECR 2 CON__Q9R0H5 0 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 1.63126590808724 0.00752050293704335 null 0.509571666666667 2 518.24 518.24241 ms_run[2]:index=13 K M 430 437 86 0 +PSM LVTDLTK 3 CON__P02769 0 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 0 0.00465525978542915 null 0.0100133333333333 2 395.24 395.23946 ms_run[2]:index=4 K V 257 263 2 0 +PSM LVTDLTK 3 bsa 0 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 0 0.00465525978542915 null 0.0100133333333333 2 395.24 395.23946 ms_run[2]:index=4 K V 257 263 2 0 +PSM LVTDLTK 3 CON__P02768-1 0 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 0 0.00465525978542915 null 0.0100133333333333 2 395.24 395.23946 ms_run[2]:index=4 K V 257 263 2 0 +PSM QLELEKQLEK 4 CON__ENSEMBL:ENSBTAP00000001528 1 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 0 0.0115486780155693 null 0.570428333333333 3 419.91 419.90648 ms_run[1]:index=5 R Q 408 417 96 0 +PSM SLSAIRER 5 CON__Q03247 1 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 0 0.0115486780155693 null 0.0965533333333333 2 466.27 466.26962 ms_run[1]:index=2 R F 190 197 17 0 +PSM TLGPWGQR 6 CON__ENSEMBL:ENSBTAP00000018574 1 null null [MS, MS:1002338, Andromeda:score, 1.6.3.4] 0 0.0110802771561295 null 0.425933333333333 2 457.75 457.74578 ms_run[2]:index=9 R D 20 27 72 0 +
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/parameters.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,105 @@ +Parameter Value +Version 1.6.3.4 +User name dglaetzer +Machine name FPROT-BEAST +Date of writing 04/04/2019 17:32:37 +Include contaminants True +PSM FDR 0.01 +PSM FDR Crosslink 0.01 +Protein FDR 0.01 +Site FDR 0.01 +Use Normalized Ratios For Occupancy True +Min. peptide Length 7 +Min. score for unmodified peptides 0 +Min. score for modified peptides 40 +Min. delta score for unmodified peptides 0 +Min. delta score for modified peptides 6 +Min. unique peptides 0 +Min. razor peptides 1 +Min. peptides 1 +Use only unmodified peptides and True +Modifications included in protein quantification Oxidation (M) +Peptides used for protein quantification Razor +Discard unmodified counterpart peptides True +Label min. ratio count 2 +Use delta score False +iBAQ False +iBAQ log fit False +Match between runs False +Find dependent peptides False +Fasta file D:\fasta\bsa.fasta +Decoy mode revert +Include contaminants True +Advanced ratios True +Fixed andromeda index folder +Temporary folder +Combined folder location +Second peptides True +Stabilize large LFQ ratios True +Separate LFQ in parameter groups False +Require MS/MS for LFQ comparisons True +Calculate peak properties False +Main search max. combinations 200 +Advanced site intensities True +Write msScans table False +Write msmsScans table True +Write ms3Scans table True +Write allPeptides table True +Write mzRange table True +Write pasefMsmsScans table True +Write accumulatedPasefMsmsScans table True +Max. peptide mass [Da] 4600 +Min. peptide length for unspecific search 8 +Max. peptide length for unspecific search 25 +Razor protein FDR True +Disable MD5 False +Max mods in site table 3 +Match unidentified features False +Epsilon score for mutations +Evaluate variant peptides separately True +Variation mode None +MS/MS tol. (FTMS) 20 ppm +Top MS/MS peaks per Da interval. (FTMS) 12 +Da interval. (FTMS) 100 +MS/MS deisotoping (FTMS) True +MS/MS deisotoping tolerance (FTMS) 7 +MS/MS deisotoping tolerance unit (FTMS) ppm +MS/MS higher charges (FTMS) True +MS/MS water loss (FTMS) True +MS/MS ammonia loss (FTMS) True +MS/MS dependent losses (FTMS) True +MS/MS recalibration (FTMS) False +MS/MS tol. (ITMS) 0.5 Da +Top MS/MS peaks per Da interval. (ITMS) 8 +Da interval. (ITMS) 100 +MS/MS deisotoping (ITMS) False +MS/MS deisotoping tolerance (ITMS) 0.15 +MS/MS deisotoping tolerance unit (ITMS) Da +MS/MS higher charges (ITMS) True +MS/MS water loss (ITMS) True +MS/MS ammonia loss (ITMS) True +MS/MS dependent losses (ITMS) True +MS/MS recalibration (ITMS) False +MS/MS tol. (TOF) 40 ppm +Top MS/MS peaks per Da interval. (TOF) 10 +Da interval. (TOF) 100 +MS/MS deisotoping (TOF) True +MS/MS deisotoping tolerance (TOF) 0.01 +MS/MS deisotoping tolerance unit (TOF) Da +MS/MS higher charges (TOF) True +MS/MS water loss (TOF) True +MS/MS ammonia loss (TOF) True +MS/MS dependent losses (TOF) True +MS/MS recalibration (TOF) False +MS/MS tol. (Unknown) 0.5 Da +Top MS/MS peaks per Da interval. (Unknown) 8 +Da interval. (Unknown) 100 +MS/MS deisotoping (Unknown) False +MS/MS deisotoping tolerance (Unknown) 0.15 +MS/MS deisotoping tolerance unit (Unknown) Da +MS/MS higher charges (Unknown) True +MS/MS water loss (Unknown) True +MS/MS ammonia loss (Unknown) True +MS/MS dependent losses (Unknown) True +MS/MS recalibration (Unknown) False +Site tables Oxidation (M)Sites.txt
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/peptideSection.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,7 @@ +PEH sequence accession unique database database_version search_engine best_search_engine_score[1] search_engine_score[1]_ms_run[0] modifications retention_time retention_time_window charge mass_to_charge spectra_ref peptide_abundance_study_variable[0] peptide_abundance_stdev_study_variable[0] peptide_abundance_std_error_study_variable[0] +PEP DSFDIIK null +PEP LLESEECR null +PEP LVTDLTK null +PEP QLELEKQLEK null +PEP SLSAIRER null +PEP TLGPWGQR null
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/peptides.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,7 @@ +Sequence N-term cleavage window C-term cleavage window Amino acid before First amino acid Second amino acid Second last amino acid Last amino acid Amino acid after A Count R Count N Count D Count C Count Q Count E Count G Count H Count I Count L Count K Count M Count F Count P Count S Count T Count W Count Y Count V Count U Count O Count Length Missed cleavages Mass Proteins Leading razor protein Start position End position Unique (Groups) Unique (Proteins) Charges PEP Score Experiment BSA_min_23.mzXML Intensity Intensity BSA_min_23.mzXML Reverse Potential contaminant id Protein group IDs Mod. peptide IDs Evidence IDs MS/MS IDs Best MS/MS Oxidation (M) site IDs MS/MS Count +DSFDIIK NHADIIFDITDGNLRDSFDIIKRYMDGMTV DITDGNLRDSFDIIKRYMDGMTVGVVRQVR R D S I K R 0 0 0 2 0 0 0 0 0 2 0 1 0 1 0 1 0 0 0 0 0 0 7 0 836.42798 CON__ENSEMBL:ENSBTAP00000016046 CON__ENSEMBL:ENSBTAP00000016046 646 652 yes yes 2 0.010549 0 1 768320 768320 + 0 2 0 0 0 0 1 +LLESEECR SLKLALDMEIATYRKLLESEECRMSGEYPN EIATYRKLLESEECRMSGEYPNSVSISVIS K L L C R M 0 1 0 0 1 0 3 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 8 0 1034.4703 CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5 CON__Q14CN4-1 430 437 yes no 2 0.0075205 1.6313 1 0 0 + 1 5 1 1 1 1 1 +LVTDLTK LSQKFPKAEFVEVTKLVTDLTKVHKECCHG AEFVEVTKLVTDLTKVHKECCHGDLLECAD K L V T K V 0 0 0 1 0 0 0 0 0 0 2 1 0 0 0 0 2 0 0 1 0 0 7 0 788.46437 CON__P02769;bsa;CON__P02768-1 CON__P02769 257 263 yes no 2 0.0046553 0 1 0 0 + 2 0 2 2 2 2 1 +QLELEKQLEK QERKERERQEQERKRQLELEKQLEKQRELE QERKRQLELEKQLEKQRELERQREEERRKE R Q L E K Q 0 0 0 0 0 2 3 0 0 0 3 2 0 0 0 0 0 0 0 0 0 0 10 1 1256.6976 CON__ENSEMBL:ENSBTAP00000001528 CON__ENSEMBL:ENSBTAP00000001528 408 417 yes yes 3 0.011549 0 1 57554 57554 + 3 1 3 3 3 3 0 +SLSAIRER RLAVYQAGASEGAERSLSAIRERFGPLVEQ ASEGAERSLSAIRERFGPLVEQGQSRAATL R S L E R F 1 2 0 0 0 0 1 0 0 1 1 0 0 0 0 2 0 0 0 0 0 0 8 1 930.52468 CON__Q03247 CON__Q03247 190 197 yes yes 2 0.011549 0 1 33499 33499 + 4 4 4 4 4 4 0 +TLGPWGQR LRPLLLALLLASACRTLGPWGQRDDGGGEP LLASACRTLGPWGQRDDGGGEPESMEPRWG R T L Q R D 0 1 0 0 0 1 0 2 0 0 1 0 0 0 1 0 1 1 0 0 0 0 8 0 913.477 CON__ENSEMBL:ENSBTAP00000018574 CON__ENSEMBL:ENSBTAP00000018574 20 27 yes yes 2 0.01108 0 1 61894 61894 + 5 3 5 5 5 5 1
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/proteinGroups.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,7 @@ +Protein IDs Majority protein IDs Peptide counts (all) Peptide counts (razor+unique) Peptide counts (unique) Fasta headers Number of proteins Peptides Razor + unique peptides Unique peptides Peptides BSA_min_23.mzXML Razor + unique peptides BSA_min_23.mzXML Unique peptides BSA_min_23.mzXML Sequence coverage [%] Unique + razor sequence coverage [%] Unique sequence coverage [%] Mol. weight [kDa] Sequence length Sequence lengths Q-value Score Sequence coverage BSA_min_23.mzXML [%] Intensity Intensity BSA_min_23.mzXML MS/MS count Only identified by site Reverse Potential contaminant id Peptide IDs Peptide is razor Mod. peptide IDs Evidence IDs MS/MS IDs Best MS/MS Oxidation (M) site IDs Oxidation (M) site positions +CON__P02769;bsa;CON__P02768-1 CON__P02769;bsa;CON__P02768-1 1;1;1 1;1;1 1;1;1 ;bsa sp|P02769|ALBU_BOVIN Serum albumin OS=Bos taurus OX=9913 GN=ALB PE=1 SV=4; 3 1 1 1 1 1 1 1.2 1.2 1.2 69.293 607 607;607;609 0 6.3321 1.2 0 0 1 + 0 2 True 2 2 2 2 +CON__ENSEMBL:ENSBTAP00000001528 CON__ENSEMBL:ENSBTAP00000001528 1 1 1 1 1 1 1 1 1 1 0.8 0.8 0.8 137.98 1222 1222 0 5.9375 0.8 57554 57554 0 + 1 3 True 3 3 3 3 +CON__ENSEMBL:ENSBTAP00000016046 CON__ENSEMBL:ENSBTAP00000016046 1 1 1 1 1 1 1 1 1 1 1 1 1 77.456 706 706 0 5.9768 1 768320 768320 1 + 2 0 True 0 0 0 0 +CON__ENSEMBL:ENSBTAP00000018574 CON__ENSEMBL:ENSBTAP00000018574 1 1 1 1 1 1 1 1 1 1 1.6 1.6 1.6 55.207 496 496 0 5.9554 1.6 61894 61894 1 + 3 5 True 5 5 5 5 +CON__Q03247 CON__Q03247 1 1 1 1 1 1 1 1 1 1 2.5 2.5 2.5 35.979 316 316 0 5.9375 2.5 33499 33499 0 + 4 4 True 4 4 4 4 +CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5 CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5 1;1;1 1;1;1 1;1;1 ;; 3 1 1 1 1 1 1 1.6 1.6 1.6 55.877 511 511;523;524 0 6.1238 1.6 0 0 1 + 5 1 True 1 1 1 1
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/combined/txt/summary.txt Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,3 @@ +Raw file Experiment Enzyme Enzyme mode Enzyme first search Enzyme mode first search Use enzyme first search Variable modifications Fixed modifications Multi modifications Variable modifications first search Use variable modifications first search Requantify Multiplicity Max. missed cleavages Labels0 LC-MS run type Time-dependent recalibration MS MS/MS MS3 MS/MS Submitted MS/MS Submitted (SIL) MS/MS Submitted (ISO) MS/MS Submitted (PEAK) MS/MS Identified MS/MS Identified (SIL) MS/MS Identified (ISO) MS/MS Identified (PEAK) MS/MS Identified [%] MS/MS Identified (SIL) [%] MS/MS Identified (ISO) [%] MS/MS Identified (PEAK) [%] Peptide Sequences Identified Peaks Peaks Sequenced Peaks Sequenced [%] Peaks Repeatedly Sequenced Peaks Repeatedly Sequenced [%] Isotope Patterns Isotope Patterns Sequenced Isotope Patterns Sequenced (z>1) Isotope Patterns Sequenced [%] Isotope Patterns Sequenced (z>1) [%] Isotope Patterns Repeatedly Sequenced Isotope Patterns Repeatedly Sequenced [%] Recalibrated Av. Absolute Mass Deviation [ppm] Mass Standard Deviation [ppm] Av. Absolute Mass Deviation [mDa] Mass Standard Deviation [mDa] +BSA_min_23 BSA_min_23.mzXML Trypsin/P Specific False Oxidation (M) Carbamidomethyl (C) False False 1 1 Standard 19 81 0 111 51 0 60 4 2 0 2 3.6 3.92 NaN 3.33 6 1201 57 4.75 4 7.02 165 39 35 23.64 26.52 10 25.64 + 0.41463 0.43436 0.1789 0.18539 +Total 19 81 0 111 51 0 60 4 2 0 2 3.6 3.92 NaN 3.33 6 1201 165 39 35 23.64 26.52 10 25.64 0.41463 0.43436 0.1789 0.18539
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/single/mqpar.xml Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,426 @@ +<?xml version="1.0" encoding="utf-8"?> +<MaxQuantParams xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"> + <fastaFiles> + <FastaFileInfo> + <fastaFilePath>D:\fasta\bsa.fasta</fastaFilePath> + <identifierParseRule>>([^\s]*)</identifierParseRule> + <descriptionParseRule>>(.*)</descriptionParseRule> + <taxonomyParseRule></taxonomyParseRule> + <variationParseRule></variationParseRule> + <modificationParseRule></modificationParseRule> + <taxonomyId></taxonomyId> + </FastaFileInfo> + </fastaFiles> + <fastaFilesProteogenomics> + </fastaFilesProteogenomics> + <fastaFilesFirstSearch> + </fastaFilesFirstSearch> + <fixedSearchFolder></fixedSearchFolder> + <andromedaCacheSize>350000</andromedaCacheSize> + <advancedRatios>True</advancedRatios> + <pvalThres>0.005</pvalThres> + <neucodeRatioBasedQuantification>False</neucodeRatioBasedQuantification> + <neucodeStabilizeLargeRatios>False</neucodeStabilizeLargeRatios> + <rtShift>False</rtShift> + <separateLfq>False</separateLfq> + <lfqStabilizeLargeRatios>True</lfqStabilizeLargeRatios> + <lfqRequireMsms>True</lfqRequireMsms> + <decoyMode>revert</decoyMode> + <boxCarMode>all</boxCarMode> + <includeContaminants>True</includeContaminants> + <maxPeptideMass>4600</maxPeptideMass> + <epsilonMutationScore>True</epsilonMutationScore> + <mutatedPeptidesSeparately>True</mutatedPeptidesSeparately> + <proteogenomicPeptidesSeparately>True</proteogenomicPeptidesSeparately> + <minDeltaScoreUnmodifiedPeptides>0</minDeltaScoreUnmodifiedPeptides> + <minDeltaScoreModifiedPeptides>6</minDeltaScoreModifiedPeptides> + <minScoreUnmodifiedPeptides>0</minScoreUnmodifiedPeptides> + <minScoreModifiedPeptides>40</minScoreModifiedPeptides> + <secondPeptide>True</secondPeptide> + <matchBetweenRuns>False</matchBetweenRuns> + <matchUnidentifiedFeatures>False</matchUnidentifiedFeatures> + <matchBetweenRunsFdr>False</matchBetweenRunsFdr> + <dependentPeptides>False</dependentPeptides> + <dependentPeptideFdr>0</dependentPeptideFdr> + <dependentPeptideMassBin>0</dependentPeptideMassBin> + <dependentPeptidesBetweenRuns>False</dependentPeptidesBetweenRuns> + <dependentPeptidesWithinExperiment>False</dependentPeptidesWithinExperiment> + <dependentPeptidesWithinParameterGroup>False</dependentPeptidesWithinParameterGroup> + <dependentPeptidesRestrictFractions>False</dependentPeptidesRestrictFractions> + <dependentPeptidesFractionDifference>0</dependentPeptidesFractionDifference> + <msmsConnection>False</msmsConnection> + <ibaq>False</ibaq> + <top3>False</top3> + <independentEnzymes>False</independentEnzymes> + <useDeltaScore>False</useDeltaScore> + <splitProteinGroupsByTaxonomy>False</splitProteinGroupsByTaxonomy> + <taxonomyLevel>Species</taxonomyLevel> + <avalon>False</avalon> + <nModColumns>3</nModColumns> + <ibaqLogFit>False</ibaqLogFit> + <razorProteinFdr>True</razorProteinFdr> + <deNovoSequencing>False</deNovoSequencing> + <deNovoVarMods>True</deNovoVarMods> + <massDifferenceSearch>False</massDifferenceSearch> + <isotopeCalc>False</isotopeCalc> + <writePeptidesForSpectrumFile></writePeptidesForSpectrumFile> + <intensityPredictionsFile> + </intensityPredictionsFile> + <minPepLen>7</minPepLen> + <psmFdrCrosslink>0.01</psmFdrCrosslink> + <peptideFdr>0.01</peptideFdr> + <proteinFdr>0.01</proteinFdr> + <siteFdr>0.01</siteFdr> + <minPeptideLengthForUnspecificSearch>8</minPeptideLengthForUnspecificSearch> + <maxPeptideLengthForUnspecificSearch>25</maxPeptideLengthForUnspecificSearch> + <useNormRatiosForOccupancy>True</useNormRatiosForOccupancy> + <minPeptides>1</minPeptides> + <minRazorPeptides>1</minRazorPeptides> + <minUniquePeptides>0</minUniquePeptides> + <useCounterparts>False</useCounterparts> + <advancedSiteIntensities>True</advancedSiteIntensities> + <customProteinQuantification>False</customProteinQuantification> + <customProteinQuantificationFile></customProteinQuantificationFile> + <minRatioCount>2</minRatioCount> + <restrictProteinQuantification>True</restrictProteinQuantification> + <restrictMods> + <string>Oxidation (M)</string> + </restrictMods> + <matchingTimeWindow>0</matchingTimeWindow> + <alignmentTimeWindow>0</alignmentTimeWindow> + <numberOfCandidatesMultiplexedMsms>25</numberOfCandidatesMultiplexedMsms> + <numberOfCandidatesMsms>15</numberOfCandidatesMsms> + <compositionPrediction>0</compositionPrediction> + <quantMode>1</quantMode> + <massDifferenceMods> + </massDifferenceMods> + <mainSearchMaxCombinations>200</mainSearchMaxCombinations> + <writeMsScansTable>False</writeMsScansTable> + <writeMsmsScansTable>True</writeMsmsScansTable> + <writePasefMsmsScansTable>True</writePasefMsmsScansTable> + <writeAccumulatedPasefMsmsScansTable>True</writeAccumulatedPasefMsmsScansTable> + <writeMs3ScansTable>True</writeMs3ScansTable> + <writeAllPeptidesTable>True</writeAllPeptidesTable> + <writeMzRangeTable>True</writeMzRangeTable> + <writeMzTab>True</writeMzTab> + <disableMd5>False</disableMd5> + <cacheBinInds>True</cacheBinInds> + <etdIncludeB>False</etdIncludeB> + <complementaryTmtCollapseNplets>True</complementaryTmtCollapseNplets> + <stackPeaks>False</stackPeaks> + <ms2PrecursorShift>0</ms2PrecursorShift> + <complementaryIonPpm>20</complementaryIonPpm> + <variationParseRule></variationParseRule> + <variationMode>none</variationMode> + <useSeriesReporters>False</useSeriesReporters> + <name>session1</name> + <maxQuantVersion>1.6.3.4</maxQuantVersion> + <tempFolder></tempFolder> + <pluginFolder></pluginFolder> + <numThreads>1</numThreads> + <emailAddress></emailAddress> + <smtpHost></smtpHost> + <emailFromAddress></emailFromAddress> + <fixedCombinedFolder></fixedCombinedFolder> + <fullMinMz>-1.79589544172745E+308</fullMinMz> + <fullMaxMz>1.79589544172745E+308</fullMaxMz> + <sendEmail>False</sendEmail> + <ionCountIntensities>False</ionCountIntensities> + <verboseColumnHeaders>False</verboseColumnHeaders> + <calcPeakProperties>False</calcPeakProperties> + <showCentroidMassDifferences>False</showCentroidMassDifferences> + <showIsotopeMassDifferences>False</showIsotopeMassDifferences> + <useDotNetCore>False</useDotNetCore> + <filePaths> + <string>D:\shared\dglaetzer\maxquant_tool\test1\BSA_min_23.mzXML</string> + </filePaths> + <experiments> + <string>BSA_min_23.mzXML</string> + </experiments> + <fractions> + <short>32767</short> + </fractions> + <ptms> + <boolean>False</boolean> + </ptms> + <paramGroupIndices> + <int>0</int> + </paramGroupIndices> + <referenceChannel> + <string></string> + </referenceChannel> + <parameterGroups> + <parameterGroup> + <msInstrument>0</msInstrument> + <maxCharge>7</maxCharge> + <minPeakLen>2</minPeakLen> + <useMs1Centroids>False</useMs1Centroids> + <useMs2Centroids>False</useMs2Centroids> + <cutPeaks>True</cutPeaks> + <gapScans>1</gapScans> + <minTime>NaN</minTime> + <maxTime>NaN</maxTime> + <matchType>MatchFromAndTo</matchType> + <intensityDetermination>0</intensityDetermination> + <centroidMatchTol>8</centroidMatchTol> + <centroidMatchTolInPpm>True</centroidMatchTolInPpm> + <centroidHalfWidth>35</centroidHalfWidth> + <centroidHalfWidthInPpm>True</centroidHalfWidthInPpm> + <valleyFactor>1.4</valleyFactor> + <isotopeValleyFactor>1.2</isotopeValleyFactor> + <advancedPeakSplitting>False</advancedPeakSplitting> + <intensityThreshold>0</intensityThreshold> + <labelMods> + <string></string> + </labelMods> + <lcmsRunType>Standard</lcmsRunType> + <reQuantify>False</reQuantify> + <lfqMode>0</lfqMode> + <lfqSkipNorm>False</lfqSkipNorm> + <lfqMinEdgesPerNode>3</lfqMinEdgesPerNode> + <lfqAvEdgesPerNode>6</lfqAvEdgesPerNode> + <lfqMaxFeatures>100000</lfqMaxFeatures> + <neucodeMaxPpm>0</neucodeMaxPpm> + <neucodeResolution>0</neucodeResolution> + <neucodeResolutionInMda>False</neucodeResolutionInMda> + <neucodeInSilicoLowRes>False</neucodeInSilicoLowRes> + <fastLfq>True</fastLfq> + <lfqRestrictFeatures>False</lfqRestrictFeatures> + <lfqMinRatioCount>2</lfqMinRatioCount> + <maxLabeledAa>0</maxLabeledAa> + <maxNmods>5</maxNmods> + <maxMissedCleavages>1</maxMissedCleavages> + <multiplicity>1</multiplicity> + <enzymeMode>0</enzymeMode> + <complementaryReporterType>0</complementaryReporterType> + <reporterNormalization>0</reporterNormalization> + <neucodeIntensityMode>0</neucodeIntensityMode> + <fixedModifications> + <string>Carbamidomethyl (C)</string> + </fixedModifications> + <enzymes> + <string>Trypsin/P</string> + </enzymes> + <enzymesFirstSearch> + </enzymesFirstSearch> + <enzymeModeFirstSearch>0</enzymeModeFirstSearch> + <useEnzymeFirstSearch>False</useEnzymeFirstSearch> + <useVariableModificationsFirstSearch>False</useVariableModificationsFirstSearch> + <variableModifications> + <string>Oxidation (M)</string> + </variableModifications> + <useMultiModification>False</useMultiModification> + <multiModifications> + </multiModifications> + <isobaricLabels> + </isobaricLabels> + <neucodeLabels> + </neucodeLabels> + <variableModificationsFirstSearch> + </variableModificationsFirstSearch> + <hasAdditionalVariableModifications>False</hasAdditionalVariableModifications> + <additionalVariableModifications> + </additionalVariableModifications> + <additionalVariableModificationProteins> + </additionalVariableModificationProteins> + <doMassFiltering>True</doMassFiltering> + <firstSearchTol>20</firstSearchTol> + <mainSearchTol>4.5</mainSearchTol> + <searchTolInPpm>True</searchTolInPpm> + <isotopeMatchTol>2</isotopeMatchTol> + <isotopeMatchTolInPpm>True</isotopeMatchTolInPpm> + <isotopeTimeCorrelation>0.6</isotopeTimeCorrelation> + <theorIsotopeCorrelation>0.6</theorIsotopeCorrelation> + <checkMassDeficit>True</checkMassDeficit> + <recalibrationInPpm>True</recalibrationInPpm> + <intensityDependentCalibration>False</intensityDependentCalibration> + <minScoreForCalibration>70</minScoreForCalibration> + <matchLibraryFile>False</matchLibraryFile> + <libraryFile></libraryFile> + <matchLibraryMassTolPpm>0</matchLibraryMassTolPpm> + <matchLibraryTimeTolMin>0</matchLibraryTimeTolMin> + <matchLabelTimeTolMin>0</matchLabelTimeTolMin> + <reporterMassTolerance>NaN</reporterMassTolerance> + <reporterPif>NaN</reporterPif> + <filterPif>False</filterPif> + <reporterFraction>NaN</reporterFraction> + <reporterBasePeakRatio>NaN</reporterBasePeakRatio> + <timsHalfWidth>0</timsHalfWidth> + <timsStep>0</timsStep> + <timsResolution>0</timsResolution> + <timsMinMsmsIntensity>0</timsMinMsmsIntensity> + <timsRemovePrecursor>True</timsRemovePrecursor> + <timsIsobaricLabels>False</timsIsobaricLabels> + <timsCollapseMsms>True</timsCollapseMsms> + <crosslinkSearch>False</crosslinkSearch> + <crossLinker></crossLinker> + <minMatchXl>0</minMatchXl> + <minPairedPepLenXl>6</minPairedPepLenXl> + <crosslinkOnlyIntraProtein>False</crosslinkOnlyIntraProtein> + <crosslinkMaxMonoUnsaturated>0</crosslinkMaxMonoUnsaturated> + <crosslinkMaxMonoSaturated>0</crosslinkMaxMonoSaturated> + <crosslinkMaxDiUnsaturated>0</crosslinkMaxDiUnsaturated> + <crosslinkMaxDiSaturated>0</crosslinkMaxDiSaturated> + <crosslinkUseSeparateFasta>False</crosslinkUseSeparateFasta> + <crosslinkCleaveModifications> + </crosslinkCleaveModifications> + <crosslinkFastaFiles> + </crosslinkFastaFiles> + <crosslinkMode>PeptidesWithCleavedLinker</crosslinkMode> + <peakRefinement>False</peakRefinement> + <isobaricSumOverWindow>True</isobaricSumOverWindow> + </parameterGroup> + </parameterGroups> + <msmsParamsArray> + <msmsParams> + <Name>FTMS</Name> + <MatchTolerance>20</MatchTolerance> + <MatchToleranceInPpm>True</MatchToleranceInPpm> + <DeisotopeTolerance>7</DeisotopeTolerance> + <DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm> + <DeNovoTolerance>10</DeNovoTolerance> + <DeNovoToleranceInPpm>True</DeNovoToleranceInPpm> + <Deisotope>True</Deisotope> + <Topx>12</Topx> + <TopxInterval>100</TopxInterval> + <HigherCharges>True</HigherCharges> + <IncludeWater>True</IncludeWater> + <IncludeAmmonia>True</IncludeAmmonia> + <DependentLosses>True</DependentLosses> + <Recalibration>False</Recalibration> + </msmsParams> + <msmsParams> + <Name>ITMS</Name> + <MatchTolerance>0.5</MatchTolerance> + <MatchToleranceInPpm>False</MatchToleranceInPpm> + <DeisotopeTolerance>0.15</DeisotopeTolerance> + <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm> + <DeNovoTolerance>0.25</DeNovoTolerance> + <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm> + <Deisotope>False</Deisotope> + <Topx>8</Topx> + <TopxInterval>100</TopxInterval> + <HigherCharges>True</HigherCharges> + <IncludeWater>True</IncludeWater> + <IncludeAmmonia>True</IncludeAmmonia> + <DependentLosses>True</DependentLosses> + <Recalibration>False</Recalibration> + </msmsParams> + <msmsParams> + <Name>TOF</Name> + <MatchTolerance>40</MatchTolerance> + <MatchToleranceInPpm>True</MatchToleranceInPpm> + <DeisotopeTolerance>0.01</DeisotopeTolerance> + <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm> + <DeNovoTolerance>0.02</DeNovoTolerance> + <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm> + <Deisotope>True</Deisotope> + <Topx>10</Topx> + <TopxInterval>100</TopxInterval> + <HigherCharges>True</HigherCharges> + <IncludeWater>True</IncludeWater> + <IncludeAmmonia>True</IncludeAmmonia> + <DependentLosses>True</DependentLosses> + <Recalibration>False</Recalibration> + </msmsParams> + <msmsParams> + <Name>Unknown</Name> + <MatchTolerance>0.5</MatchTolerance> + <MatchToleranceInPpm>False</MatchToleranceInPpm> + <DeisotopeTolerance>0.15</DeisotopeTolerance> + <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm> + <DeNovoTolerance>0.25</DeNovoTolerance> + <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm> + <Deisotope>False</Deisotope> + <Topx>8</Topx> + <TopxInterval>100</TopxInterval> + <HigherCharges>True</HigherCharges> + <IncludeWater>True</IncludeWater> + <IncludeAmmonia>True</IncludeAmmonia> + <DependentLosses>True</DependentLosses> + <Recalibration>False</Recalibration> + </msmsParams> + </msmsParamsArray> + <fragmentationParamsArray> + <fragmentationParams> + <Name>CID</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + <fragmentationParams> + <Name>HCD</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + <fragmentationParams> + <Name>ETD</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + <fragmentationParams> + <Name>PQD</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + <fragmentationParams> + <Name>ETHCD</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + <fragmentationParams> + <Name>ETCID</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + <fragmentationParams> + <Name>UVPD</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + <fragmentationParams> + <Name>Unknown</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + </fragmentationParamsArray> +</MaxQuantParams>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/template.xml Sat Jul 20 05:01:05 2019 -0400 @@ -0,0 +1,428 @@ +<?xml version="1.0" encoding="utf-8"?> +<MaxQuantParams xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"> + <fastaFiles> + <FastaFileInfo> + <fastaFilePath></fastaFilePath> + <identifierParseRule>>(.*)</identifierParseRule> + <descriptionParseRule></descriptionParseRule> + <taxonomyParseRule></taxonomyParseRule> + <variationParseRule></variationParseRule> + <modificationParseRule></modificationParseRule> + <taxonomyId></taxonomyId> + </FastaFileInfo> + </fastaFiles> + <fastaFilesProteogenomics> + </fastaFilesProteogenomics> + <fastaFilesFirstSearch> + </fastaFilesFirstSearch> + <fixedSearchFolder></fixedSearchFolder> + <andromedaCacheSize>350000</andromedaCacheSize> + <advancedRatios>True</advancedRatios> + <pvalThres>0.005</pvalThres> + <neucodeRatioBasedQuantification>False</neucodeRatioBasedQuantification> + <neucodeStabilizeLargeRatios>False</neucodeStabilizeLargeRatios> + <rtShift>False</rtShift> + <separateLfq>False</separateLfq> + <lfqStabilizeLargeRatios>True</lfqStabilizeLargeRatios> + <lfqRequireMsms>True</lfqRequireMsms> + <decoyMode>revert</decoyMode> + <boxCarMode>all</boxCarMode> + <includeContaminants>True</includeContaminants> + <maxPeptideMass>4600</maxPeptideMass> + <epsilonMutationScore>True</epsilonMutationScore> + <mutatedPeptidesSeparately>True</mutatedPeptidesSeparately> + <proteogenomicPeptidesSeparately>True</proteogenomicPeptidesSeparately> + <minDeltaScoreUnmodifiedPeptides>0</minDeltaScoreUnmodifiedPeptides> + <minDeltaScoreModifiedPeptides>6</minDeltaScoreModifiedPeptides> + <minScoreUnmodifiedPeptides>0</minScoreUnmodifiedPeptides> + <minScoreModifiedPeptides>40</minScoreModifiedPeptides> + <secondPeptide>True</secondPeptide> + <matchBetweenRuns>False</matchBetweenRuns> + <matchUnidentifiedFeatures>False</matchUnidentifiedFeatures> + <matchBetweenRunsFdr>False</matchBetweenRunsFdr> + <dependentPeptides>False</dependentPeptides> + <dependentPeptideFdr>0</dependentPeptideFdr> + <dependentPeptideMassBin>0</dependentPeptideMassBin> + <dependentPeptidesBetweenRuns>False</dependentPeptidesBetweenRuns> + <dependentPeptidesWithinExperiment>False</dependentPeptidesWithinExperiment> + <dependentPeptidesWithinParameterGroup>False</dependentPeptidesWithinParameterGroup> + <dependentPeptidesRestrictFractions>False</dependentPeptidesRestrictFractions> + <dependentPeptidesFractionDifference>0</dependentPeptidesFractionDifference> + <msmsConnection>False</msmsConnection> + <ibaq>False</ibaq> + <top3>False</top3> + <independentEnzymes>False</independentEnzymes> + <useDeltaScore>False</useDeltaScore> + <splitProteinGroupsByTaxonomy>False</splitProteinGroupsByTaxonomy> + <taxonomyLevel>Species</taxonomyLevel> + <avalon>False</avalon> + <nModColumns>3</nModColumns> + <ibaqLogFit>False</ibaqLogFit> + <razorProteinFdr>True</razorProteinFdr> + <deNovoSequencing>False</deNovoSequencing> + <deNovoVarMods>True</deNovoVarMods> + <massDifferenceSearch>False</massDifferenceSearch> + <isotopeCalc>False</isotopeCalc> + <writePeptidesForSpectrumFile></writePeptidesForSpectrumFile> + <intensityPredictionsFile> + </intensityPredictionsFile> + <minPepLen>7</minPepLen> + <psmFdrCrosslink>0.01</psmFdrCrosslink> + <peptideFdr>0.01</peptideFdr> + <proteinFdr>0.01</proteinFdr> + <siteFdr>0.01</siteFdr> + <minPeptideLengthForUnspecificSearch>8</minPeptideLengthForUnspecificSearch> + <maxPeptideLengthForUnspecificSearch>25</maxPeptideLengthForUnspecificSearch> + <useNormRatiosForOccupancy>True</useNormRatiosForOccupancy> + <minPeptides>1</minPeptides> + <minRazorPeptides>1</minRazorPeptides> + <minUniquePeptides>0</minUniquePeptides> + <useCounterparts>False</useCounterparts> + <advancedSiteIntensities>True</advancedSiteIntensities> + <customProteinQuantification>False</customProteinQuantification> + <customProteinQuantificationFile></customProteinQuantificationFile> + <minRatioCount>2</minRatioCount> + <restrictProteinQuantification>True</restrictProteinQuantification> + <restrictMods> + <string>Oxidation (M)</string> + <string>Acetyl (Protein N-term)</string> + </restrictMods> + <matchingTimeWindow>0</matchingTimeWindow> + <alignmentTimeWindow>0</alignmentTimeWindow> + <numberOfCandidatesMultiplexedMsms>25</numberOfCandidatesMultiplexedMsms> + <numberOfCandidatesMsms>15</numberOfCandidatesMsms> + <compositionPrediction>0</compositionPrediction> + <quantMode>1</quantMode> + <massDifferenceMods> + </massDifferenceMods> + <mainSearchMaxCombinations>200</mainSearchMaxCombinations> + <writeMsScansTable>False</writeMsScansTable> + <writeMsmsScansTable>True</writeMsmsScansTable> + <writePasefMsmsScansTable>True</writePasefMsmsScansTable> + <writeAccumulatedPasefMsmsScansTable>True</writeAccumulatedPasefMsmsScansTable> + <writeMs3ScansTable>True</writeMs3ScansTable> + <writeAllPeptidesTable>True</writeAllPeptidesTable> + <writeMzRangeTable>True</writeMzRangeTable> + <writeMzTab>False</writeMzTab> + <disableMd5>False</disableMd5> + <cacheBinInds>True</cacheBinInds> + <etdIncludeB>False</etdIncludeB> + <complementaryTmtCollapseNplets>True</complementaryTmtCollapseNplets> + <stackPeaks>False</stackPeaks> + <ms2PrecursorShift>0</ms2PrecursorShift> + <complementaryIonPpm>20</complementaryIonPpm> + <variationParseRule></variationParseRule> + <variationMode>none</variationMode> + <useSeriesReporters>False</useSeriesReporters> + <name>templateSession</name> + <maxQuantVersion>1.6.3.4</maxQuantVersion> + <tempFolder></tempFolder> + <pluginFolder></pluginFolder> + <numThreads>1</numThreads> + <emailAddress></emailAddress> + <smtpHost></smtpHost> + <emailFromAddress></emailFromAddress> + <fixedCombinedFolder></fixedCombinedFolder> + <fullMinMz>-1.79769313486232E+308</fullMinMz> + <fullMaxMz>1.79769313486232E+308</fullMaxMz> + <sendEmail>False</sendEmail> + <ionCountIntensities>False</ionCountIntensities> + <verboseColumnHeaders>False</verboseColumnHeaders> + <calcPeakProperties>False</calcPeakProperties> + <showCentroidMassDifferences>False</showCentroidMassDifferences> + <showIsotopeMassDifferences>False</showIsotopeMassDifferences> + <useDotNetCore>False</useDotNetCore> + <filePaths> + <string>file.example.RAW</string> + </filePaths> + <experiments> + <string>experiment.example</string> + </experiments> + <fractions> + <short>32767</short> + </fractions> + <ptms> + <boolean>False</boolean> + </ptms> + <paramGroupIndices> + <int>0</int> + </paramGroupIndices> + <referenceChannel> + <string></string> + </referenceChannel> + <parameterGroups> + <parameterGroup> + <msInstrument>0</msInstrument> + <maxCharge>7</maxCharge> + <minPeakLen>2</minPeakLen> + <useMs1Centroids>False</useMs1Centroids> + <useMs2Centroids>False</useMs2Centroids> + <cutPeaks>True</cutPeaks> + <gapScans>1</gapScans> + <minTime>NaN</minTime> + <maxTime>NaN</maxTime> + <matchType>MatchFromAndTo</matchType> + <intensityDetermination>0</intensityDetermination> + <centroidMatchTol>8</centroidMatchTol> + <centroidMatchTolInPpm>True</centroidMatchTolInPpm> + <centroidHalfWidth>35</centroidHalfWidth> + <centroidHalfWidthInPpm>True</centroidHalfWidthInPpm> + <valleyFactor>1.4</valleyFactor> + <isotopeValleyFactor>1.2</isotopeValleyFactor> + <advancedPeakSplitting>False</advancedPeakSplitting> + <intensityThreshold>0</intensityThreshold> + <labelMods> + <string></string> + </labelMods> + <lcmsRunType>Standard</lcmsRunType> + <reQuantify>False</reQuantify> + <lfqMode>0</lfqMode> + <lfqSkipNorm>False</lfqSkipNorm> + <lfqMinEdgesPerNode>3</lfqMinEdgesPerNode> + <lfqAvEdgesPerNode>6</lfqAvEdgesPerNode> + <lfqMaxFeatures>100000</lfqMaxFeatures> + <neucodeMaxPpm>0</neucodeMaxPpm> + <neucodeResolution>0</neucodeResolution> + <neucodeResolutionInMda>False</neucodeResolutionInMda> + <neucodeInSilicoLowRes>False</neucodeInSilicoLowRes> + <fastLfq>True</fastLfq> + <lfqRestrictFeatures>False</lfqRestrictFeatures> + <lfqMinRatioCount>2</lfqMinRatioCount> + <maxLabeledAa>0</maxLabeledAa> + <maxNmods>5</maxNmods> + <maxMissedCleavages>2</maxMissedCleavages> + <multiplicity>1</multiplicity> + <enzymeMode>0</enzymeMode> + <complementaryReporterType>0</complementaryReporterType> + <reporterNormalization>0</reporterNormalization> + <neucodeIntensityMode>0</neucodeIntensityMode> + <fixedModifications> + <string>Carbamidomethyl (C)</string> + </fixedModifications> + <enzymes> + <string>Trypsin/P</string> + </enzymes> + <enzymesFirstSearch> + </enzymesFirstSearch> + <enzymeModeFirstSearch>0</enzymeModeFirstSearch> + <useEnzymeFirstSearch>False</useEnzymeFirstSearch> + <useVariableModificationsFirstSearch>False</useVariableModificationsFirstSearch> + <variableModifications> + <string>Oxidation (M)</string> + <string>Acetyl (Protein N-term)</string> + </variableModifications> + <useMultiModification>False</useMultiModification> + <multiModifications> + </multiModifications> + <isobaricLabels> + </isobaricLabels> + <neucodeLabels> + </neucodeLabels> + <variableModificationsFirstSearch> + </variableModificationsFirstSearch> + <hasAdditionalVariableModifications>False</hasAdditionalVariableModifications> + <additionalVariableModifications> + </additionalVariableModifications> + <additionalVariableModificationProteins> + </additionalVariableModificationProteins> + <doMassFiltering>True</doMassFiltering> + <firstSearchTol>20</firstSearchTol> + <mainSearchTol>4.5</mainSearchTol> + <searchTolInPpm>True</searchTolInPpm> + <isotopeMatchTol>2</isotopeMatchTol> + <isotopeMatchTolInPpm>True</isotopeMatchTolInPpm> + <isotopeTimeCorrelation>0.6</isotopeTimeCorrelation> + <theorIsotopeCorrelation>0.6</theorIsotopeCorrelation> + <checkMassDeficit>True</checkMassDeficit> + <recalibrationInPpm>True</recalibrationInPpm> + <intensityDependentCalibration>False</intensityDependentCalibration> + <minScoreForCalibration>70</minScoreForCalibration> + <matchLibraryFile>False</matchLibraryFile> + <libraryFile></libraryFile> + <matchLibraryMassTolPpm>0</matchLibraryMassTolPpm> + <matchLibraryTimeTolMin>0</matchLibraryTimeTolMin> + <matchLabelTimeTolMin>0</matchLabelTimeTolMin> + <reporterMassTolerance>NaN</reporterMassTolerance> + <reporterPif>NaN</reporterPif> + <filterPif>False</filterPif> + <reporterFraction>NaN</reporterFraction> + <reporterBasePeakRatio>NaN</reporterBasePeakRatio> + <timsHalfWidth>0</timsHalfWidth> + <timsStep>0</timsStep> + <timsResolution>0</timsResolution> + <timsMinMsmsIntensity>0</timsMinMsmsIntensity> + <timsRemovePrecursor>True</timsRemovePrecursor> + <timsIsobaricLabels>False</timsIsobaricLabels> + <timsCollapseMsms>True</timsCollapseMsms> + <crosslinkSearch>False</crosslinkSearch> + <crossLinker></crossLinker> + <minMatchXl>0</minMatchXl> + <minPairedPepLenXl>6</minPairedPepLenXl> + <crosslinkOnlyIntraProtein>False</crosslinkOnlyIntraProtein> + <crosslinkMaxMonoUnsaturated>0</crosslinkMaxMonoUnsaturated> + <crosslinkMaxMonoSaturated>0</crosslinkMaxMonoSaturated> + <crosslinkMaxDiUnsaturated>0</crosslinkMaxDiUnsaturated> + <crosslinkMaxDiSaturated>0</crosslinkMaxDiSaturated> + <crosslinkUseSeparateFasta>False</crosslinkUseSeparateFasta> + <crosslinkCleaveModifications> + </crosslinkCleaveModifications> + <crosslinkFastaFiles> + </crosslinkFastaFiles> + <crosslinkMode>PeptidesWithCleavedLinker</crosslinkMode> + <peakRefinement>False</peakRefinement> + <isobaricSumOverWindow>True</isobaricSumOverWindow> + </parameterGroup> + </parameterGroups> + <msmsParamsArray> + <msmsParams> + <Name>FTMS</Name> + <MatchTolerance>20</MatchTolerance> + <MatchToleranceInPpm>True</MatchToleranceInPpm> + <DeisotopeTolerance>7</DeisotopeTolerance> + <DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm> + <DeNovoTolerance>10</DeNovoTolerance> + <DeNovoToleranceInPpm>True</DeNovoToleranceInPpm> + <Deisotope>True</Deisotope> + <Topx>12</Topx> + <TopxInterval>100</TopxInterval> + <HigherCharges>True</HigherCharges> + <IncludeWater>True</IncludeWater> + <IncludeAmmonia>True</IncludeAmmonia> + <DependentLosses>True</DependentLosses> + <Recalibration>False</Recalibration> + </msmsParams> + <msmsParams> + <Name>ITMS</Name> + <MatchTolerance>0.5</MatchTolerance> + <MatchToleranceInPpm>False</MatchToleranceInPpm> + <DeisotopeTolerance>0.15</DeisotopeTolerance> + <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm> + <DeNovoTolerance>0.25</DeNovoTolerance> + <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm> + <Deisotope>False</Deisotope> + <Topx>8</Topx> + <TopxInterval>100</TopxInterval> + <HigherCharges>True</HigherCharges> + <IncludeWater>True</IncludeWater> + <IncludeAmmonia>True</IncludeAmmonia> + <DependentLosses>True</DependentLosses> + <Recalibration>False</Recalibration> + </msmsParams> + <msmsParams> + <Name>TOF</Name> + <MatchTolerance>40</MatchTolerance> + <MatchToleranceInPpm>True</MatchToleranceInPpm> + <DeisotopeTolerance>0.01</DeisotopeTolerance> + <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm> + <DeNovoTolerance>0.02</DeNovoTolerance> + <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm> + <Deisotope>True</Deisotope> + <Topx>10</Topx> + <TopxInterval>100</TopxInterval> + <HigherCharges>True</HigherCharges> + <IncludeWater>True</IncludeWater> + <IncludeAmmonia>True</IncludeAmmonia> + <DependentLosses>True</DependentLosses> + <Recalibration>False</Recalibration> + </msmsParams> + <msmsParams> + <Name>Unknown</Name> + <MatchTolerance>0.5</MatchTolerance> + <MatchToleranceInPpm>False</MatchToleranceInPpm> + <DeisotopeTolerance>0.15</DeisotopeTolerance> + <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm> + <DeNovoTolerance>0.25</DeNovoTolerance> + <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm> + <Deisotope>False</Deisotope> + <Topx>8</Topx> + <TopxInterval>100</TopxInterval> + <HigherCharges>True</HigherCharges> + <IncludeWater>True</IncludeWater> + <IncludeAmmonia>True</IncludeAmmonia> + <DependentLosses>True</DependentLosses> + <Recalibration>False</Recalibration> + </msmsParams> + </msmsParamsArray> + <fragmentationParamsArray> + <fragmentationParams> + <Name>CID</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + <fragmentationParams> + <Name>HCD</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + <fragmentationParams> + <Name>ETD</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + <fragmentationParams> + <Name>PQD</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + <fragmentationParams> + <Name>ETHCD</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + <fragmentationParams> + <Name>ETCID</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + <fragmentationParams> + <Name>UVPD</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + <fragmentationParams> + <Name>Unknown</Name> + <Connected>False</Connected> + <ConnectedScore0>1</ConnectedScore0> + <ConnectedScore1>1</ConnectedScore1> + <ConnectedScore2>1</ConnectedScore2> + <InternalFragments>False</InternalFragments> + <InternalFragmentWeight>1</InternalFragmentWeight> + <InternalFragmentAas>KRH</InternalFragmentAas> + </fragmentationParams> + </fragmentationParamsArray> +</MaxQuantParams>
--- a/unimod.xml Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,15140 +0,0 @@ -<?xml version="1.0" encoding="utf-8"?> -<!--Copyright (C) 2002-2006 Unimod; this information may be copied, distributed and/or--> -<!--modified under certain conditions, but it comes WITHOUT ANY WARRANTY; see the--> -<!--accompanying Design Science License for more details--> -<umod:unimod xmlns:umod="http://www.unimod.org/xmlns/schema/unimod_2" - xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" - xsi:schemaLocation="http://www.unimod.org/xmlns/schema/unimod_2 http://www.unimod.org/xmlns/schema/unimod_2/unimod_2.xsd" - majorVersion="2" - minorVersion="0"> - <umod:elements> - <umod:elem title="H" full_name="Hydrogen" avge_mass="1.00794" mono_mass="1.007825035"/> - <umod:elem title="2H" full_name="Deuterium" avge_mass="2.014101779" - mono_mass="2.014101779"/> - <umod:elem title="Li" full_name="Lithium" avge_mass="6.941" mono_mass="7.016003"/> - <umod:elem title="C" full_name="Carbon" avge_mass="12.0107" mono_mass="12"/> - <umod:elem title="13C" full_name="Carbon13" avge_mass="13.00335483" - mono_mass="13.00335483"/> - <umod:elem title="N" full_name="Nitrogen" avge_mass="14.0067" mono_mass="14.003074"/> - <umod:elem title="15N" full_name="Nitrogen15" avge_mass="15.00010897" - mono_mass="15.00010897"/> - <umod:elem title="O" full_name="Oxygen" avge_mass="15.9994" mono_mass="15.99491463"/> - <umod:elem title="18O" full_name="Oxygen18" avge_mass="17.9991603" mono_mass="17.9991603"/> - <umod:elem title="F" full_name="Fluorine" avge_mass="18.9984032" mono_mass="18.99840322"/> - <umod:elem title="Na" full_name="Sodium" avge_mass="22.98977" mono_mass="22.9897677"/> - <umod:elem title="P" full_name="Phosphorous" avge_mass="30.973761" mono_mass="30.973762"/> - <umod:elem title="S" full_name="Sulfur" avge_mass="32.065" mono_mass="31.9720707"/> - <umod:elem title="Cl" full_name="Chlorine" avge_mass="35.453" mono_mass="34.96885272"/> - <umod:elem title="K" full_name="Potassium" avge_mass="39.0983" mono_mass="38.9637074"/> - <umod:elem title="Ca" full_name="Calcium" avge_mass="40.078" mono_mass="39.9625906"/> - <umod:elem title="Fe" full_name="Iron" avge_mass="55.845" mono_mass="55.9349393"/> - <umod:elem title="Ni" full_name="Nickel" avge_mass="58.6934" mono_mass="57.9353462"/> - <umod:elem title="Zn" full_name="Zinc" avge_mass="65.409" mono_mass="63.9291448"/> - <umod:elem title="Se" full_name="Selenium" avge_mass="78.96" mono_mass="79.9165196"/> - <umod:elem title="Br" full_name="Bromine" avge_mass="79.904" mono_mass="78.9183361"/> - <umod:elem title="Ag" full_name="Silver" avge_mass="107.8682" mono_mass="106.905092"/> - <umod:elem title="Hg" full_name="Mercury" avge_mass="200.59" mono_mass="201.970617"/> - <umod:elem title="Au" full_name="Gold" avge_mass="196.96655" mono_mass="196.966543"/> - <umod:elem title="I" full_name="Iodine" avge_mass="126.90447" mono_mass="126.904473"/> - <umod:elem title="Mo" full_name="Molybdenum" avge_mass="95.94" mono_mass="97.9054073"/> - <umod:elem title="Cu" full_name="Copper" avge_mass="63.546" mono_mass="62.9295989"/> - <umod:elem title="e" full_name="electron" avge_mass="0.000549" mono_mass="0.000549"/> - <umod:elem title="B" full_name="Boron" avge_mass="10.811" mono_mass="11.0093055"/> - <umod:elem title="As" full_name="Arsenic" avge_mass="74.9215942" mono_mass="74.9215942"/> - </umod:elements> - <umod:modifications> - <umod:mod title="Acetyl" full_name="Acetylation" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2008-02-15 05:20:02" - approved="1" - record_id="1"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Post-translational" - spec_group="6"/> - <umod:specificity hidden="0" site="N-term" position="Protein N-term" - classification="Post-translational" - spec_group="5"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational" - spec_group="4"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="3"/> - <umod:specificity hidden="0" site="N-term" position="Any N-term" classification="Multiple" - spec_group="2"> - <umod:misc_notes>GIST acetyl light</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="K" position="Anywhere" classification="Multiple" - spec_group="1"> - <umod:misc_notes>PT and GIST acetyl light</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="7"> - <umod:misc_notes>O-acetyl</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Chemical derivative" - spec_group="8"/> - <umod:delta mono_mass="42.010565" avge_mass="42.0367" composition="H(2) C(2) O"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>14730666</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15350136</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0055</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>IonSource acetylation tutorial</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.ionsource.com/Card/acetylation/acetylation.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Chemical Reagents for Protein Modification 3rd edition, pp 215-221, Roger L. Lundblad, CRC Press, New York, N.Y., 2005</umod:text> - <umod:source>Book</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11999733</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0043</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0044</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0354</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0045</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0056</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0046</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0051</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0052</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0364</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0041</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0049</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0048</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0047</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12175151</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11857757</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0042</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0050</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0053</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0054</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>ACET</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>PNAS 2006 103: 18574-18579</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://dx.doi.org/10.1073/pnas.0608995103</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Amidated" full_name="Amidation" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-14 08:10:18" - approved="1" - record_id="2"> - <umod:specificity hidden="0" site="C-term" position="Protein C-term" - classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="0" site="C-term" position="Any C-term" classification="Artefact" - spec_group="2"/> - <umod:delta mono_mass="-0.984016" avge_mass="-0.9848" composition="H N O(-1)"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0100</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0099</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0098</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0097</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0096</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0095</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0094</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0093</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0092</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0091</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0090</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0089</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0081</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0082</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0083</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0084</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0085</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0086</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0087</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0088</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AMID</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Biotin" full_name="Biotinylation" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 15:27:08" - approved="1" - record_id="3"> - <umod:specificity hidden="0" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="0" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="226.077598" avge_mass="226.2954" - composition="H(14) C(10) N(2) O(2) S"> - <umod:element symbol="H" number="14"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0117</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>BIOT</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Carbamidomethyl" full_name="Iodoacetamide derivative" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 10:18:27" - approved="1" - record_id="4"> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Artefact" - spec_group="5"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Artefact" - spec_group="4"/> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Artefact" - spec_group="3"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Artefact" - spec_group="2"/> - <umod:specificity hidden="0" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Artefact" - spec_group="6"/> - <umod:delta mono_mass="57.021464" avge_mass="57.0513" composition="H(3) C(2) N O"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>Carboxyamidomethylation</umod:alt_name> - <umod:xref> - <umod:text>Creasy, D. M., Cottrell, J. S., Proteomics 2 1426-34 (2002)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11510821</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Boja, E. S., Fales, H. M., Anal. Chem. 73 3576-82 (2001)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12422359</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Carbamyl" full_name="Carbamylation" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-11-14 11:09:40" - approved="0" - record_id="5"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Artefact" - spec_group="4"/> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Artefact" - spec_group="3"/> - <umod:specificity hidden="0" site="N-term" position="Any N-term" classification="Multiple" - spec_group="2"/> - <umod:specificity hidden="0" site="K" position="Anywhere" classification="Multiple" - spec_group="1"/> - <umod:specificity hidden="1" site="M" position="Anywhere" classification="Artefact" - spec_group="5"/> - <umod:delta mono_mass="43.005814" avge_mass="43.0247" composition="H C N O"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0343</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12203680</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0332</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>IonSource carbamylation tutorial</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.ionsource.com/Card/carbam/carbam.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>10978403</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Carbamylation is an irreversible process of non-enzymatic modification of proteins by the breakdown products of urea isocyanic acid reacts with the N-term of a proteine or side chains of lysine and arginine residues</umod:misc_notes> - </umod:mod> - <umod:mod title="Carboxymethyl" full_name="Iodoacetic acid derivative" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 10:21:50" - approved="1" - record_id="6"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Artefact" - spec_group="3"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Artefact" - spec_group="2"/> - <umod:specificity hidden="0" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative" - spec_group="4"> - <umod:misc_notes>Hydroxylethanone</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="58.005479" avge_mass="58.0361" composition="H(2) C(2) O(2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>Carboxymethylation</umod:alt_name> - </umod:mod> - <umod:mod title="Deamidated" full_name="Deamidation" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-11-14 11:11:50" - approved="0" - record_id="7"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Post-translational" - spec_group="2"> - <umod:misc_notes>Protein which is post-translationally modified by the de-imination of one or more arginine residues; Peptidylarginine deiminase (PAD) converts protein bound to citrulline</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="N" position="Anywhere" classification="Artefact" - spec_group="1"> - <umod:misc_notes>Convertion of glycosylated asparagine residues upon deglycosylation with PGNase F in H2O</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="Q" position="Anywhere" classification="Artefact" - spec_group="1"/> - <umod:specificity hidden="1" site="F" position="Protein N-term" - classification="Post-translational" - spec_group="3"/> - <umod:delta mono_mass="0.984016" avge_mass="0.9848" composition="H(-1) N(-1) O"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>phenyllactyl from N-term Phe</umod:alt_name> - <umod:alt_name>Citrullination</umod:alt_name> - <umod:xref> - <umod:text>IonSource tutorial</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.ionsource.com/Card/Deamidation/deamidation.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>CITR</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>FLAC</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0128</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0214</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>6838602</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15700232</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>DEAM</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="ICAT-G" full_name="Gygi ICAT(TM) d0" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 17:00:43" - approved="1" - record_id="8"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="486.251206" avge_mass="486.6253" - composition="H(38) C(22) N(4) O(6) S"> - <umod:element symbol="H" number="38"/> - <umod:element symbol="C" number="22"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>10504701</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Gygi S.P., et. al. Nat Biotechnol. 1999 Oct;17(10):994-9</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="ICAT-G:2H(8)" full_name="Gygi ICAT(TM) d8" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 17:01:35" - approved="1" - record_id="9"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="494.301420" avge_mass="494.6746" - composition="H(30) 2H(8) C(22) N(4) O(6) S"> - <umod:element symbol="H" number="30"/> - <umod:element symbol="2H" number="8"/> - <umod:element symbol="C" number="22"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>10504701</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Gygi S.P., et. al. Nat Biotechnol. 1999 Oct;17(10):994-9</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Met->Hse" full_name="Homoserine" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-13 15:40:08" - approved="1" - record_id="10"> - <umod:specificity hidden="0" site="M" position="Any C-term" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="-29.992806" avge_mass="-30.0922" composition="H(-2) C(-1) O S(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - <umod:misc_notes>Cyanogen bromide (CNBr) cleavage converts the C-term Met to either homoserine or homoserine lactone, depending on pH.</umod:misc_notes> - </umod:mod> - <umod:mod title="Met->Hsl" full_name="Homoserine lactone" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-11-14 11:10:15" - approved="0" - record_id="11"> - <umod:specificity hidden="0" site="M" position="Any C-term" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="-48.003371" avge_mass="-48.1075" composition="H(-4) C(-1) S(-1)"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>Donald Voet, Judith G. Voet (1995): Biochemistry; p 115</umod:text> - <umod:source>Book</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Cyanogen bromide (CNBr) cleavage converts the C-term Met to either homoserine or homoserine lactone, depending on pH.</umod:misc_notes> - </umod:mod> - <umod:mod title="ICAT-D:2H(8)" full_name="Applied Biosystems original ICAT(TM) d8" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 16:56:23" - approved="1" - record_id="12"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="450.275205" avge_mass="450.6221" - composition="H(26) 2H(8) C(20) N(4) O(5) S"> - <umod:element symbol="H" number="26"/> - <umod:element symbol="2H" number="8"/> - <umod:element symbol="C" number="20"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:Ignore mono_mass="227.085423" avge_mass="227.3033" - composition="H(15) C(10) N(2) O(2) S "> - <umod:element symbol="H" number="15"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:Ignore> - <umod:Ignore mono_mass="288.16838" avge_mass="288.4223" - composition="H(18) 2H(4) C(13) N(3) O(2) S "> - <umod:element symbol="H" number="18"/> - <umod:element symbol="2H" number="4"/> - <umod:element symbol="C" number="13"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:Ignore> - <umod:Ignore mono_mass="332.194594" avge_mass="332.4749" - composition="H(22) 2H(4) C(15) N(3) O(3) S "> - <umod:element symbol="H" number="22"/> - <umod:element symbol="2H" number="4"/> - <umod:element symbol="C" number="15"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:Ignore> - <umod:Ignore mono_mass="411.288115" avge_mass="411.6092" - composition="H(27) 2H(8) C(18) N(4) O(4) S "> - <umod:element symbol="H" number="27"/> - <umod:element symbol="2H" number="8"/> - <umod:element symbol="C" number="18"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="S" number="1"/> - </umod:Ignore> - <umod:Ignore mono_mass="485.270751" avge_mass="485.7109" - composition="H(29) 2H(8) C(20) N(4) O(5) S(2) "> - <umod:element symbol="H" number="29"/> - <umod:element symbol="2H" number="8"/> - <umod:element symbol="C" number="20"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="S" number="2"/> - </umod:Ignore> - <umod:Ignore mono_mass="509.270751" avge_mass="509.7323" - composition="H(29) 2H(8) C(22) N(4) O(5) S(2) "> - <umod:element symbol="H" number="29"/> - <umod:element symbol="2H" number="8"/> - <umod:element symbol="C" number="22"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="S" number="2"/> - </umod:Ignore> - <umod:xref> - <umod:text>Structure</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.chemsoc.org/exemplarchem/entries/2002/proteomics/images/icat_reagent.gif</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Molecular & Cellular Proteomics 2:428-442, 2003</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://www.mcponline.org/cgi/content/full/2/7/428</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="ICAT-D" full_name="Applied Biosystems original ICAT(TM) d0" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 16:53:48" - approved="1" - record_id="13"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="442.224991" avge_mass="442.5728" - composition="H(34) C(20) N(4) O(5) S"> - <umod:element symbol="H" number="34"/> - <umod:element symbol="C" number="20"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:Ignore mono_mass="227.085423" avge_mass="227.3033" - composition="H(15) C(10) N(2) O(2) S "> - <umod:element symbol="H" number="15"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:Ignore> - <umod:Ignore mono_mass="284.143273" avge_mass="284.3977" - composition="H(22) C(13) N(3) O(2) S "> - <umod:element symbol="H" number="22"/> - <umod:element symbol="C" number="13"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:Ignore> - <umod:Ignore mono_mass="328.169488" avge_mass="328.4502" - composition="H(26) C(15) N(3) O(3) S "> - <umod:element symbol="H" number="26"/> - <umod:element symbol="C" number="15"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:Ignore> - <umod:Ignore mono_mass="403.237901" avge_mass="403.5599" - composition="H(35) C(18) N(4) O(4) S "> - <umod:element symbol="H" number="35"/> - <umod:element symbol="C" number="18"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="S" number="1"/> - </umod:Ignore> - <umod:Ignore mono_mass="477.220537" avge_mass="477.6616" - composition="H(37) C(20) N(4) O(5) S(2) "> - <umod:element symbol="H" number="37"/> - <umod:element symbol="C" number="20"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="S" number="2"/> - </umod:Ignore> - <umod:Ignore mono_mass="501.220537" avge_mass="501.683" - composition="H(37) C(22) N(4) O(5) S(2) "> - <umod:element symbol="H" number="37"/> - <umod:element symbol="C" number="22"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="S" number="2"/> - </umod:Ignore> - <umod:xref> - <umod:text>Structure</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.chemsoc.org/exemplarchem/entries/2002/proteomics/images/icat_reagent.gif</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Molecular & Cellular Proteomics 2:428-442, 2003</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://www.mcponline.org/cgi/content/full/2/7/428</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="NIPCAM" full_name="N-isopropylcarboxamidomethyl" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 12:39:14" - approved="1" - record_id="17"> - <umod:specificity hidden="0" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="99.068414" avge_mass="99.1311" composition="H(9) C(5) N O"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>Dimethylacrylamide, DMA</umod:alt_name> - <umod:xref> - <umod:text>Krutzsch and Inman, Analytical Biochemistry, 209, 109-116, (1993)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Galvani et.al. (2000) Electrophoresis vol 22 p2046-p2074</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>8465942</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11465505</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="PEO-Iodoacetyl-LC-Biotin" - full_name="Biotinyl-iodoacetamidyl-3,6-dioxaoctanediamine" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-11-14 11:40:00" - approved="0" - record_id="20"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="414.193691" avge_mass="414.5196" - composition="H(30) C(18) N(4) O(5) S"> - <umod:element symbol="H" number="30"/> - <umod:element symbol="C" number="18"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>Pierce EZ-Link PEO-Iodoacetyl Biotin</umod:alt_name> - <umod:xref> - <umod:text>12038753</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>J. Biol. Chem., Vol. 278, Issue 7, 4500-4509, February 14, 2003</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://www.jbc.org/cgi/content/full/278/7/4500#F1</umod:url> - </umod:xref> - <umod:xref> - <umod:text>15253424</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Phospho" full_name="Phosphorylation" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 12:11:24" - approved="1" - record_id="21"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Post-translational" - spec_group="6"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="5"> - <umod:misc_notes>Rare</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Post-translational" - spec_group="3"> - <umod:misc_notes>Rare</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="Y" position="Anywhere" classification="Post-translational" - spec_group="2"> - <umod:misc_notes>Usually don't see beta elimination of phosphate</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational" - spec_group="4"> - <umod:misc_notes>Rare</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="T" position="Anywhere" classification="Post-translational" - spec_group="1"> - <umod:NeutralLoss mono_mass="97.976896" avge_mass="97.9952" flag="false" - composition="H(3) O(4) P"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="P" number="1"/> - </umod:NeutralLoss> - <umod:NeutralLoss mono_mass="0.000000" avge_mass="0.0000" flag="false" composition="0"/> - </umod:specificity> - <umod:specificity hidden="0" site="S" position="Anywhere" classification="Post-translational" - spec_group="1"> - <umod:NeutralLoss mono_mass="0.000000" avge_mass="0.0000" flag="false" composition="0"/> - <umod:NeutralLoss mono_mass="97.976896" avge_mass="97.9952" flag="false" - composition="H(3) O(4) P"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="P" number="1"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:delta mono_mass="79.966331" avge_mass="79.9799" composition="H O(3) P"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>IonSource</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.ionsource.com/Card/phos/phos.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>AA0037</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0033</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0038</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0039</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0222</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>PHOS</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0034</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0036</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0035</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Protein which is posttranslationally modified by the attachment of at least one phosphate group usually on serine, threonine or tyrosine residues, but also on aspartic acid or histidine residues.</umod:misc_notes> - </umod:mod> - <umod:mod title="Dehydrated" full_name="Dehydration" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-11-14 11:05:47" - approved="0" - record_id="23"> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Chemical derivative" - spec_group="6"/> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Post-translational" - spec_group="5"> - <umod:misc_notes>beta-elimination</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Post-translational" - spec_group="4"> - <umod:misc_notes>beta-elimination</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational" - spec_group="3"> - <umod:misc_notes>beta-elimination</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="N" position="Protein C-term" - classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="Q" position="Protein C-term" - classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="0" site="C" position="Any N-term" classification="Artefact" - spec_group="7"> - <umod:misc_notes>Pyro-carboxymethyl as a delta from Carboxymethyl-Cys</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="-18.010565" avge_mass="-18.0153" composition="H(-2) O(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="O" number="-1"/> - </umod:delta> - <umod:alt_name>didehydroalanine</umod:alt_name> - <umod:alt_name>C-terminal imide</umod:alt_name> - <umod:alt_name>Prompt loss of phosphate from phosphorylated residue</umod:alt_name> - <umod:alt_name>D-Succinimide</umod:alt_name> - <umod:xref> - <umod:text>DHAS</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0303</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0302</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0181</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0182</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>DHB</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Propionamide" full_name="Acrylamide adduct" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 10:35:51" - approved="1" - record_id="24"> - <umod:specificity hidden="0" site="C" position="Anywhere" classification="Artefact" - spec_group="1"/> - <umod:delta mono_mass="71.037114" avge_mass="71.0779" composition="H(5) C(3) N O"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Pyridylacetyl" full_name="pyridylacetyl" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 12:47:43" - approved="1" - record_id="25"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="119.037114" avge_mass="119.1207" composition="H(5) C(7) N O"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>9276974</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Pyro-carbamidomethyl" - full_name="S-carbamoylmethylcysteine cyclization (N-terminus)" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-11-14 11:05:25" - approved="0" - record_id="26"> - <umod:specificity hidden="0" site="C" position="Any N-term" classification="Artefact" - spec_group="1"/> - <umod:delta mono_mass="39.994915" avge_mass="40.0208" composition="C(2) O"> - <umod:element symbol="C" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>Carboxymethyl-Cys cyclization (N-terminus)</umod:alt_name> - <umod:alt_name>Carbamidomethyl-Cys cyclization (N-terminus)</umod:alt_name> - <umod:xref> - <umod:text>12643538</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>J. Proteome Res. 1, 181-187 (2002)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Cyclisation of N-term Carbamidomethyl-Cys or Carboxymethyl-Cys. The delta is relative to Cys. For a delta relative to alkylated Cys, see Ammonia-loss and Dehydrated.</umod:misc_notes> - </umod:mod> - <umod:mod title="Glu->pyro-Glu" full_name="Pyro-glu from E" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2008-06-05 13:54:56" - approved="1" - record_id="27"> - <umod:specificity hidden="0" site="E" position="Any N-term" classification="Artefact" - spec_group="1"/> - <umod:delta mono_mass="-18.010565" avge_mass="-18.0153" composition="H(-2) O(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="O" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0031</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Miller et.al. Arch. Biochem. Biophy. (1993) 301, 41-52.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>8442665</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>PYRE</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Gln->pyro-Glu" full_name="Pyro-glu from Q" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-13 17:06:57" - approved="1" - record_id="28"> - <umod:specificity hidden="0" site="Q" position="Any N-term" classification="Artefact" - spec_group="1"/> - <umod:delta mono_mass="-17.026549" avge_mass="-17.0305" composition="H(-3) N(-1)"> - <umod:element symbol="H" number="-3"/> - <umod:element symbol="N" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0031</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>PYRR</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="SMA" full_name="N-Succinimidyl-3-morpholine acetate" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-11-14 11:41:18" - approved="1" - record_id="29"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="127.063329" avge_mass="127.1412" composition="H(9) C(6) N O(2)"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>10446193</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Sherman, N. E., Yates, N. A., Shabanowitz, J., Hunt, D. F., Jeffery, W. A., Bartlet-Jones, M., and Pappin, D. J. C. (1995) Proceedings of the 43rd ASMS Conference on Mass Spectrometry and Allied Topics, May 21-26, 1995, Atlanta, GA</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Cation:Na" full_name="Sodium adduct" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-14 19:43:17" - approved="1" - record_id="30"> - <umod:specificity hidden="0" site="D" position="Anywhere" classification="Artefact" - spec_group="2"/> - <umod:specificity hidden="0" site="C-term" position="Any C-term" classification="Artefact" - spec_group="1"/> - <umod:specificity hidden="0" site="E" position="Anywhere" classification="Artefact" - spec_group="2"/> - <umod:delta mono_mass="21.981943" avge_mass="21.9818" composition="H(-1) Na"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="Na" number="1"/> - </umod:delta> - <umod:misc_notes>Proton replaced by sodium cation</umod:misc_notes> - </umod:mod> - <umod:mod title="Pyridylethyl" full_name="S-pyridylethylation" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 12:43:38" - approved="1" - record_id="31"> - <umod:specificity hidden="0" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="105.057849" avge_mass="105.1372" composition="H(7) C(7) N"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>11760118</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Methyl" full_name="Methylation" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-14 10:32:35" - approved="1" - record_id="34"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Post-translational" - spec_group="14"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational" - spec_group="13"/> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" - classification="Post-translational" - spec_group="10"/> - <umod:specificity hidden="0" site="E" position="Anywhere" classification="Post-translational" - spec_group="12"/> - <umod:specificity hidden="0" site="D" position="Anywhere" classification="Post-translational" - spec_group="12"/> - <umod:specificity hidden="0" site="C-term" position="Any C-term" classification="Multiple" - spec_group="11"/> - <umod:specificity hidden="1" site="L" position="Anywhere" classification="Post-translational" - spec_group="9"/> - <umod:specificity hidden="1" site="I" position="Anywhere" classification="Post-translational" - spec_group="8"/> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Post-translational" - spec_group="7"/> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="5"/> - <umod:specificity hidden="1" site="Q" position="Anywhere" classification="Post-translational" - spec_group="6"/> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="Post-translational" - spec_group="4"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="3"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="14.015650" avge_mass="14.0266" composition="H(2) C"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - </umod:delta> - <umod:alt_name>methyl ester</umod:alt_name> - <umod:xref> - <umod:text>METH</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0318</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0338</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0064</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0061</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0063</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0065</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0069</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0336</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0305</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0272</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0076</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0071</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0070</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0073</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0234</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0273</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0317</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0337</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0299</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0072</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11875433</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0105</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Oxidation" full_name="Oxidation or Hydroxylation" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2008-02-15 05:37:07" - approved="0" - record_id="35"> - <umod:specificity hidden="0" site="W" position="Anywhere" classification="Artefact" - spec_group="10"/> - <umod:specificity hidden="0" site="H" position="Anywhere" classification="Artefact" - spec_group="10"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="9"> - <umod:misc_notes>Cysteine sulfenic acid</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="M" position="Anywhere" classification="Artefact" - spec_group="8"> - <umod:NeutralLoss mono_mass="0.000000" avge_mass="0.0000" flag="false" composition="0"/> - <umod:NeutralLoss mono_mass="63.998285" avge_mass="64.1069" flag="false" composition="H(4) C O S"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="1"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Post-translational" - spec_group="7"/> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Post-translational" - spec_group="6"/> - <umod:specificity hidden="1" site="F" position="Anywhere" classification="Artefact" - spec_group="5"/> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="Post-translational" - spec_group="4"> - <umod:misc_notes>Proline oxidation to glutamic semialdehyde</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="Post-translational" - spec_group="3"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="G" position="Any C-term" classification="Pre-translational" - spec_group="11"> - <umod:misc_notes>Hydroxyglycine derivative in amidation pathway</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="15.994915" avge_mass="15.9994" composition="O"> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>HYDR</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0322</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11212008</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11120890</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>DOPA</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>CSEA</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>14661084</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0026</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15569593</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0205</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0215</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Lagerwerf FM, van de Weert M, Heerma W, Haverkamp J, Rapid Commun Mass Spectrom. 1996;10(15):1905-10</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0029</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0030</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>9004526</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0028</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11461766</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0027</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0235</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0146</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>14661085</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12781462</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>2057999</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Dimethyl" full_name="di-Methylation" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-18 14:35:31" - approved="1" - record_id="36"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="Post-translational" - spec_group="4"/> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="P" position="Protein N-term" - classification="Post-translational" - spec_group="5"/> - <umod:delta mono_mass="28.031300" avge_mass="28.0532" composition="H(4) C(2)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>DIMETH</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0311</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0068</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>14570711</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0067</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12964758</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0075</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0066</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Trimethyl" full_name="tri-Methylation" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-18 14:31:46" - approved="1" - record_id="37"> - <umod:specificity hidden="1" site="A" position="Protein N-term" - classification="Post-translational" - spec_group="3"/> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="42.046950" avge_mass="42.0797" composition="H(6) C(3)"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="3"/> - </umod:delta> - <umod:xref> - <umod:text>12590383</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0074</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0062</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Role of arginine and its methylated derivatives in cancer biology and treatment</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.cancerci.com/content/1/1/3</umod:url> - </umod:xref> - <umod:xref> - <umod:text>J. Hirota et. al., Rapid Commun. Mass Spectrom., 17 371-6 (2003)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>TRIMETH</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>RESID gives the delta as 43 Da?</umod:misc_notes> - </umod:mod> - <umod:mod title="Methylthio" full_name="Beta-methylthiolation" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-11-14 11:17:13" - approved="0" - record_id="39"> - <umod:specificity hidden="0" site="C" position="Anywhere" classification="Multiple" - spec_group="3"/> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="45.987721" avge_mass="46.0916" composition="H(2) C S"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>Methyl methanethiosulfonate</umod:alt_name> - <umod:alt_name>MMTS</umod:alt_name> - <umod:xref> - <umod:text>J. A. Kowalak and K. A. Walsh, Protein Science (1996) 5: 1625-1632</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0232</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>TRC data sheet</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.trc-canada.com/white_papers.lasso</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Applied Biosystems iTRAQ(TM) Reagents Chemistry Reference Guide Part Number 4351918 Rev. A</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://docs.appliedbiosystems.com/pebiodocs/04351918.pdf</umod:url> - </umod:xref> - <umod:xref> - <umod:text>AA0320</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>8844851</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0101</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>BMTH</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Sulfo" full_name="O-Sulfonation" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 11:16:55" - approved="1" - record_id="40"> - <umod:specificity hidden="0" site="Y" position="Anywhere" classification="Post-translational" - spec_group="3"/> - <umod:specificity hidden="0" site="T" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="0" site="S" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="4"> - <umod:misc_notes>Sulfitolysis</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="79.956815" avge_mass="80.0632" composition="O(3) S"> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0362</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0361</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>SULF</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0171</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Medzihradszky et al., Mol. Cell. Proteomics 2004, 3, 429-440</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>14752058</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0172</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Hex" full_name="Hexose" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 14:11:32" - approved="1" - record_id="41"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Other glycosylation" - spec_group="8"/> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Other glycosylation" - spec_group="7"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Other glycosylation" - spec_group="6"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Other glycosylation" - spec_group="4"/> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Other glycosylation" - spec_group="5"/> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Other glycosylation" - spec_group="3"> - <umod:misc_notes>glycation</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other glycosylation" - spec_group="1"> - <umod:misc_notes>glycation</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="162.052824" avge_mass="162.1406" composition="Hex"> - <umod:element symbol="H" number="10"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="O" number="5"/> - </umod:delta> - <umod:alt_name>Fructose</umod:alt_name> - <umod:alt_name>Glucose</umod:alt_name> - <umod:alt_name>Galactose</umod:alt_name> - <umod:alt_name>Mannose</umod:alt_name> - <umod:xref> - <umod:text>GLUC</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15279557</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0152</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0157</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0327</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0217</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>CMAN</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Lipoyl" full_name="Lipoyl" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 15:06:53" - approved="1" - record_id="42"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="188.032956" avge_mass="188.3103" composition="H(12) C(8) O S(2)"> - <umod:element symbol="H" number="12"/> - <umod:element symbol="C" number="8"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>PDOC00168</umod:text> - <umod:source>Prosite</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0118</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>LIPY</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>3522581</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>This group is normally a substituent on N6 of a lysine residue of an enzyme or other protein</umod:misc_notes> - </umod:mod> - <umod:mod title="HexNAc" full_name="N-Acetylhexosamine" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 15:10:27" - approved="1" - record_id="43"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Other glycosylation" - spec_group="3"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Other glycosylation" - spec_group="2"/> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="203.079373" avge_mass="203.1925" composition="HexNAc"> - <umod:element symbol="H" number="13"/> - <umod:element symbol="C" number="8"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="5"/> - </umod:delta> - <umod:xref> - <umod:text>GLCN</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0151</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0154</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>3086323</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0155</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>The amine derivative of a hexose formed by replacing a hydroxyl group with an amino group.(+acetyl group)</umod:misc_notes> - </umod:mod> - <umod:mod title="Farnesyl" full_name="Farnesylation" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 15:11:38" - approved="1" - record_id="44"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="204.187801" avge_mass="204.3511" composition="H(24) C(15)"> - <umod:element symbol="H" number="24"/> - <umod:element symbol="C" number="15"/> - </umod:delta> - <umod:xref> - <umod:text>15609361</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0102</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>FARN</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Myristoyl" full_name="Myristoylation" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 15:13:17" - approved="1" - record_id="45"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="3"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="G" position="Any N-term" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="210.198366" avge_mass="210.3556" composition="H(26) C(14) O"> - <umod:element symbol="H" number="26"/> - <umod:element symbol="C" number="14"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>PDOC00008</umod:text> - <umod:source>Prosite</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0059</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0307</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0078</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>MYRI</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="PyridoxalPhosphate" full_name="Pyridoxal phosphate" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 15:35:42" - approved="1" - record_id="46"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="229.014009" avge_mass="229.1266" composition="H(8) C(8) N O(5) P"> - <umod:element symbol="H" number="8"/> - <umod:element symbol="C" number="8"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Biochemistry; D.Voet and J.G.Voet WILEY(p728)</umod:text> - <umod:source>Book</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0119</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>PLP</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>The co-enzyme derivative of vitamin B6. Forms Schiff\'s bases of substrate amino acids during catalysis of transamination, decarboxylation and racemisation reactions.</umod:misc_notes> - </umod:mod> - <umod:mod title="Palmitoyl" full_name="Palmitoylation" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 15:38:43" - approved="1" - record_id="47"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Post-translational" - spec_group="4"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational" - spec_group="3"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" - classification="Post-translational" - spec_group="5"/> - <umod:delta mono_mass="238.229666" avge_mass="238.4088" composition="H(30) C(16) O"> - <umod:element symbol="H" number="30"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0080</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0079</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0106</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0077</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>PALM</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0339</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0060</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Palmitoylation is a post-translational modification that consists in the addition of a 16 carbons fatty acid, palmitate, to a cysteine residue through the creation of a thioester link.</umod:misc_notes> - </umod:mod> - <umod:mod title="GeranylGeranyl" full_name="Geranyl-geranyl" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 15:47:48" - approved="1" - record_id="48"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="272.250401" avge_mass="272.4681" composition="H(32) C(20)"> - <umod:element symbol="H" number="32"/> - <umod:element symbol="C" number="20"/> - </umod:delta> - <umod:xref> - <umod:text>AA0104</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15609361</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>GERA</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Phosphopantetheine" full_name="Phosphopantetheine" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 16:00:24" - approved="1" - record_id="49"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="340.085794" avge_mass="340.3330" - composition="H(21) C(11) N(2) O(6) P S"> - <umod:element symbol="H" number="21"/> - <umod:element symbol="C" number="11"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="P" number="1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0150</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>PPAN</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Protein which contains at least one phosphopantetheine as the prosthetic group. In acyl carrier proteins (ACP) for example, it serves as a \'swinging arm\' for the attachment of activated fatty acid and amino-acid groups.</umod:misc_notes> - </umod:mod> - <umod:mod title="FAD" full_name="Flavin adenine dinucleotide" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-16 17:16:18" - approved="1" - record_id="50"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Post-translational" - spec_group="3"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="783.141486" avge_mass="783.5339" - composition="H(31) C(27) N(9) O(15) P(2)"> - <umod:element symbol="H" number="31"/> - <umod:element symbol="C" number="27"/> - <umod:element symbol="N" number="9"/> - <umod:element symbol="O" number="15"/> - <umod:element symbol="P" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>AA0143</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Structure</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.aw-bc.com/mathews/EF/FAD.GIF</umod:url> - </umod:xref> - <umod:xref> - <umod:text>AA0144</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0145</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0221</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>FAD</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Tripalmitate" full_name="N-acyl diglyceride cysteine" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-18 11:47:54" - approved="1" - record_id="51"> - <umod:specificity hidden="1" site="C" position="Protein N-term" - classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="788.725777" avge_mass="789.3049" composition="H(96) C(51) O(5)"> - <umod:element symbol="H" number="96"/> - <umod:element symbol="C" number="51"/> - <umod:element symbol="O" number="5"/> - </umod:delta> - <umod:xref> - <umod:text>10356335</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Guanidinyl" full_name="Guanidination" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-10-15 19:58:44" - approved="1" - record_id="52"> - <umod:specificity hidden="0" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="42.021798" avge_mass="42.0400" composition="H(2) C N(2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="2"/> - </umod:delta> - <umod:alt_name>homoarginine</umod:alt_name> - <umod:xref> - <umod:text>11078590</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>ASMS 2001 abstract</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.indiana.edu/~reillyjp/ASMS2001posters/beardsley_poster.pdf</umod:url> - </umod:xref> - <umod:xref> - <umod:text>11821862</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11085420</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Anal. Biochem. 287, p110-117, 2000</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Specific for sidechain of lysine. Does not modify the N-termini except for glycine at a slower rate than the side chain of lysine.</umod:misc_notes> - </umod:mod> - <umod:mod title="HNE" full_name="4-hydroxynonenal (HNE)" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-08-19 19:17:11" - date_time_modified="2006-11-14 11:38:12" - approved="1" - record_id="53"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="156.115030" avge_mass="156.2221" composition="H(16) C(9) O(2)"> - <umod:element symbol="H" number="16"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>11327326</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Poli G, Schaur RJ., IUBMB Life 2000 Oct-Nov;50(4-5):315-21</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>A lipid-type modification. HNE forms a Michael addition product on Cysteine, Histidine and Lysines. Unusually, it doesn\'t replace a hydrogen on the amino acid side chain.</umod:misc_notes> - </umod:mod> - <umod:mod title="Glucuronyl" full_name="N-glucuronylation" username_of_poster="jcottrell" - group_of_poster="users" - date_time_posted="2002-10-01 21:36:48" - date_time_modified="2006-10-16 17:26:21" - approved="1" - record_id="54"> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" - classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:delta mono_mass="176.032088" avge_mass="176.1241" composition="H(8) C(6) O(6)"> - <umod:element symbol="H" number="8"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="O" number="6"/> - </umod:delta> - <umod:alt_name>glucuronosyl</umod:alt_name> - <umod:xref> - <umod:text>AA0291</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0058</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Lin, T.S. Kolattukudy, P.E., Eur. J. Biochem. 106, 341-351, 1980</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>7398618</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>The addition of a sugar unit to a protein amino acid, e.g. the addition of glycan chains to proteins. Addition of glucuronic acid. Observed for N-term G</umod:misc_notes> - </umod:mod> - <umod:mod title="Glutathione" full_name="glutathione disulfide" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2002-10-03 09:10:19" - date_time_modified="2006-10-16 15:51:52" - approved="1" - record_id="55"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="305.068156" avge_mass="305.3076" - composition="H(15) C(10) N(3) O(6) S"> - <umod:element symbol="H" number="15"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>3083866</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>8344916</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0229</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>GLUT</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Acetyl:2H(3)" - full_name="Acetate labeling reagent (N-term & K) (heavy form, +3amu)" - username_of_poster="penner" - group_of_poster="users" - date_time_posted="2002-10-16 16:41:56" - date_time_modified="2006-10-16 10:02:50" - approved="1" - record_id="56"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="45.029395" avge_mass="45.0552" composition="H(-1) 2H(3) C(2) O"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="2H" number="3"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>N-trideuteriumacetoxy</umod:alt_name> - <umod:xref> - <umod:text>11857757</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11999733</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12175151</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Controlling Deuterium isotope effects in comparative proteomics. Zhang, Roujian; Sioma, Cathy S.; Thompson, Robert A.; Xiong, Li; Regnier, Fred E.. Department of Chemistry, Purdue University, West Lafayette, IN, USA. Analytical Chemistry (2</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Global internal standard technology for comparative proteomics. Chakraborty, Asish; Regnier, Fred E.. Department of Chemistry, Purdue University, West Lafayette, IN, USA. Journal of Chromatography, A (2002), 949(1-2), 173-184.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection. Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A. Department of Chemistry, Pu</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Propionyl" - full_name="Propionate labeling reagent light form (N-term & K)" - username_of_poster="penner" - group_of_poster="users" - date_time_posted="2002-10-16 16:52:38" - date_time_modified="2006-10-16 10:17:00" - approved="1" - record_id="58"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="56.026215" avge_mass="56.0633" composition="H(4) C(3) O"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection. Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A. Department of Chemistry, Pu</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12175151</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11999733</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11857757</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Global internal standard technology for comparative proteomics. Chakraborty, Asish; Regnier, Fred E.. Department of Chemistry, Purdue University, West Lafayette, IN, USA. Journal of Chromatography, A (2002), 949(1-2), 173-184.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Controlling Deuterium isotope effects in comparative proteomics. Zhang, Roujian; Sioma, Cathy S.; Thompson, Robert A.; Xiong, Li; Regnier, Fred E.. Department of Chemistry, Purdue University, West Lafayette, IN, USA. Analytical Chemistry (2</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Propionyl:13C(3)" - full_name="Propionate labeling reagent heavy form (+3amu), N-term & K" - username_of_poster="penner" - group_of_poster="users" - date_time_posted="2002-10-16 16:55:47" - date_time_modified="2006-10-16 10:27:21" - approved="1" - record_id="59"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="59.036279" avge_mass="59.0412" composition="H(4) 13C(3) O"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="13C" number="3"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection. Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A. Department of Chemistry, Pu</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Global internal standard technology for comparative proteomics. Chakraborty, Asish; Regnier, Fred E.. Department of Chemistry, Purdue University, West Lafayette, IN, USA. Journal of Chromatography, A (2002), 949(1-2), 173-184.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Controlling Deuterium isotope effects in comparative proteomics. Zhang, Roujian; Sioma, Cathy S.; Thompson, Robert A.; Xiong, Li; Regnier, Fred E.. Department of Chemistry, Purdue University, West Lafayette, IN, USA. Analytical Chemistry (2</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11857757</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12175151</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11999733</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="GIST-Quat" - full_name="Quaternary amine labeling reagent light form (N-term & K)" - username_of_poster="penner" - group_of_poster="users" - date_time_posted="2002-10-16 17:02:37" - date_time_modified="2006-10-16 13:39:27" - approved="1" - record_id="60"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"> - <umod:NeutralLoss mono_mass="59.073499" avge_mass="59.1103" flag="false" - composition="H(9) C(3) N"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:NeutralLoss mono_mass="59.073499" avge_mass="59.1103" flag="false" - composition="H(9) C(3) N"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:delta mono_mass="127.099714" avge_mass="127.1842" composition="H(13) C(7) N O"> - <umod:element symbol="H" number="13"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>N-(4-trimethylammoniumbutanoxy)-NHS</umod:alt_name> - <umod:xref> - <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection. Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A. Department of Chemistry, Pu</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11857757</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="GIST-Quat:2H(3)" - full_name="Quaternary amine labeling reagent heavy (+3amu) form, N-term & K" - username_of_poster="penner" - group_of_poster="users" - date_time_posted="2002-10-16 17:09:34" - date_time_modified="2006-10-16 13:40:03" - approved="1" - record_id="61"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"> - <umod:NeutralLoss mono_mass="62.092330" avge_mass="62.1287" flag="false" - composition="H(6) 2H(3) C(3) N"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="2H" number="3"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:NeutralLoss mono_mass="62.092330" avge_mass="62.1287" flag="false" - composition="H(6) 2H(3) C(3) N"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="2H" number="3"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:delta mono_mass="130.118544" avge_mass="130.2027" composition="H(10) 2H(3) C(7) N O"> - <umod:element symbol="H" number="10"/> - <umod:element symbol="2H" number="3"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection. Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A. Department of Chemistry, Pu</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11857757</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="GIST-Quat:2H(6)" - full_name="Quaternary amine labeling reagent heavy form (+6amu), N-term & K" - username_of_poster="penner" - group_of_poster="users" - date_time_posted="2002-10-16 17:12:27" - date_time_modified="2006-10-16 13:40:56" - approved="1" - record_id="62"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"> - <umod:NeutralLoss mono_mass="65.111160" avge_mass="65.1472" flag="false" - composition="H(3) 2H(6) C(3) N"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="2H" number="6"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:NeutralLoss mono_mass="65.111160" avge_mass="65.1472" flag="false" - composition="H(3) 2H(6) C(3) N"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="2H" number="6"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:delta mono_mass="133.137375" avge_mass="133.2212" composition="H(7) 2H(6) C(7) N O"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="2H" number="6"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection. Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A. Department of Chemistry, Pu</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11857757</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="GIST-Quat:2H(9)" - full_name="Quaternary amine labeling reagent heavy form (+9amu), N-term & K" - username_of_poster="penner" - group_of_poster="users" - date_time_posted="2002-10-16 17:14:22" - date_time_modified="2006-10-16 13:41:45" - approved="1" - record_id="63"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"> - <umod:NeutralLoss mono_mass="68.129990" avge_mass="68.1657" flag="false" - composition="2H(9) C(3) N"> - <umod:element symbol="2H" number="9"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:NeutralLoss mono_mass="68.129990" avge_mass="68.1657" flag="false" - composition="2H(9) C(3) N"> - <umod:element symbol="2H" number="9"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:delta mono_mass="136.156205" avge_mass="136.2397" composition="H(4) 2H(9) C(7) N O"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="2H" number="9"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection. Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A. Department of Chemistry, Pu</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11857757</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Succinyl" - full_name="Succinic anhydride labeling reagent light form (N-term & K)" - username_of_poster="penner" - group_of_poster="users" - date_time_posted="2002-10-16 17:17:07" - date_time_modified="2006-10-16 12:40:39" - approved="1" - record_id="64"> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" - classification="Post-translational" - spec_group="3"/> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="100.016044" avge_mass="100.0728" composition="H(4) C(4) O(3)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="O" number="3"/> - </umod:delta> - <umod:xref> - <umod:text>Controlling Deuterium isotope effects in comparative proteomics. Zhang, Roujian; Sioma, Cathy S.; Thompson, Robert A.; Xiong, Li; Regnier, Fred E.. Department of Chemistry, Purdue University, West Lafayette, IN, USA. Analytical Chemistry (2</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection. Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A. Department of Chemistry, Pu</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12175151</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11857757</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0130</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Succinyl:2H(4)" - full_name="Succinic anhydride labeling reagent, heavy form (+4amu, 4H2), N-term & K" - username_of_poster="penner" - group_of_poster="users" - date_time_posted="2002-10-16 17:19:51" - date_time_modified="2006-10-16 12:42:10" - approved="1" - record_id="65"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="104.041151" avge_mass="104.0974" composition="2H(4) C(4) O(3)"> - <umod:element symbol="2H" number="4"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="O" number="3"/> - </umod:delta> - <umod:xref> - <umod:text>Controlling Deuterium isotope effects in comparative proteomics. Zhang, Roujian; Sioma, Cathy S.; Thompson, Robert A.; Xiong, Li; Regnier, Fred E.. Department of Chemistry, Purdue University, West Lafayette, IN, USA. Analytical Chemistry (2</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection. Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A. Department of Chemistry, Pu</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11857757</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12175151</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Succinyl:13C(4)" - full_name="Succinic anhydride labeling reagent, heavy form (+4amu, 4C13), N-term & K" - username_of_poster="penner" - group_of_poster="users" - date_time_posted="2002-10-16 17:23:58" - date_time_modified="2006-10-16 12:41:49" - approved="1" - record_id="66"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="104.029463" avge_mass="104.0434" composition="H(4) 13C(4) O(3)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="13C" number="4"/> - <umod:element symbol="O" number="3"/> - </umod:delta> - <umod:xref> - <umod:text>Controlling Deuterium isotope effects in comparative proteomics. Zhang, Roujian; Sioma, Cathy S.; Thompson, Robert A.; Xiong, Li; Regnier, Fred E.. Department of Chemistry, Purdue University, West Lafayette, IN, USA. Analytical Chemistry (2</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Comparative proteomics based on stable isotope labeling and affinity selection. Regnier, Fred E.; Riggs, Larry; Zhang, Roujian; Xiong, Li; Liu, Peiran; Chakraborty, Asish; Seeley, Erin; Sioma, Cathy; Thompson, Robert A. Department of Chemistry, Pu</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11857757</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12175151</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="probiotinhydrazide" - full_name="oxidized proline biotinylated with biotin hydrazide" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 22:56:20" - date_time_modified="2006-11-14 12:12:19" - approved="0" - record_id="357"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="258.115047" avge_mass="258.3405" - composition="H(18) C(10) N(4) O(2) S"> - <umod:element symbol="H" number="18"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>http://www.piercenet.com/Proteomics/browse.cfm?fldID=84EBE112-F871-4CA5-807F-47327153CFCB</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15174056</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Yoo, Byoung-Sam; Regnier, Fred E. Electrophoresis (2004), 25(9), 1334-1341</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Pro->pyro-Glu" full_name="proline oxidation to pyroglutamic acid" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 22:58:42" - date_time_modified="2006-10-14 10:03:34" - approved="1" - record_id="359"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="13.979265" avge_mass="13.9835" composition="H(-2) O"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>9252331</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>10717661</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="His->Asn" full_name="histidine oxidation to aspargine" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 22:43:27" - date_time_modified="2008-01-24 15:40:23" - approved="1" - record_id="348"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="AA substitution" - spec_group="1"> - <umod:misc_notes>Could also be classed as chemical derivative</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="-23.015984" avge_mass="-23.0366" composition="H(-1) C(-2) N(-1) O"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>9252331</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="His->Asp" full_name="histidine oxidation to aspartic acid" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 22:44:32" - date_time_modified="2008-01-24 15:40:44" - approved="1" - record_id="349"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="AA substitution" - spec_group="1"> - <umod:misc_notes>Could also be classed as chemical derivative</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="-22.031969" avge_mass="-22.0519" - composition="H(-2) C(-2) N(-2) O(2)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="N" number="-2"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>9252331</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Trp->Hydroxykynurenin" - full_name="tryptophan oxidation to hydroxykynurenin" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 22:47:20" - date_time_modified="2006-11-14 17:40:45" - approved="1" - record_id="350"> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="19.989829" avge_mass="19.9881" composition="C(-1) O(2)"> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Degradation of the amino acids Isoleucine, Leucine and Tryptophan</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.lbqp.unb.br/bioq/htm/aulas2D/deg_aa_ile_leu_trp.htm?reload_coolmenus</umod:url> - </umod:xref> - <umod:xref> - <umod:text>9252331</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Delta:H(4)C(3)" full_name="Propionaldehyde +40" - username_of_poster="fatcat" - group_of_poster="users" - date_time_posted="2004-08-12 20:04:01" - date_time_modified="2006-10-15 18:30:52" - approved="1" - record_id="256"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="2"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="40.031300" avge_mass="40.0639" composition="H(4) C(3)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="3"/> - </umod:delta> - </umod:mod> - <umod:mod title="Delta:H(4)C(2)" full_name="Acetaldehyde +28" username_of_poster="fatcat" - group_of_poster="users" - date_time_posted="2004-08-12 20:02:38" - date_time_modified="2006-10-15 17:55:18" - approved="1" - record_id="255"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="2"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="28.031300" avge_mass="28.0532" composition="H(4) C(2)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="2"/> - </umod:delta> - <umod:misc_notes>Reduction of Schiff base formed between K amino group and acetaldehyde</umod:misc_notes> - </umod:mod> - <umod:mod title="Cys->Dha" full_name="Dehydroalanine (from Cysteine)" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-02 17:31:11" - date_time_modified="2006-10-13 15:27:46" - approved="1" - record_id="368"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="-33.987721" avge_mass="-34.0809" composition="H(-2) S(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>11212008</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Arg->GluSA" full_name="Arginine oxidation to glutamic semialdehyde" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 22:38:24" - date_time_modified="2006-11-16 15:25:28" - approved="1" - record_id="344"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="-43.053433" avge_mass="-43.0711" composition="H(-5) C(-1) N(-3) O"> - <umod:element symbol="H" number="-5"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="-3"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>Arginine oxidation to gamma-glutamyl semialdehyde</umod:alt_name> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Jesus Requena, Chien-Chung Chao, Rodney L. Levine, and Earl R. Stadtman, Glutamic and aminoadipic semialdehydes are the main carbonyl products of metal-catalyzed oxidation of proteins, PNAS 98 69-74 (2001)</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://www.pnas.org/cgi/content/full/98/1/69</umod:url> - </umod:xref> - <umod:xref> - <umod:text>9252331</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>1680314</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Trioxidation" full_name="cysteine oxidation to cysteic acid" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 22:39:38" - date_time_modified="2006-10-16 10:12:44" - approved="1" - record_id="345"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="47.984744" avge_mass="47.9982" composition="O(3)"> - <umod:element symbol="O" number="3"/> - </umod:delta> - <umod:xref> - <umod:text>14678012</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>9252331</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Iminobiotin" full_name="Iminobiotinylation" - username_of_poster="toppolzer" - group_of_poster="users" - date_time_posted="2002-11-25 16:01:48" - date_time_modified="2006-10-16 15:26:37" - approved="1" - record_id="89"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="225.093583" avge_mass="225.3106" composition="H(15) C(10) N(3) O S"> - <umod:element symbol="H" number="15"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>9750125</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="ESP" full_name="ESP-Tag light d0" username_of_poster="toppolzer" - group_of_poster="users" - date_time_posted="2002-11-25 16:12:50" - date_time_modified="2006-10-16 15:58:19" - approved="1" - record_id="90"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="338.177647" avge_mass="338.4682" - composition="H(26) C(16) N(4) O(2) S"> - <umod:element symbol="H" number="26"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Poster abstract P-48</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.wzw.tum.de/proteomik/forum2003/Posters-Abstracts.pdf</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="ESP:2H(10)" full_name="ESP-Tag heavy d10" username_of_poster="toppolzer" - group_of_poster="users" - date_time_posted="2002-11-25 16:18:58" - date_time_modified="2006-10-16 16:03:06" - approved="1" - record_id="91"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="348.240414" avge_mass="348.5299" - composition="H(16) 2H(10) C(16) N(4) O(2) S"> - <umod:element symbol="H" number="16"/> - <umod:element symbol="2H" number="10"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Poster abstract P-48</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.wzw.tum.de/proteomik/forum2003/Posters-Abstracts.pdf</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="NHS-LC-Biotin" full_name="NHS-LC-Biotin" username_of_poster="toppolzer" - group_of_poster="users" - date_time_posted="2002-12-04 09:55:19" - date_time_modified="2006-11-14 11:14:57" - approved="0" - record_id="92"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="339.161662" avge_mass="339.4530" - composition="H(25) C(16) N(3) O(3) S"> - <umod:element symbol="H" number="25"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Introduction to Protein Labeling</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.piercenet.com/Proteomics/browse.cfm?fldID=84EBE112-F871-4CA5-807F-47327153CFCB</umod:url> - </umod:xref> - <umod:xref> - <umod:text>EZ-Link Sulfo-NHS-Biotin Reagents</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.piercenet.com/Products/Browse.cfm?fldID=8D38BA83-EFDC-421A-853F-E96EBA380612</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="EDT-maleimide-PEO-biotin" full_name="EDT-maleimide-PEO-biotin" - username_of_poster="take" - group_of_poster="users" - date_time_posted="2002-12-27 09:08:56" - date_time_modified="2006-11-14 11:15:06" - approved="0" - record_id="93"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="601.206246" avge_mass="601.8021" - composition="H(39) C(25) N(5) O(6) S(3)"> - <umod:element symbol="H" number="39"/> - <umod:element symbol="C" number="25"/> - <umod:element symbol="N" number="5"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="S" number="3"/> - </umod:delta> - <umod:xref> - <umod:text>EZ-Link Maleimide PEOn-Biotin (n = 2 and 11)</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.piercenet.com/Products/Browse.cfm?fldID=01031005</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="IMID" full_name="IMID d0" username_of_poster="Liao" - group_of_poster="users" - date_time_posted="2003-01-09 04:14:06" - date_time_modified="2006-10-16 10:33:45" - approved="1" - record_id="94"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="68.037448" avge_mass="68.0773" composition="H(4) C(3) N(2)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="2"/> - </umod:delta> - <umod:alt_name>2-methoxy-4,5-dihydro-1H-imidazole derivative</umod:alt_name> - <umod:alt_name>Lys imidazole</umod:alt_name> - <umod:xref> - <umod:text>11746907</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Rapid Communications in Mass Spectrometry, Volume 15, Issue 24 , Pages 2387 - 2392</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://dx.doi.org/10.1002/rcm.517</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Agilent Lys Tag 4H Reagent Kit</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.chem.agilent.com/cag/lystag.asp</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Poster: Kelly Zhang, Gordon Nicol, Nina Zolotarjova, Cory Szafranski, Jerome Bailey, Liang-Sheng Yang, and Barry Boyes</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.chem.agilent.com/cag/other/IMTHUPO2003.pdf</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="IMID:2H(4)" full_name="IMID d4" username_of_poster="Liao" - group_of_poster="users" - date_time_posted="2003-01-09 04:15:25" - date_time_modified="2006-10-16 11:06:13" - approved="1" - record_id="95"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="72.062555" avge_mass="72.1019" composition="2H(4) C(3) N(2)"> - <umod:element symbol="2H" number="4"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="2"/> - </umod:delta> - <umod:alt_name>2-methoxy-4,5-dihydro-1H-imidazole derivative</umod:alt_name> - <umod:xref> - <umod:text>Rapid Communications in Mass Spectrometry, Volume 15, Issue 24 , Pages 2387 - 2392</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://dx.doi.org/10.1002/rcm.517</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Agilent Lys Tag 4H Reagent Kit</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.chem.agilent.com/cag/lystag.asp</umod:url> - </umod:xref> - <umod:xref> - <umod:text>11746907</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Poster: Kelly Zhang, Gordon Nicol, Nina Zolotarjova, Cory Szafranski, Jerome Bailey, Liang-Sheng Yang, and Barry Boyes</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.chem.agilent.com/cag/other/IMTHUPO2003.pdf</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Lysbiotinhydrazide" - full_name="oxidized Lysine biotinylated with biotin hydrazide" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 22:51:13" - date_time_modified="2006-11-14 12:12:01" - approved="0" - record_id="353"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="241.088497" avge_mass="241.3100" - composition="H(15) C(10) N(3) O(2) S"> - <umod:element symbol="H" number="15"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>http://www.piercenet.com/Proteomics/browse.cfm?fldID=84EBE112-F871-4CA5-807F-47327153CFCB</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Yoo, Byoung-Sam; Regnier, Fred E. Electrophoresis (2004), 25(9), 1334-1341</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Propionamide:2H(3)" full_name="Acrylamide d3" username_of_poster="Liao" - group_of_poster="users" - date_time_posted="2003-01-14 08:10:30" - date_time_modified="2006-10-16 11:07:07" - approved="1" - record_id="97"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="74.055944" avge_mass="74.0964" composition="H(2) 2H(3) C(3) N O"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="2H" number="3"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Nitro" full_name="Oxidation to nitro" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 22:52:38" - date_time_modified="2006-10-16 10:02:15" - approved="1" - record_id="354"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="44.985078" avge_mass="44.9976" composition="H(-1) N O(2)"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>8839040</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>9252331</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="ICAT-C" full_name="Applied Biosystems cleavable ICAT(TM) light" - username_of_poster="tpjd2" - group_of_poster="users" - date_time_posted="2003-01-27 10:27:11" - date_time_modified="2006-10-16 15:32:17" - approved="1" - record_id="105"> - <umod:specificity hidden="0" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="227.126991" avge_mass="227.2603" composition="H(17) C(10) N(3) O(3)"> - <umod:element symbol="H" number="17"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="3"/> - </umod:delta> - <umod:xref> - <umod:text>ICAT page from the Royal Society of Chemistry</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.chemsoc.org/exemplarchem/entries/2002/proteomics/icat.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Applied Biosystems product page</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>https://products.appliedbiosystems.com/ab/en/US/adirect/ab?cmd=catNavigate2&catID=600902</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Cleavable ICAT Reagent Kit for Protein Labeling</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://docs.appliedbiosystems.com/pebiodocs/04333373.pdf</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Delta:H(2)C(2)" full_name="Acetaldehyde +26" username_of_poster="fatcat" - group_of_poster="users" - date_time_posted="2004-08-12 20:01:03" - date_time_modified="2006-10-14 19:44:29" - approved="1" - record_id="254"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="2"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="26.015650" avge_mass="26.0373" composition="H(2) C(2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>7744761</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Lys modification is formation of Schiff base.</umod:misc_notes> - </umod:mod> - <umod:mod title="Trp->Kynurenin" full_name="tryptophan oxidation to kynurenin" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 22:48:33" - date_time_modified="2006-10-14 09:39:53" - approved="1" - record_id="351"> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="3.994915" avge_mass="3.9887" composition="C(-1) O"> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>9252331</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Lys->Allysine" full_name="Lysine oxidation to aminoadipic semialdehyde" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 22:49:59" - date_time_modified="2006-10-13 18:27:28" - approved="1" - record_id="352"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="-1.031634" avge_mass="-1.0311" composition="H(-3) N(-1) O"> - <umod:element symbol="H" number="-3"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0121</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>ALLYS</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>9252331</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11120890</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="ICAT-C:13C(9)" full_name="Applied Biosystems cleavable ICAT(TM) heavy" - username_of_poster="tpjd2" - group_of_poster="users" - date_time_posted="2003-01-27 10:32:53" - date_time_modified="2006-10-16 15:34:14" - approved="1" - record_id="106"> - <umod:specificity hidden="0" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="236.157185" avge_mass="236.1942" - composition="H(17) C 13C(9) N(3) O(3)"> - <umod:element symbol="H" number="17"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="13C" number="9"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="3"/> - </umod:delta> - <umod:xref> - <umod:text>Cleavable ICAT Reagent Kit for Protein Labeling</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://docs.appliedbiosystems.com/pebiodocs/04333373.pdf</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Applied Biosystems product page</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>https://products.appliedbiosystems.com/ab/en/US/adirect/ab?cmd=catNavigate2&catID=600902</umod:url> - </umod:xref> - <umod:xref> - <umod:text>ICAT page from the Royal Society of Chemistry</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.chemsoc.org/exemplarchem/entries/2002/proteomics/icat.htm</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="FormylMet" full_name="Addition of N-formyl met" - username_of_poster="jphilip" - group_of_poster="users" - date_time_posted="2003-01-27 18:24:14" - date_time_modified="2006-10-16 14:08:15" - approved="1" - record_id="107"> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" - classification="Pre-translational" - spec_group="1"> - <umod:misc_notes>only with Listeria monocytogenes (gram-positive bacteria)</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="159.035399" avge_mass="159.2062" composition="H(9) C(6) N O(2) S"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0021</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>10825024</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>8758896</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Nethylmaleimide" full_name="N-ethylmaleimide on cysteines" - username_of_poster="Pflieger" - group_of_poster="users" - date_time_posted="2003-01-30 09:52:51" - date_time_modified="2006-10-16 13:36:10" - approved="1" - record_id="108"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="125.047679" avge_mass="125.1253" composition="H(7) C(6) N O(2)"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>CysNEM</umod:alt_name> - <umod:xref> - <umod:text>reaction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.chemistry.ucsc.edu/~fink/231/Image118.gif</umod:url> - </umod:xref> - <umod:xref> - <umod:text>12777388</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11813307</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="OxLysBiotinRed" - full_name="Oxidized lysine biotinylated with biotin-LC-hydrazide, reduced" - username_of_poster="S_Lee" - group_of_poster="users" - date_time_posted="2003-02-21 00:53:43" - date_time_modified="2006-11-14 12:10:49" - approved="0" - record_id="112"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="354.172562" avge_mass="354.4676" - composition="H(26) C(16) N(4) O(3) S"> - <umod:element symbol="H" number="26"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="IBTP" full_name="Thio Ether Formation - BTP Adduct" - username_of_poster="MRCDunn" - group_of_poster="users" - date_time_posted="2003-03-13 09:36:40" - date_time_modified="2006-10-16 15:52:42" - approved="1" - record_id="119"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="316.138088" avge_mass="316.3759" composition="H(21) C(22) P"> - <umod:element symbol="H" number="21"/> - <umod:element symbol="C" number="22"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>J. Biol. Chem 2002 vol277 pp17048-17056</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11861642</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="OxLysBiotin" - full_name="Oxidized lysine biotinylated with biotin-LC-hydrazide" - username_of_poster="S_Lee" - group_of_poster="users" - date_time_posted="2003-02-21 01:25:11" - date_time_modified="2006-11-14 12:10:53" - approved="0" - record_id="113"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="352.156911" avge_mass="352.4518" - composition="H(24) C(16) N(4) O(3) S"> - <umod:element symbol="H" number="24"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="OxProBiotinRed" - full_name="Oxidized proline biotinylated with biotin-LC-hydrazide, reduced" - username_of_poster="S_Lee" - group_of_poster="users" - date_time_posted="2003-02-21 01:34:28" - date_time_modified="2006-11-14 12:11:11" - approved="0" - record_id="114"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="371.199111" avge_mass="371.4982" - composition="H(29) C(16) N(5) O(3) S"> - <umod:element symbol="H" number="29"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="N" number="5"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="OxProBiotin" - full_name="Oxidized Proline biotinylated with biotin-LC-hydrazide" - username_of_poster="S_Lee" - group_of_poster="users" - date_time_posted="2003-02-21 01:35:44" - date_time_modified="2006-11-14 12:11:17" - approved="0" - record_id="115"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="369.183461" avge_mass="369.4823" - composition="H(27) C(16) N(5) O(3) S"> - <umod:element symbol="H" number="27"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="N" number="5"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="OxArgBiotin" - full_name="Oxidized arginine biotinylated with biotin-LC-hydrazide" - username_of_poster="S_Lee" - group_of_poster="users" - date_time_posted="2003-02-21 01:41:19" - date_time_modified="2006-11-14 12:11:31" - approved="0" - record_id="116"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="310.135113" avge_mass="310.4118" - composition="H(22) C(15) N(2) O(3) S"> - <umod:element symbol="H" number="22"/> - <umod:element symbol="C" number="15"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Reference http://www.piercenet.com/Proteomics/browse.cfm?fldID=84EBE112-F871-4CA5-807F-47327153CFCB</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>http://web.indstate.edu/thcme/mwking/nitrogen-metabolism.html#urea</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="OxArgBiotinRed" - full_name="Oxidized arginine biotinylated with biotin-LC-hydrazide, reduced" - username_of_poster="S_Lee" - group_of_poster="users" - date_time_posted="2003-02-21 01:43:00" - date_time_modified="2006-11-14 12:11:35" - approved="0" - record_id="117"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="312.150763" avge_mass="312.4277" - composition="H(24) C(15) N(2) O(3) S"> - <umod:element symbol="H" number="24"/> - <umod:element symbol="C" number="15"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>http://web.indstate.edu/thcme/mwking/nitrogen-metabolism.html#urea</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>http://www.piercenet.com/Proteomics/browse.cfm?fldID=84EBE112-F871-4CA5-807F-47327153CFCB</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="EDT-iodoacetyl-PEO-biotin" full_name="EDT-iodo-PEO-biotin" - username_of_poster="take" - group_of_poster="users" - date_time_posted="2003-02-24 07:18:42" - date_time_modified="2006-10-16 17:01:15" - approved="1" - record_id="118"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="490.174218" avge_mass="490.7034" - composition="H(34) C(20) N(4) O(4) S(3)"> - <umod:element symbol="H" number="34"/> - <umod:element symbol="C" number="20"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="S" number="3"/> - </umod:delta> - </umod:mod> - <umod:mod title="GlyGly" full_name="ubiquitinylation residue" - username_of_poster="gielbert" - group_of_poster="users" - date_time_posted="2003-04-30 13:32:37" - date_time_modified="2008-04-21 18:24:57" - approved="1" - record_id="121"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Other" spec_group="3"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Other" spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Other" spec_group="4"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="114.042927" avge_mass="114.1026" composition="H(6) C(4) N(2) O(2)"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>glycineglycine</umod:alt_name> - <umod:xref> - <umod:text>Grou et al., J Biol Chem. 2008 Mar 22; Epub</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://www.jbc.org/cgi/content/abstract/M800402200v1</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Wang et al., J Cell Biol. 2007 May 21;177(4):613-24</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://www.ncbi.nlm.nih.gov/pubmed/17502423</umod:url> - </umod:xref> - <umod:xref> - <umod:text>12872131</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>The Ubiquitin System for Protein Modification and Degradation</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.nottingham.ac.uk/biochemcourses/students/ub/ubindex.html</umod:url> - </umod:xref> - <umod:misc_notes>The two glycine residues left on ubiquitinylated lysine after tryptic digestion</umod:misc_notes> - </umod:mod> - <umod:mod title="Formyl" full_name="Formylation" username_of_poster="pnacman" - group_of_poster="users" - date_time_posted="2003-05-01 13:28:36" - date_time_modified="2006-11-14 12:01:57" - approved="1" - record_id="122"> - <umod:specificity hidden="0" site="N-term" position="Protein N-term" - classification="Post-translational" - spec_group="5"> - <umod:misc_notes>A protein in which either the N-terminal N-formylmethionine has not been processed by the methionyl-tRNA formyltransferase or which is posttranslationally modified by the attachment of at least one formyl group.</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Artefact" - spec_group="4"> - <umod:misc_notes>Can occur under CNBr cleavage conditions (70% HCOOH)</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Artefact" - spec_group="1"> - <umod:misc_notes>Can occur under CNBr cleavage conditions (70% HCOOH)</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="N-term" position="Any N-term" classification="Artefact" - spec_group="2"> - <umod:misc_notes>Can occur under CNBr cleavage conditions (70% HCOOH)</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Artefact" - spec_group="3"> - <umod:misc_notes>Can occur under CNBr cleavage conditions (70% HCOOH)</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="27.994915" avge_mass="28.0101" composition="C O"> - <umod:element symbol="C" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0211</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15799070</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0021</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>FORM</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0384</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0057</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0384</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="ICAT-H" full_name="N-iodoacetyl, p-chlorobenzyl-12C6-glucamine" - username_of_poster="allis" - group_of_poster="users" - date_time_posted="2003-05-07 19:54:20" - date_time_modified="2006-10-16 16:02:00" - approved="1" - record_id="123"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="345.097915" avge_mass="345.7754" composition="H(20) C(15) N O(6) Cl"> - <umod:element symbol="H" number="20"/> - <umod:element symbol="C" number="15"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="Cl" number="1"/> - </umod:delta> - <umod:alt_name>Harbury glyco-ICAT C12</umod:alt_name> - <umod:xref> - <umod:text>Silverman, Harbury, J. Biol. Chem. 2002, 277, 34, pp. 30968-30975</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12185208</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="ICAT-H:13C(6)" full_name="N-iodoacetyl, p-chlorobenzyl-13C6-glucamine" - username_of_poster="allis" - group_of_poster="users" - date_time_posted="2003-05-07 19:56:12" - date_time_modified="2006-10-16 16:04:02" - approved="1" - record_id="124"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="351.118044" avge_mass="351.7313" - composition="H(20) C(9) 13C(6) N O(6) Cl"> - <umod:element symbol="H" number="20"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="Cl" number="1"/> - </umod:delta> - <umod:alt_name>Harbury glyco-ICAT C13</umod:alt_name> - <umod:xref> - <umod:text>Silverman, Harbury, J. Biol. Chem. 2002, 277, 34, pp. 30968-30975</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12185208</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Cation:K" full_name="Replacement of proton by potassium" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-10-15 18:29:43" - date_time_modified="2006-10-18 11:17:39" - approved="1" - record_id="530"> - <umod:specificity hidden="1" site="C-term" position="Any C-term" classification="Artefact" - spec_group="2"/> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Artefact" - spec_group="1"/> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Artefact" - spec_group="1"/> - <umod:delta mono_mass="37.955882" avge_mass="38.0904" composition="H(-1) K"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="K" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Thioacyl" full_name="thioacylation of primary amines (N-term and Lys)" - username_of_poster="rabah" - group_of_poster="users" - date_time_posted="2003-06-05 13:38:19" - date_time_modified="2006-10-16 12:37:13" - approved="1" - record_id="126"> - <umod:specificity hidden="1" site="N-term" position="Anywhere" classification="Other" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="87.998285" avge_mass="88.1283" composition="H(4) C(3) O S"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>3,3-Dithio-bis-(sulfosuccinimidyl)propionate</umod:alt_name> - <umod:xref> - <umod:text>Lomant, A.J. and Fairbanks, G., J.Mol. Biol. 104, 243-261 (1976)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Lee,W.T. and Conrad, D.H. 1985, J. Immunol. 134:518</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11710128</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>3155470</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>957432</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Fluoro" full_name="fluorophenylalanine replacement of phenylalanine" - username_of_poster="jschulte" - group_of_poster="users" - date_time_posted="2003-06-19 19:54:25" - date_time_modified="2007-07-08 18:42:53" - approved="1" - record_id="127"> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Non-standard residue" - spec_group="2"/> - <umod:specificity hidden="1" site="F" position="Anywhere" classification="Non-standard residue" - spec_group="1"/> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Non-standard residue" - spec_group="3"/> - <umod:delta mono_mass="17.990578" avge_mass="17.9905" composition="H(-1) F"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="F" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>1093385</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Fluorescein" - full_name="5-Iodoacetamidofluorescein (Molecular Probe, Eugene, OR)" - username_of_poster="Philip" - group_of_poster="users" - date_time_posted="2003-06-25 02:58:18" - date_time_modified="2006-10-16 16:42:41" - approved="1" - record_id="128"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="388.082112" avge_mass="388.3497" composition="H(14) C(22) N O(6)"> - <umod:element symbol="H" number="14"/> - <umod:element symbol="C" number="22"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="6"/> - </umod:delta> - <umod:xref> - <umod:text>5-iodoacetamidofluorescein, [63368-54-7]</umod:text> - <umod:source>CAS Registry</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>3578767</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Gorman, J. J., Eur. J. Biochem 1987, 168-9</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Gorman, J. J., Anal Biochem 1984, 160, 376</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>3311742</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Iodo" full_name="Iodination" username_of_poster="brettsp" - group_of_poster="users" - date_time_posted="2003-07-10 15:43:17" - date_time_modified="2006-10-16 13:38:03" - approved="1" - record_id="129"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="125.896648" avge_mass="125.8965" composition="H(-1) I"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="I" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>2026710</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15627961</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Diiodo" full_name="di-Iodination" username_of_poster="brettsp" - group_of_poster="users" - date_time_posted="2003-07-10 15:49:42" - date_time_modified="2006-10-16 15:45:24" - approved="1" - record_id="130"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="251.793296" avge_mass="251.7931" composition="H(-2) I(2)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="I" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>15627961</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Triiodo" full_name="tri-Iodination" username_of_poster="brettsp" - group_of_poster="users" - date_time_posted="2003-07-10 15:51:32" - date_time_modified="2006-10-16 16:36:49" - approved="1" - record_id="131"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="377.689944" avge_mass="377.6896" composition="H(-3) I(3)"> - <umod:element symbol="H" number="-3"/> - <umod:element symbol="I" number="3"/> - </umod:delta> - <umod:xref> - <umod:text>2026710</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15627961</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Myristoleyl" full_name="(cis-delta 5)-tetradecaenoyl" - username_of_poster="tomneubert" - group_of_poster="users" - date_time_posted="2003-07-18 21:30:51" - date_time_modified="2006-10-16 15:11:18" - approved="1" - record_id="134"> - <umod:specificity hidden="1" site="G" position="Protein N-term" classification="Co-translational" - spec_group="1"/> - <umod:delta mono_mass="208.182715" avge_mass="208.3398" composition="H(24) C(14) O"> - <umod:element symbol="H" number="24"/> - <umod:element symbol="C" number="14"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>myristoyl with one double bond</umod:alt_name> - <umod:alt_name>C14:1 acylation</umod:alt_name> - <umod:xref> - <umod:text>Neubert TA, Johnson RS, Hurley JB, Walsh KA (1992). The rod transducin alpha subunit amino terminus is heterogeneously fatty acylated. J Biol Chem. 267(26):18274-7.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>1326520</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Found on vision signal transduction proteins</umod:misc_notes> - </umod:mod> - <umod:mod title="Pro->Pyrrolidinone" full_name="Proline oxidation to pyrrolidinone" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 23:00:19" - date_time_modified="2006-10-13 15:37:42" - approved="1" - record_id="360"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="-30.010565" avge_mass="-30.0260" composition="H(-2) C(-1) O(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="O" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>9252331</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Myristoyl+Delta:H(-4)" - full_name="(cis,cis-delta 5, delta 8)-tetradecadienoyl" - username_of_poster="tomneubert" - group_of_poster="users" - date_time_posted="2003-07-18 21:36:44" - date_time_modified="2006-10-16 15:10:51" - approved="1" - record_id="135"> - <umod:specificity hidden="1" site="G" position="Protein N-term" classification="Co-translational" - spec_group="1"/> - <umod:delta mono_mass="206.167065" avge_mass="206.3239" composition="H(22) C(14) O"> - <umod:element symbol="H" number="22"/> - <umod:element symbol="C" number="14"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>myristoyl with 2 double bonds</umod:alt_name> - <umod:alt_name>C14:2 fatty acylation</umod:alt_name> - <umod:xref> - <umod:text>Neubert TA, Johnson RS, Hurley JB, Walsh KA (1992). The rod transducin alpha subunit amino terminus is heterogeneously fatty acylated. J Biol Chem. 267(26):18274-7.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>1326520</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Found on vision signal transduction proteins</umod:misc_notes> - </umod:mod> - <umod:mod title="Benzoyl" full_name="labeling reagent light form (N-term & K)" - username_of_poster="samirjulka" - group_of_poster="users" - date_time_posted="2003-07-31 22:24:05" - date_time_modified="2006-10-16 12:41:22" - approved="1" - record_id="136"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="104.026215" avge_mass="104.1061" composition="H(4) C(7) O"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Julka,S.Regnier,F.E Anal Chem. 2004 Oct 1;76(19):5799-806.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15456300</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Hex(5)HexNAc(2)" full_name="N-linked glycan core" - username_of_poster="tpjd2" - group_of_poster="users" - date_time_posted="2003-08-06 11:31:37" - date_time_modified="2006-10-16 17:22:04" - approved="1" - record_id="137"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="1216.422863" avge_mass="1217.0880" composition="Hex(5) HexNAc(2)"> - <umod:element symbol="H" number="76"/> - <umod:element symbol="C" number="46"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="35"/> - </umod:delta> - <umod:alt_name>Man5</umod:alt_name> - <umod:misc_notes>Core structure of high-mannose N-linked oligosaccharides</umod:misc_notes> - </umod:mod> - <umod:mod title="Dansyl" full_name="5-dimethylaminonaphthalene-1-sulfonyl" - username_of_poster="allis" - group_of_poster="users" - date_time_posted="2003-08-19 02:51:24" - date_time_modified="2006-10-16 15:36:09" - approved="1" - record_id="139"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="233.051049" avge_mass="233.2862" composition="H(11) C(12) N O(2) S"> - <umod:element symbol="H" number="11"/> - <umod:element symbol="C" number="12"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>dansyl chloride [605-65-2]</umod:text> - <umod:source>CAS Registry</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="a-type-ion" full_name="ISD a-series (C-Term)" - username_of_poster="suckau" - group_of_poster="users" - date_time_posted="2003-09-02 16:17:09" - date_time_modified="2006-10-14 07:46:22" - approved="1" - record_id="140"> - <umod:specificity hidden="1" site="C-term" position="Any C-term" classification="Other" - spec_group="1"> - <umod:misc_notes>Virtual Modification for MS/MS of a-type ions</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="-29.002740" avge_mass="-29.0180" composition="H(-1) C(-1) O(-1)"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="O" number="-1"/> - </umod:delta> - <umod:alt_name>Decarboxylation of C-terminus as reaction inside the mass spectrometer</umod:alt_name> - <umod:xref> - <umod:text>14588022</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>D. Suckau, A. Resemann, Anal. Chem., 75(21):5817-24 (2003)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>MS/MS experiments of mass spectrometric a-ions (MS^3) can be used for protein identification by library searching. T3-sequencing is such a technique (see reference). Search engines must recognize this \'virtual modification\' for this purpose.</umod:misc_notes> - </umod:mod> - <umod:mod title="Amidine" - full_name="amidination of lysines or N-terminal amines with methyl acetimidate" - username_of_poster="pnacman" - group_of_poster="users" - date_time_posted="2003-09-25 11:04:41" - date_time_modified="2006-10-15 18:32:25" - approved="1" - record_id="141"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="41.026549" avge_mass="41.0519" composition="H(3) C(2) N"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>ASMS 2004 abstract</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.indiana.edu/~reillyjp/ASMS2004/janecki_Ext-Abs%20Amidination.pdf</umod:url> - </umod:xref> - <umod:xref> - <umod:text>12643539</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>6273432</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="HexNAc(1)dHex(1)" full_name="HexNAc1dHex1" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:28:45" - date_time_modified="2006-10-16 16:03:39" - approved="1" - record_id="142"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="349.137281" avge_mass="349.3337" composition="dHex HexNAc"> - <umod:element symbol="H" number="23"/> - <umod:element symbol="C" number="14"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="9"/> - </umod:delta> - </umod:mod> - <umod:mod title="HexNAc(2)" full_name="HexNAc2" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:37:55" - date_time_modified="2006-10-16 16:43:09" - approved="1" - record_id="143"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="406.158745" avge_mass="406.3850" composition="HexNAc(2)"> - <umod:element symbol="H" number="26"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="10"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(3)" full_name="Hex3" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:39:30" - date_time_modified="2006-10-16 16:59:36" - approved="1" - record_id="144"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="486.158471" avge_mass="486.4218" composition="Hex(3)"> - <umod:element symbol="H" number="30"/> - <umod:element symbol="C" number="18"/> - <umod:element symbol="O" number="15"/> - </umod:delta> - </umod:mod> - <umod:mod title="HexNAc(1)dHex(2)" full_name="HexNAc1dHex2" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:40:57" - date_time_modified="2006-10-16 17:01:52" - approved="1" - record_id="145"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="495.195190" avge_mass="495.4749" composition="dHex(2) HexNAc"> - <umod:element symbol="H" number="33"/> - <umod:element symbol="C" number="20"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="13"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(1)HexNAc(1)dHex(1)" full_name="Hex1HexNAc1dHex1" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:42:27" - date_time_modified="2006-10-16 17:02:06" - approved="1" - record_id="146"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="511.190105" avge_mass="511.4743" composition="dHex Hex HexNAc"> - <umod:element symbol="H" number="33"/> - <umod:element symbol="C" number="20"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="14"/> - </umod:delta> - </umod:mod> - <umod:mod title="HexNAc(2)dHex(1)" full_name="HexNAc2dHex1" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:44:18" - date_time_modified="2006-10-16 17:04:11" - approved="1" - record_id="147"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="552.216654" avge_mass="552.5262" composition="dHex HexNAc(2)"> - <umod:element symbol="H" number="36"/> - <umod:element symbol="C" number="22"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="14"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(1)HexNAc(2)" full_name="Hex1HexNAc2" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:48:18" - date_time_modified="2006-10-16 17:04:35" - approved="1" - record_id="148"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="568.211569" avge_mass="568.5256" composition="Hex HexNAc(2)"> - <umod:element symbol="H" number="36"/> - <umod:element symbol="C" number="22"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="15"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(1)HexNAc(1)NeuAc(1)" full_name="Hex1HexNAc1NeuAc1" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:51:19" - date_time_modified="2007-10-20 19:29:29" - approved="1" - record_id="149"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="O-linked glycosylation" - spec_group="3"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="O-linked glycosylation" - spec_group="2"/> - <umod:delta mono_mass="656.227613" avge_mass="656.5877" composition="Hex HexNAc NeuAc"> - <umod:element symbol="H" number="40"/> - <umod:element symbol="C" number="25"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="18"/> - </umod:delta> - <umod:xref> - <umod:text>Saito T., Itoh T.; Journal of dairy Science, 75 (1992). p1768.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="HexNAc(2)dHex(2)" full_name="HexNAc2dHex2" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:52:36" - date_time_modified="2006-10-16 17:11:45" - approved="1" - record_id="150"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="698.274563" avge_mass="698.6674" composition="dHex(2) HexNAc(2)"> - <umod:element symbol="H" number="46"/> - <umod:element symbol="C" number="28"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="18"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(1)HexNAc(2)Pent(1)" full_name="Hex1HexNAc2Pent1" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:53:29" - date_time_modified="2006-10-16 17:12:02" - approved="1" - record_id="151"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="700.253828" avge_mass="700.6403" composition="Pent Hex HexNAc(2)"> - <umod:element symbol="H" number="44"/> - <umod:element symbol="C" number="27"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="19"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(1)HexNAc(2)dHex(1)" full_name="Hex1HexNAc2dHex1" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:54:18" - date_time_modified="2006-10-16 17:12:59" - approved="1" - record_id="152"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="714.269478" avge_mass="714.6668" composition="dHex Hex HexNAc(2)"> - <umod:element symbol="H" number="46"/> - <umod:element symbol="C" number="28"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="19"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(2)HexNAc(2)" full_name="Hex2HexNAc2" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:55:08" - date_time_modified="2006-10-16 17:13:17" - approved="1" - record_id="153"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="730.264392" avge_mass="730.6662" composition="Hex(2) HexNAc(2)"> - <umod:element symbol="H" number="46"/> - <umod:element symbol="C" number="28"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="20"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(3)HexNAc(1)Pent(1)" full_name="Hex3HexNAc1Pent1" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:56:02" - date_time_modified="2006-10-16 17:18:03" - approved="1" - record_id="154"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="821.280102" avge_mass="821.7289" composition="Pent Hex(3) HexNAc"> - <umod:element symbol="H" number="51"/> - <umod:element symbol="C" number="31"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="24"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(1)HexNAc(2)dHex(1)Pent(1)" full_name="Hex1HexNAc2dHex1Pent1" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:57:01" - date_time_modified="2006-10-16 17:18:41" - approved="1" - record_id="155"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="846.311736" avge_mass="846.7815" - composition="Pent dHex Hex HexNAc(2)"> - <umod:element symbol="H" number="54"/> - <umod:element symbol="C" number="33"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="23"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(1)HexNAc(2)dHex(2)" full_name="Hex1HexNAc2dHex2" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:57:52" - date_time_modified="2006-10-16 17:18:56" - approved="1" - record_id="156"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="860.327386" avge_mass="860.8080" composition="dHex(2) Hex HexNAc(2)"> - <umod:element symbol="H" number="56"/> - <umod:element symbol="C" number="34"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="23"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(2)HexNAc(2)Pent(1)" full_name="Hex2HexNAc2Pent1" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:58:38" - date_time_modified="2006-10-16 17:19:11" - approved="1" - record_id="157"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="862.306651" avge_mass="862.7809" composition="Pent Hex(2) HexNAc(2)"> - <umod:element symbol="H" number="54"/> - <umod:element symbol="C" number="33"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="24"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(2)HexNAc(2)dHex(1)" full_name="Hex2HexNAc2dHex1" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:59:18" - date_time_modified="2006-10-16 17:19:27" - approved="1" - record_id="158"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="876.322301" avge_mass="876.8074" composition="dHex Hex(2) HexNAc(2)"> - <umod:element symbol="H" number="56"/> - <umod:element symbol="C" number="34"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="24"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(3)HexNAc(2)" full_name="Hex3HexNAc2" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 12:59:59" - date_time_modified="2006-10-16 17:19:58" - approved="1" - record_id="159"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="892.317216" avge_mass="892.8068" composition="Hex(3) HexNAc(2)"> - <umod:element symbol="H" number="56"/> - <umod:element symbol="C" number="34"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="25"/> - </umod:delta> - <umod:alt_name>chitobiose core</umod:alt_name> - </umod:mod> - <umod:mod title="Hex(1)HexNAc(1)NeuAc(2)" full_name="Hex1HexNAc1NeuAc2" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 13:01:06" - date_time_modified="2007-10-20 19:30:21" - approved="1" - record_id="160"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="O-linked glycosylation" - spec_group="3"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="O-linked glycosylation" - spec_group="2"/> - <umod:delta mono_mass="947.323029" avge_mass="947.8423" composition="Hex HexNAc NeuAc(2)"> - <umod:element symbol="H" number="57"/> - <umod:element symbol="C" number="36"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="26"/> - </umod:delta> - <umod:xref> - <umod:text>Saito T., Itoh T.; Journal of dairy Science, 75 (1992). p1768.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Hex(3)HexNAc(2)P(1)" full_name="Hex3HexNAc2P1" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2003-09-29 13:02:02" - date_time_modified="2006-10-16 17:20:48" - approved="1" - record_id="161"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="923.290978" avge_mass="923.7806" composition="P Hex(3) HexNAc(2)"> - <umod:element symbol="H" number="56"/> - <umod:element symbol="C" number="34"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="25"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Delta:S(-1)Se(1)" full_name="Selenium replaces sulphur" - username_of_poster="pnacman" - group_of_poster="users" - date_time_posted="2003-10-14 11:24:28" - date_time_modified="2006-10-16 10:11:58" - approved="1" - record_id="162"> - <umod:specificity hidden="1" site="M" position="Anywhere" classification="Non-standard residue" - spec_group="1"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Non-standard residue" - spec_group="2"> - <umod:misc_notes>Selenocysteine conventionally represented by 1 letter code U</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="47.944449" avge_mass="46.8950" composition="S(-1) Se"> - <umod:element symbol="S" number="-1"/> - <umod:element symbol="Se" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>12148805</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0022</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="NBS:13C(6)" full_name="Shimadzu NBS-13C" username_of_poster="kuyama" - group_of_poster="users" - date_time_posted="2004-01-07 07:22:34" - date_time_modified="2007-08-31 10:35:22" - approved="0" - record_id="171"> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="159.008578" avge_mass="159.1144" composition="H(3) 13C(6) N O(2) S"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>NBS reagent heavy</umod:alt_name> - <umod:xref> - <umod:text>Rapid Communications in Mass Spectrometry, 17, 1642-1650 (2003)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12845591</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Methyl:2H(3)13C(1)" full_name="monomethylated arginine" - username_of_poster="sams" - group_of_poster="users" - date_time_posted="2005-06-30 18:19:34" - date_time_modified="2006-10-14 19:40:53" - approved="1" - record_id="329"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="18.037835" avge_mass="18.0377" composition="H(-1) 2H(3) 13C"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="2H" number="3"/> - <umod:element symbol="13C" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Identifying and quantifying in vivo methylation sites by heavy methyl SILAC, Shao-En Ong et al., Nature methods 1(2) 2004, 1-8</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Dimethyl:2H(6)13C(2)" full_name="dimethylated arginine" - username_of_poster="sams" - group_of_poster="users" - date_time_posted="2005-06-30 18:21:32" - date_time_modified="2006-10-15 18:26:53" - approved="1" - record_id="330"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="36.075670" avge_mass="36.0754" composition="H(-2) 2H(6) 13C(2)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="2H" number="6"/> - <umod:element symbol="13C" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>Identifying and quantifying in vivo methylation sites by heavy methyl SILAC, Shao-En Ong et al., Nature Methods 1(2) 1-8</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="NBS" full_name="Shimadzu NBS-12C" username_of_poster="kuyama" - group_of_poster="users" - date_time_posted="2004-01-07 07:25:07" - date_time_modified="2007-08-31 10:34:53" - approved="0" - record_id="172"> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="152.988449" avge_mass="153.1585" composition="H(3) C(6) N O(2) S"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>2-nitrobenzenesulfenyl</umod:alt_name> - <umod:xref> - <umod:text>12845591</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Rapid Communications in Mass Spectrometry, 17, 1642-1650 (2003)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Delta:H(1)O(-1)18O(1)" full_name="glycosylated asparagine 18O labeling" - username_of_poster="lobvi" - group_of_poster="users" - date_time_posted="2003-12-11 18:24:58" - date_time_modified="2006-10-14 09:36:39" - approved="1" - record_id="170"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="3.012071" avge_mass="3.0077" composition="H O(-1) 18O"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="18O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>1443554</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Anal. Biochem. 1992, 205:151-158</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Conversion of glycosylated asparagine residues upon deglycosylation with PGNase F in 18O labelled water.</umod:misc_notes> - </umod:mod> - <umod:mod title="QAT" full_name="APTA-d0" username_of_poster="s_julka" - group_of_poster="users" - date_time_posted="2004-04-08 17:12:14" - date_time_modified="2006-10-16 15:01:07" - approved="1" - record_id="195"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="170.141913" avge_mass="170.2520" composition="H(18) C(9) N(2) O"> - <umod:element symbol="H" number="18"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>(3-acrylamidopropyl)trimethylammonium</umod:alt_name> - <umod:xref> - <umod:text>15283597</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="BHT" - full_name="Michael addition of BHT quinone methide to Cysteine and Lysine" - username_of_poster="gonzo" - group_of_poster="users" - date_time_posted="2004-02-05 22:02:53" - date_time_modified="2006-10-16 15:19:41" - approved="1" - record_id="176"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Other" spec_group="2"> - <umod:misc_notes>Secondary adduct - much less common as C</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="1"> - <umod:misc_notes>Secondary adduct - much less common as C</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Other" spec_group="3"> - <umod:misc_notes>Primary adduct formed</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="218.167065" avge_mass="218.3346" composition="H(22) C(15) O"> - <umod:element symbol="H" number="22"/> - <umod:element symbol="C" number="15"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>Butylated Hydroxytoluene</umod:alt_name> - <umod:xref> - <umod:text>9448752</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>BHT metabolism has been studied in rats and mice in relation to tumor promotion.</umod:misc_notes> - </umod:mod> - <umod:mod title="Delta:H(4)C(2)O(-1)S(1)" full_name="S-Ethylcystine from Serine" - username_of_poster="UCDMSF" - group_of_poster="users" - date_time_posted="2005-06-20 20:09:02" - date_time_modified="2006-10-16 10:00:57" - approved="1" - record_id="327"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="44.008456" avge_mass="44.1188" composition="H(4) C(2) O(-1) S"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>2005 ASMS poster Presentation TP 527</umod:text> - <umod:source>Other</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Phosphoserine to S-ethylcystine\r\nvia Beta elimination/Michael addition of ethylthiol</umod:misc_notes> - </umod:mod> - <umod:mod title="DAET" full_name="phosphorylation to amine thiol" - username_of_poster="chemgirl18" - group_of_poster="users" - date_time_posted="2004-02-11 20:34:16" - date_time_modified="2006-10-16 12:34:48" - approved="1" - record_id="178"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="87.050655" avge_mass="87.1866" composition="H(9) C(4) N O(-1) S"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>b-elimination thiol derivatization</umod:alt_name> - <umod:xref> - <umod:text>12216740</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>DAET = 2-(dimethylamino)ethanethiol; The phosphorylation to amine is the beta elimination of phosphate and Michael addition of 2-(dimethylamino)ethanethiol to the site.</umod:misc_notes> - </umod:mod> - <umod:mod title="Pro->Pyrrolidone" full_name="Pyrrolidone from Proline" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-02 17:39:05" - date_time_modified="2006-11-14 11:12:17" - approved="0" - record_id="369"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="-27.994915" avge_mass="-28.0101" composition="C(-1) O(-1)"> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="O" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>9252331</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Label:13C(9)" full_name="13C(9) Silac label" username_of_poster="hs" - group_of_poster="users" - date_time_posted="2004-02-16 21:19:47" - date_time_modified="2007-08-22 18:31:52" - approved="1" - record_id="184"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>Used in SILAC experiment</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="F" position="Anywhere" classification="Isotopic label" - spec_group="2"/> - <umod:delta mono_mass="9.030193" avge_mass="8.9339" composition="C(-9) 13C(9)"> - <umod:element symbol="C" number="-9"/> - <umod:element symbol="13C" number="9"/> - </umod:delta> - <umod:alt_name>heavy tyrosine</umod:alt_name> - <umod:xref> - <umod:text>Ong, S-E, I. Kratchmarova, and M. Mann (2003). J Proteome Research 2: 173-181</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Silac introduction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>12716131</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Label:13C(9)+Phospho" full_name="C13 label (Phosphotyrosine)" - username_of_poster="hs" - group_of_poster="users" - date_time_posted="2004-02-22 04:42:33" - date_time_modified="2006-10-16 12:37:51" - approved="1" - record_id="185"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>Used in SILAC experiment</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="88.996524" avge_mass="88.9138" composition="H C(-9) 13C(9) O(3) P"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="-9"/> - <umod:element symbol="13C" number="9"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:alt_name>heavy phosphotyrosine</umod:alt_name> - <umod:xref> - <umod:text>12716131</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Ong, S-E, I. Kratchmarova, and M. Mann (2003). J Proteome Research 2: 173-181</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Silac introduction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Label:13C(6)" full_name="13C(6) Silac label" username_of_poster="hs" - group_of_poster="users" - date_time_posted="2004-02-28 19:54:10" - date_time_modified="2007-08-22 18:29:56" - approved="1" - record_id="188"> - <umod:specificity hidden="1" site="I" position="Anywhere" classification="Isotopic label" - spec_group="5"> - <umod:misc_notes>Used in SILAC experiment</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="L" position="Anywhere" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>Used in SILAC experiment</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="2"> - <umod:misc_notes>Used in SILAC experiment</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>Used in SILAC experiment</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="6.020129" avge_mass="5.9559" composition="C(-6) 13C(6)"> - <umod:element symbol="C" number="-6"/> - <umod:element symbol="13C" number="6"/> - </umod:delta> - <umod:xref> - <umod:text>Ong, S-E, I. Kratchmarova, and M. Mann (2003). J Proteome Research 2: 173-181</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Silac introduction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>12716131</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="HPG" full_name="Hydroxyphenylglyoxal arginine" - username_of_poster="gcarven" - group_of_poster="users" - date_time_posted="2004-02-26 20:19:25" - date_time_modified="2006-10-17 11:46:39" - approved="1" - record_id="186"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="132.021129" avge_mass="132.1162" composition="H(4) C(8) O(2)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="8"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>HPG arginine</umod:alt_name> - <umod:xref> - <umod:text>11698400</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11914093</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="2HPG" full_name="2 Hydroxyphenylglyoxal arginine" - username_of_poster="gcarven" - group_of_poster="users" - date_time_posted="2004-02-26 22:05:25" - date_time_modified="2006-10-17 11:46:56" - approved="1" - record_id="187"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="282.052824" avge_mass="282.2476" composition="H(10) C(16) O(5)"> - <umod:element symbol="H" number="10"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="O" number="5"/> - </umod:delta> - <umod:alt_name>2 HPG arginine</umod:alt_name> - <umod:xref> - <umod:text>11698400</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>OH-PGO and PGO react with arginine at a stoichiometry of 2:1</umod:misc_notes> - </umod:mod> - <umod:mod title="QAT:2H(3)" full_name="APTA d3" username_of_poster="s_julka" - group_of_poster="users" - date_time_posted="2004-04-08 17:15:04" - date_time_modified="2006-10-16 15:01:35" - approved="1" - record_id="196"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="174.168569" avge_mass="174.2784" - composition="H(16) 2H(3) C(9) N(2) O"> - <umod:element symbol="H" number="16"/> - <umod:element symbol="2H" number="3"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>(3-acrylamidopropyl)trimethylammonium</umod:alt_name> - <umod:xref> - <umod:text>15283597</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Label:18O(2)" full_name="O18 label at both C-terminal oxygens" - username_of_poster="Hensbergen" - group_of_poster="users" - date_time_posted="2004-03-30 14:20:29" - date_time_modified="2006-11-14 12:01:04" - approved="1" - record_id="193"> - <umod:specificity hidden="0" site="C-term" position="Any C-term" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="4.008491" avge_mass="3.9995" composition="O(-2) 18O(2)"> - <umod:element symbol="O" number="-2"/> - <umod:element symbol="18O" number="2"/> - </umod:delta> - <umod:alt_name>Double O18 (C-term)</umod:alt_name> - <umod:xref> - <umod:text>11467524</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="AccQTag" full_name="6-aminoquinolyl-N-hydroxysuccinimidyl carbamate" - username_of_poster="davidcreasy" - group_of_poster="users" - date_time_posted="2004-04-08 12:01:19" - date_time_modified="2006-10-16 14:59:12" - approved="1" - record_id="194"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="170.048013" avge_mass="170.1674" composition="H(6) C(10) N(2) O"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Waters Application Note 930494</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www2.waters.com/watprod.nsf/newdocs/930494</umod:url> - </umod:xref> - <umod:xref> - <umod:text>14997490</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Hochleitner, E. O. et al, Proteomics 2004, 4, 669-676,</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Dimethyl:2H(4)" full_name="DiMethyl-CHD2" username_of_poster="PhilipHsu" - group_of_poster="users" - date_time_posted="2004-04-20 07:07:29" - date_time_modified="2006-10-15 18:24:07" - approved="1" - record_id="199"> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" - classification="Isotopic label" - spec_group="3"/> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="32.056407" avge_mass="32.0778" composition="2H(4) C(2)"> - <umod:element symbol="2H" number="4"/> - <umod:element symbol="C" number="2"/> - </umod:delta> - <umod:alt_name>reductive amination</umod:alt_name> - <umod:xref> - <umod:text>Anal Chem 2003. 75, 6843</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>14670044</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Jue-Liang Hsu, Sheng-Yu Huang, and Shu-Hui Chen. Stable-Isotope based Multiplex Labeling Coupled with LC-MS/MS, HUPO 3rd ANNUAL WORLD CONGRESS, Bejing (China) 2004</umod:text> - <umod:source>Book</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="EQAT" full_name="EAPTA d0" username_of_poster="s_julka" - group_of_poster="users" - date_time_posted="2004-04-08 17:21:08" - date_time_modified="2006-10-16 15:05:02" - approved="1" - record_id="197"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="184.157563" avge_mass="184.2786" composition="H(20) C(10) N(2) O"> - <umod:element symbol="H" number="20"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="EQAT:2H(5)" full_name="EAPTA d5" username_of_poster="s_julka" - group_of_poster="users" - date_time_posted="2004-04-08 17:25:24" - date_time_modified="2006-10-16 15:07:31" - approved="1" - record_id="198"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="189.188947" avge_mass="189.3094" - composition="H(15) 2H(5) C(10) N(2) O"> - <umod:element symbol="H" number="15"/> - <umod:element symbol="2H" number="5"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ethanedithiol" full_name="EDT" username_of_poster="take" - group_of_poster="users" - date_time_posted="2004-04-20 08:27:30" - date_time_modified="2006-10-16 11:07:38" - approved="1" - record_id="200"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="75.980527" avge_mass="76.1838" composition="H(4) C(2) O(-1) S(2)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>11507762</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="NEIAA:2H(5)" full_name="N-ethyl iodoacetamide-d5" - username_of_poster="Botting" - group_of_poster="users" - date_time_posted="2004-05-18 11:11:52" - date_time_modified="2006-10-16 12:38:09" - approved="1" - record_id="212"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="90.084148" avge_mass="90.1353" composition="H(2) 2H(5) C(4) N O"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="2H" number="5"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>12766232</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Delta:H(6)C(6)O(1)" full_name="Acrolein addition +94" - username_of_poster="fatcat" - group_of_poster="users" - date_time_posted="2004-05-06 18:54:17" - date_time_modified="2006-10-16 12:38:28" - approved="1" - record_id="205"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="94.041865" avge_mass="94.1112" composition="H(6) C(6) O"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>Acrolein94, FDP</umod:alt_name> - </umod:mod> - <umod:mod title="Delta:H(4)C(3)O(1)" full_name="Acrolein addition +56" - username_of_poster="fatcat" - group_of_poster="users" - date_time_posted="2004-05-06 18:55:58" - date_time_modified="2006-10-16 10:16:29" - approved="1" - record_id="206"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="3"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Other" spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="56.026215" avge_mass="56.0633" composition="H(4) C(3) O"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>Acrolein56</umod:alt_name> - <umod:xref> - <umod:text>10825247</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15541752</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Delta:H(2)C(3)" full_name="Acrolein addition +38" - username_of_poster="fatcat" - group_of_poster="users" - date_time_posted="2004-05-06 18:57:08" - date_time_modified="2006-10-15 18:30:31" - approved="1" - record_id="207"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="38.015650" avge_mass="38.0480" composition="H(2) C(3)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="3"/> - </umod:delta> - <umod:alt_name>Acrolein38</umod:alt_name> - </umod:mod> - <umod:mod title="Delta:H(4)C(6)" full_name="Acrolein addition +76" - username_of_poster="fatcat" - group_of_poster="users" - date_time_posted="2004-05-06 18:59:23" - date_time_modified="2006-10-16 11:08:13" - approved="1" - record_id="208"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="76.031300" avge_mass="76.0960" composition="H(4) C(6)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="6"/> - </umod:delta> - <umod:alt_name>Acrolein76</umod:alt_name> - </umod:mod> - <umod:mod title="Delta:H(8)C(6)O(2)" full_name="Acrolein addition +112" - username_of_poster="fatcat" - group_of_poster="users" - date_time_posted="2004-05-06 19:00:25" - date_time_modified="2006-10-16 12:46:03" - approved="1" - record_id="209"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="112.052430" avge_mass="112.1265" composition="H(8) C(6) O(2)"> - <umod:element symbol="H" number="8"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>Acrolein112</umod:alt_name> - </umod:mod> - <umod:mod title="ADP-Ribosyl" full_name="ADP Ribose addition" - username_of_poster="ionjockey" - group_of_poster="users" - date_time_posted="2004-05-27 20:53:37" - date_time_modified="2006-10-16 17:03:46" - approved="1" - record_id="213"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Other glycosylation" - spec_group="5"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Other glycosylation" - spec_group="4"/> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="Other glycosylation" - spec_group="3"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Other glycosylation" - spec_group="2"/> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Other glycosylation" - spec_group="1"/> - <umod:delta mono_mass="541.061110" avge_mass="541.3005" - composition="H(21) C(15) N(5) O(13) P(2)"> - <umod:element symbol="H" number="21"/> - <umod:element symbol="C" number="15"/> - <umod:element symbol="N" number="5"/> - <umod:element symbol="O" number="13"/> - <umod:element symbol="P" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>AA0237</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0169</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Structure</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://betelgeuse.u-strasbg.fr/DocPARP/DocPARG/images/Structure-pADPR.jpg</umod:url> - </umod:xref> - <umod:xref> - <umod:text>AA0168</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0231</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15842200</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0295</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>ADP</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="NEIAA" full_name="N-ethyl iodoacetamide-d0" username_of_poster="Botting" - group_of_poster="users" - date_time_posted="2004-05-18 11:10:37" - date_time_modified="2006-10-16 12:15:11" - approved="1" - record_id="211"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="85.052764" avge_mass="85.1045" composition="H(7) C(4) N O"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>12766232</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="iTRAQ4plex" - full_name="Representative mass and accurate mass for 116 & 117" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2004-06-08 14:04:07" - date_time_modified="2006-11-14 11:06:16" - approved="0" - record_id="214"> - <umod:specificity hidden="0" site="Y" position="Anywhere" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>Low abundance</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="0" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="144.102063" avge_mass="144.1544" - composition="H(12) C(4) 13C(3) N 15N O"> - <umod:element symbol="H" number="12"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="13C" number="3"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="15N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>AKA iTRAQ4plex116/7</umod:alt_name> - <umod:alt_name>Applied Biosystems iTRAQ(TM) multiplexed quantitation chemistry</umod:alt_name> - <umod:xref> - <umod:text>Applied Biosystems Chemistry Reference Guide</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://docs.appliedbiosystems.com/pebiodocs/04351918.pdf</umod:url> - </umod:xref> - <umod:misc_notes>Different channels have the same nominal mass but slightly different exact masses. Use this value for all channels for quantitation purposes</umod:misc_notes> - </umod:mod> - <umod:mod title="Crotonaldehyde" full_name="Crotonaldehyde" username_of_poster="fatcat" - group_of_poster="users" - date_time_posted="2004-08-12 19:56:03" - date_time_modified="2006-10-16 10:35:31" - approved="1" - record_id="253"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="3"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Other" spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="70.041865" avge_mass="70.0898" composition="H(6) C(4) O"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>11283024</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Bromo" full_name="bromination" username_of_poster="gerribe" - group_of_poster="users" - date_time_posted="2005-09-06 08:31:51" - date_time_modified="2006-10-16 11:10:31" - approved="1" - record_id="340"> - <umod:specificity hidden="1" site="F" position="Anywhere" classification="Post-translational" - spec_group="3"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="77.910511" avge_mass="78.8961" composition="H(-1) Br"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="Br" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>BROM</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0179</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0180</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0173</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0176</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0175</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0174</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>9033387</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Amino" full_name="Tyrosine oxidation to 2-aminotyrosine" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 21:18:23" - date_time_modified="2006-10-14 10:39:53" - approved="1" - record_id="342"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="15.010899" avge_mass="15.0146" composition="H N"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="N" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>9252331</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Argbiotinhydrazide" - full_name="oxidized Arginine biotinylated with biotin hydrazide" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 22:36:58" - date_time_modified="2006-11-14 12:10:30" - approved="0" - record_id="343"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="199.066699" avge_mass="199.2700" composition="H(13) C(9) N O(2) S"> - <umod:element symbol="H" number="13"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Yoo, Byoung-Sam; Regnier, Fred E. Electrophoresis (2004), 25(9), 1334-1341.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15828771</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Label:18O(1)" full_name="O18 Labeling" username_of_poster="chemgirl18" - group_of_poster="users" - date_time_posted="2004-08-27 21:57:17" - date_time_modified="2006-10-13 18:53:41" - approved="1" - record_id="258"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>alkaline phosphatase to dephosphorylate</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Isotopic label" - spec_group="2"> - <umod:misc_notes>alkaline phosphatase to dephosphorylate</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>alkaline phosphatase to dephosphorylate</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="C-term" position="Any C-term" classification="Isotopic label" - spec_group="4"> - <umod:misc_notes>digesting in labelled water</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="2.004246" avge_mass="1.9998" composition="O(-1) 18O"> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="18O" number="1"/> - </umod:delta> - <umod:alt_name>H2 18O Alkaline Phosphatase</umod:alt_name> - <umod:xref> - <umod:text>11467524</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Label:13C(6)15N(2)" full_name="13C(6) 15N(2) Silac label" - username_of_poster="hs01" - group_of_poster="users" - date_time_posted="2004-08-30 16:23:02" - date_time_modified="2006-10-19 10:30:33" - approved="1" - record_id="259"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>Used in SILAC experiment</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="8.014199" avge_mass="7.9427" composition="C(-6) 13C(6) N(-2) 15N(2)"> - <umod:element symbol="C" number="-6"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="N" number="-2"/> - <umod:element symbol="15N" number="2"/> - </umod:delta> - <umod:alt_name>heavy lysine</umod:alt_name> - <umod:xref> - <umod:text>Silac introduction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>12716131</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Thiophospho" full_name="Thiophosphorylation" - username_of_poster="mrbladergroen" - group_of_poster="users" - date_time_posted="2004-09-01 13:20:58" - date_time_modified="2006-10-16 12:38:48" - approved="1" - record_id="260"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Other" spec_group="3"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Other" spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="95.943487" avge_mass="96.0455" composition="H O(2) P S"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="P" number="1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>12110917</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="SPITC" full_name="4-sulfophenyl isothiocyanate" - username_of_poster="hatlevig" - group_of_poster="users" - date_time_posted="2004-09-14 20:01:29" - date_time_modified="2006-10-16 15:26:00" - approved="1" - record_id="261"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:delta mono_mass="214.971084" avge_mass="215.2495" composition="H(5) C(7) N O(3) S(2)"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="2"/> - </umod:delta> - <umod:alt_name>N-terminal / lysine sulfonation</umod:alt_name> - <umod:xref> - <umod:text>Wang et al. 2004. Rapid Commun Mass Spectrom. 18(1):96-102</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Chen et. al. Rapid Commun Mass Spectrom. 2004;18(2):191-8.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Shimadzu application note</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.shimadzu-biotech.net/literature/application_note/202_1.pdf</umod:url> - </umod:xref> - <umod:xref> - <umod:text>14745769</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>14689565</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>16526082</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="IGBP" full_name="Light IDBEST tag for quantitation" - username_of_poster="zqiao" - group_of_poster="users" - date_time_posted="2004-07-26 23:02:04" - date_time_modified="2006-10-19 11:13:26" - approved="1" - record_id="243"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="296.016039" avge_mass="297.1478" - composition="H(13) C(12) N(2) O(2) Br"> - <umod:element symbol="H" number="13"/> - <umod:element symbol="C" number="12"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="Br" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Under construction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.targetdiscovery.com/index.php?topic=prod.idbe</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Target discovery , Inc. IDBEST IGBP user manual</umod:text> - <umod:source>Other</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Cytopiloyne" full_name="nucleophilic addtion to cytopiloyne" - username_of_poster="ymchiang" - group_of_poster="users" - date_time_posted="2004-11-10 03:13:23" - date_time_modified="2006-10-16 16:35:54" - approved="1" - record_id="270"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="7"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="6"/> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="5"/> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="Chemical derivative" - spec_group="4"/> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="362.136553" avge_mass="362.3738" composition="H(22) C(19) O(7)"> - <umod:element symbol="H" number="22"/> - <umod:element symbol="C" number="19"/> - <umod:element symbol="O" number="7"/> - </umod:delta> - <umod:xref> - <umod:text>15549660</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Cytopiloyne is a polyacetylenic glucoside isolated form Bidens pilosa which can modulate T helper cell differentiation. Biotinylated cytopiloyne might be use to identify its receptor in T cell.</umod:misc_notes> - </umod:mod> - <umod:mod title="Cytopiloyne+water" full_name="nucleophilic addition to cytopiloyne+H2O" - username_of_poster="ymchiang" - group_of_poster="users" - date_time_posted="2004-11-11 05:23:17" - date_time_modified="2006-10-16 16:37:10" - approved="1" - record_id="271"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="7"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="6"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="5"/> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="4"/> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="380.147118" avge_mass="380.3891" composition="H(24) C(19) O(8)"> - <umod:element symbol="H" number="24"/> - <umod:element symbol="C" number="19"/> - <umod:element symbol="O" number="8"/> - </umod:delta> - <umod:xref> - <umod:text>15549660</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Cytopiloyne is a polyacetylenic glucoside isolated form Bidens pilosa which can modulated T helper cell differentiation. Biotinylated cytopiloyne might be use to identify its receptor in T cell.</umod:misc_notes> - </umod:mod> - <umod:mod title="Label:13C(6)15N(4)" full_name="13C(6) 15N(4) Silac label" - username_of_poster="AFCS" - group_of_poster="users" - date_time_posted="2004-10-20 17:49:33" - date_time_modified="2006-10-19 10:30:51" - approved="1" - record_id="267"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>Used in SILAC experiment</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="10.008269" avge_mass="9.9296" - composition="C(-6) 13C(6) N(-4) 15N(4)"> - <umod:element symbol="C" number="-6"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="N" number="-4"/> - <umod:element symbol="15N" number="4"/> - </umod:delta> - <umod:xref> - <umod:text>Silac introduction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>12716131</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Label:13C(9)15N(1)" full_name="13C(9) 15N(1) Silac label" - username_of_poster="Deepa" - group_of_poster="users" - date_time_posted="2004-11-05 18:51:13" - date_time_modified="2006-10-19 10:31:10" - approved="1" - record_id="269"> - <umod:specificity hidden="1" site="F" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>Used in AQUA experiment</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="10.027228" avge_mass="9.9273" composition="C(-9) 13C(9) N(-1) 15N"> - <umod:element symbol="C" number="-9"/> - <umod:element symbol="13C" number="9"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="15N" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Silac introduction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>12771378</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Label:2H(3)" full_name="Trideuteration" username_of_poster="mmolloy" - group_of_poster="users" - date_time_posted="2004-09-29 08:52:01" - date_time_modified="2006-10-14 09:38:54" - approved="1" - record_id="262"> - <umod:specificity hidden="1" site="L" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>for SILAC expt</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="3.018830" avge_mass="3.0185" composition="H(-3) 2H(3)"> - <umod:element symbol="H" number="-3"/> - <umod:element symbol="2H" number="3"/> - </umod:delta> - <umod:alt_name>Trideuteration</umod:alt_name> - <umod:xref> - <umod:text>Silac introduction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Label:13C(5)15N(1)" full_name="13C(5) 15N(1) Silac label" - username_of_poster="Deepa" - group_of_poster="users" - date_time_posted="2004-11-05 18:49:37" - date_time_modified="2006-10-19 10:30:08" - approved="1" - record_id="268"> - <umod:specificity hidden="1" site="V" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>Used in AQUA experiment</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="6.013809" avge_mass="5.9567" composition="C(-5) 13C(5) N(-1) 15N"> - <umod:element symbol="C" number="-5"/> - <umod:element symbol="13C" number="5"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="15N" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>12771378</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="PET" full_name="phosphorylation to pyridyl thiol" - username_of_poster="vbad" - group_of_poster="users" - date_time_posted="2004-10-07 08:55:33" - date_time_modified="2006-10-16 12:48:51" - approved="1" - record_id="264"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="121.035005" avge_mass="121.2028" composition="H(7) C(7) N O(-1) S"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>b-elimination PET derivatisation</umod:alt_name> - <umod:xref> - <umod:text>Manfredo Quadroni in: ''Proteome Research: Mass Spectrometry (ed. P.James)'' pp 187-206</umod:text> - <umod:source>Book</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>PET = 2-[4-pyridyl]ethanethiol. This modification is a chemical derivative, based on a alkaline catalysed beta-elimination of phosphoserines and phosphothreonines and subsequent 1,4-addition of 2-[4-pyridine]ethanethiol. These modified serines and threonines produce in MS/MS a characteristic fragment which can be used for precursor-ion-scan experiments.</umod:misc_notes> - </umod:mod> - <umod:mod title="CAF" full_name="sulfonation of N-terminus" username_of_poster="chens002" - group_of_poster="users" - date_time_posted="2004-11-16 14:25:33" - date_time_modified="2007-01-03 19:34:35" - approved="1" - record_id="272"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="135.983029" avge_mass="136.1265" composition="H(4) C(3) O(4) S"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>Ettan CAF MALDI</umod:alt_name> - <umod:xref> - <umod:text>Anal.Chem 75(7):156A-165A</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15732931</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>16046801</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>N-terminal sulfonation of diglycine to detect ubiquitination sites</umod:misc_notes> - </umod:mod> - <umod:mod title="Xlink:SSD" - full_name="covalent modification of lysine by cross-linking reagent" - username_of_poster="tom" - group_of_poster="users" - date_time_posted="2004-11-16 20:20:17" - date_time_modified="2006-10-17 11:43:47" - approved="1" - record_id="273"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="253.095023" avge_mass="253.2512" composition="H(15) C(12) N O(5)"> - <umod:element symbol="H" number="15"/> - <umod:element symbol="C" number="12"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="5"/> - </umod:delta> - <umod:xref> - <umod:text>Partis MD et al. 1983 J Prot Chem 2 263-277</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Nitrosyl" full_name="S-nitrosylation" username_of_poster="dengh" - group_of_poster="users" - date_time_posted="2004-12-11 00:23:12" - date_time_modified="2006-10-15 18:00:14" - approved="1" - record_id="275"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="28.990164" avge_mass="28.9982" composition="H(-1) N O"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0230</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>10442087</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>NTRY</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15688001</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Protein which is posttranslationally modified by the attachment of a nitric oxide group on the sulfur atom of one or more cysteine residues.</umod:misc_notes> - </umod:mod> - <umod:mod title="AEBS" full_name="Aminoethylbenzenesulfonylation" - username_of_poster="plattm" - group_of_poster="users" - date_time_posted="2004-12-14 04:38:25" - date_time_modified="2006-10-16 15:04:42" - approved="1" - record_id="276"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Artefact" - spec_group="5"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Artefact" - spec_group="4"> - <umod:misc_notes>Primary site of modification</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" classification="Artefact" - spec_group="3"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Artefact" - spec_group="2"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Artefact" - spec_group="1"/> - <umod:delta mono_mass="183.035399" avge_mass="183.2276" composition="H(9) C(8) N O(2) S"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="8"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Biochim Biophys Acta. 1996 Feb 16; 1299(3):353-7</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>8597590</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Potential protein modification when using AEBSF (Pefabloc) as a serine protease inhibitor.</umod:misc_notes> - </umod:mod> - <umod:mod title="Ethanolyl" full_name="Ethanolation of Cys" username_of_poster="knierman" - group_of_poster="users" - date_time_posted="2005-01-11 04:26:47" - date_time_modified="2006-10-16 10:01:41" - approved="1" - record_id="278"> - <umod:specificity hidden="0" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"> - <umod:misc_notes>from reaction of SH group with iodoethanol</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="44.026215" avge_mass="44.0526" composition="H(4) C(2) O"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Anal Biochem. 2004 Oct 1;333(1):174-81</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15351294</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>A simplified procedure for the reduction and alkylation of cysteine residues in proteins prior to proteolytic digestion and mass spectral analysis. Hale JE, Butler JP, Gelfanova V, You JS, Knierman MD.</umod:misc_notes> - </umod:mod> - <umod:mod title="HMVK" - full_name="Michael addition of hydroxymethylvinyl ketone to cysteine" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-03 15:59:33" - date_time_modified="2006-10-16 12:15:35" - approved="1" - record_id="371"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="86.036779" avge_mass="86.0892" composition="H(6) C(4) O(2)"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>hydroxymethylvinyl ketone</umod:alt_name> - <umod:xref> - <umod:text>11743741</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Ethyl" full_name="Ethylation" username_of_poster="Qishanl" - group_of_poster="users" - date_time_posted="2005-01-27 23:18:07" - date_time_modified="2006-10-15 17:59:14" - approved="1" - record_id="280"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Multiple" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Multiple" - spec_group="1"/> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Artefact" - spec_group="3"/> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" - classification="Chemical derivative" - spec_group="4"/> - <umod:delta mono_mass="28.031300" avge_mass="28.0532" composition="H(4) C(2)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>9629898</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="CoenzymeA" full_name="Cysteine modified Coenzyme A" - username_of_poster="tremis" - group_of_poster="users" - date_time_posted="2005-02-01 17:10:00" - date_time_modified="2006-10-16 17:15:18" - approved="1" - record_id="281"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="765.099560" avge_mass="765.5182" - composition="H(34) C(21) N(7) O(16) P(3) S"> - <umod:element symbol="H" number="34"/> - <umod:element symbol="C" number="21"/> - <umod:element symbol="N" number="7"/> - <umod:element symbol="O" number="16"/> - <umod:element symbol="P" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Structure</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://commons.wikimedia.org/wiki/Image:Coenzyme_a.png</umod:url> - </umod:xref> - <umod:xref> - <umod:text>AA0306</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Methyl+Deamidated" full_name="Deamidation followed by a methylation" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-10-14 10:39:08" - date_time_modified="2007-02-04 12:25:42" - approved="1" - record_id="528"> - <umod:specificity hidden="1" site="Q" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:delta mono_mass="14.999666" avge_mass="15.0113" composition="H C N(-1) O"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>Glutamate methyl ester</umod:alt_name> - <umod:xref> - <umod:text>P02942</umod:text> - <umod:source>Swiss-Prot</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>DEAME</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Anal Chem. 2007 Jan 15;79(2):673-81.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Delta:H(5)C(2)" full_name="Dimethylation of proline residue" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-10-15 18:02:34" - date_time_modified="2006-10-15 18:03:16" - approved="1" - record_id="529"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="29.039125" avge_mass="29.0611" composition="H(5) C(2)"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>DIMETP</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Methyl:2H(2)" full_name="Deuterium Methylation of Lysine" - username_of_poster="Glebivanov" - group_of_poster="users" - date_time_posted="2005-02-13 01:26:38" - date_time_modified="2006-10-14 19:35:54" - approved="1" - record_id="284"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="16.028204" avge_mass="16.0389" composition="2H(2) C"> - <umod:element symbol="2H" number="2"/> - <umod:element symbol="C" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Nature. 2004 Nov 18;432(7015):353-60. Epub 2004 Nov 03</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15525938</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="SulfanilicAcid" full_name="Light Sulfanilic Acid (SA) C12" - username_of_poster="apanchaud" - group_of_poster="users" - date_time_posted="2005-02-17 15:48:07" - date_time_modified="2006-10-16 14:05:34" - approved="1" - record_id="285"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Isotopic label" - spec_group="3"/> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="C-term" position="Any C-term" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="155.004099" avge_mass="155.1744" composition="H(5) C(6) N O(2) S"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>C-Terminal/Glutamate/Aspartate sulfonation</umod:alt_name> - <umod:xref> - <umod:text>ASMS 2005: Panchaud et al. (Poster ThP 509) ''Combining protein identification and quantitation: C-terminal isotope-coded tagging''</umod:text> - <umod:source>Other</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="SulfanilicAcid:13C(6)" full_name="Heavy Sulfanilic Acid (SA) C13" - username_of_poster="apanchaud" - group_of_poster="users" - date_time_posted="2005-02-17 15:55:52" - date_time_modified="2006-10-16 14:08:42" - approved="1" - record_id="286"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="C-term" position="Any C-term" - classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="161.024228" avge_mass="161.1303" composition="H(5) 13C(6) N O(2) S"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>C-Terminal/Glutamate/Aspartate sulfonation</umod:alt_name> - <umod:xref> - <umod:text>ASMS 2005: Panchaud et al. (Poster ThP 509) ''Combining protein identification and quantitation: C-terminal isotope-coded tagging''</umod:text> - <umod:source>Other</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>9254591</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Biotin-PEO-Amine" full_name="Biotin polyethyleneoxide amine" - username_of_poster="TBricker1" - group_of_poster="users" - date_time_posted="2005-03-02 16:49:17" - date_time_modified="2006-11-14 11:15:23" - approved="0" - record_id="289"> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Chemical derivative" - spec_group="2"> - <umod:misc_notes>EDC-coupled modification of D, E and C-terminus</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="C-term" position="Protein C-term" - classification="Chemical derivative" - spec_group="1"> - <umod:misc_notes>EDC-coupled modification of D, E and C-terminus</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Chemical derivative" - spec_group="3"> - <umod:misc_notes>EDC-coupled modification of D, E and C-terminus</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="356.188212" avge_mass="356.4835" - composition="H(28) C(16) N(4) O(3) S"> - <umod:element symbol="H" number="28"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Introduction to Protein Labeling</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.piercenet.com/Proteomics/browse.cfm?fldID=84EBE112-F871-4CA5-807F-47327153CFCB</umod:url> - </umod:xref> - <umod:misc_notes>EDC crosslinker is used to couple biotin PEO-amine to carboxyl groups or 5\' phosphate groups</umod:misc_notes> - </umod:mod> - <umod:mod title="Trp->Oxolactone" full_name="Tryptophan oxidation to oxolactone" - username_of_poster="oxolactone" - group_of_poster="users" - date_time_posted="2005-02-25 23:30:20" - date_time_modified="2006-10-14 10:06:01" - approved="1" - record_id="288"> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="13.979265" avge_mass="13.9835" composition="H(-2) O"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>7949339</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>The cleavage of a peptide bond between Try-Xxx with oxidation of tryptophan to the oxolactone occurs in the presence of BNPS-skatole. This is a useful method for the chemical cleavage of proteins specifically at tryptophan residues.</umod:misc_notes> - </umod:mod> - <umod:mod title="Biotin-HPDP" full_name="Pierce EZ-Link Biotin-HPDP" - username_of_poster="tgreco" - group_of_poster="users" - date_time_posted="2005-03-03 22:56:52" - date_time_modified="2006-11-14 11:14:29" - approved="0" - record_id="290"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="428.191582" avge_mass="428.6124" - composition="H(32) C(19) N(4) O(3) S(2)"> - <umod:element symbol="H" number="32"/> - <umod:element symbol="C" number="19"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>EZ-Link Biotin-HPDP (N-(6-(Biotinamido)hexyl)-3'-(2'-pyridyldithio)-propionamide</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.piercenet.com/Products/Browse.cfm?fldID=01031002</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Delta:Hg(1)" full_name="Mercury Mercaptan" username_of_poster="tgreco" - group_of_poster="users" - date_time_posted="2005-03-03 23:53:00" - date_time_modified="2006-10-16 15:09:18" - approved="1" - record_id="291"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="201.970617" avge_mass="200.5900" composition="Hg"> - <umod:element symbol="Hg" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>10695144</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="IodoU-AMP" full_name="Cross-link of (Iodo)-uracil MP with W,F,Y" - username_of_poster="davidERICanderson" - group_of_poster="users" - date_time_posted="2005-03-04 22:57:55" - date_time_modified="2006-10-16 15:53:06" - approved="1" - record_id="292"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="3"> - <umod:misc_notes>Used in base/residue interactions (in principle?)</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative" - spec_group="2"> - <umod:misc_notes>Used in base/residue interactions (observed)</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="F" position="Anywhere" classification="Chemical derivative" - spec_group="1"> - <umod:misc_notes>Used in base/residue interactions (in principle?)</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="322.020217" avge_mass="322.1654" - composition="H(11) C(9) N(2) O(9) P"> - <umod:element symbol="H" number="11"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="9"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:alt_name>UV induced cross-link product of Iodo-U-amp with WFY</umod:alt_name> - <umod:xref> - <umod:text>6540775</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11112526</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11567090</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>One note about this chemistry is that for W you have to take care of O2 big time (and extract the I-uracil monophosphate with organics to get rid of residual iodide).</umod:misc_notes> - </umod:mod> - <umod:mod title="CAMthiopropanoyl" full_name="3-(carbamidomethylthio)propanoyl" - username_of_poster="vanschra" - group_of_poster="users" - date_time_posted="2005-03-09 15:22:46" - date_time_modified="2006-10-16 13:58:55" - approved="1" - record_id="293"> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="145.019749" avge_mass="145.1796" composition="H(7) C(5) N O(2) S"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>3-thiopropanoyl moiety from reduced DSP crosslinker or NHS-SS-biotin, modified with Iodoacetamide</umod:alt_name> - <umod:xref> - <umod:text>Peirce MJ, Wait R, Begum S, Saklatvala J, Cope AP (2004) Mol Cell Proteomics 3: 56-65</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Swaim CL, Smith JB, Smith DL (2004) J Am Soc Mass Spectrom 15:736-749</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15121203</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="IED-Biotin" full_name="biotinoyl-iodoacetyl-ethylenediamine" - username_of_poster="alexey" - group_of_poster="users" - date_time_posted="2005-03-10 16:28:09" - date_time_modified="2006-10-16 15:53:29" - approved="1" - record_id="294"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="326.141261" avge_mass="326.4145" - composition="H(22) C(14) N(4) O(3) S"> - <umod:element symbol="H" number="22"/> - <umod:element symbol="C" number="14"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>10906242</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="dHex" full_name="Fucose" username_of_poster="rsack" - group_of_poster="users" - date_time_posted="2005-03-22 16:57:00" - date_time_modified="2006-10-16 14:02:33" - approved="1" - record_id="295"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="O-linked glycosylation" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="O-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="146.057909" avge_mass="146.1412" composition="dHex"> - <umod:element symbol="H" number="10"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="O" number="4"/> - </umod:delta> - <umod:alt_name>deoxyhexose</umod:alt_name> - <umod:xref> - <umod:text>15189151</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Mormann, M., Macek, B., Gonzalez de Peredo, A., Hofsteenge, J., Peter-Katalinic, J. (2004). ''Structural studies on protein O-fucosylation by electron capture dissoziation.'' International Journal of Mass Spectrometry 234:11-21</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11344537</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Methyl:2H(3)" full_name="deuterated methyl ester" - username_of_poster="ndacoyas" - group_of_poster="users" - date_time_posted="2005-03-24 16:31:28" - date_time_modified="2006-10-14 19:36:59" - approved="1" - record_id="298"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Isotopic label" - spec_group="3"/> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="C-term" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="17.034480" avge_mass="17.0451" composition="H(-1) 2H(3) C"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="2H" number="3"/> - <umod:element symbol="C" number="1"/> - </umod:delta> - <umod:misc_notes>esterification of carboxylic acids using D3-Methanolic HCl</umod:misc_notes> - </umod:mod> - <umod:mod title="Carboxy" full_name="Carboxylation" username_of_poster="Carol" - group_of_poster="users" - date_time_posted="2005-03-29 22:55:44" - date_time_modified="2006-11-14 11:08:50" - approved="0" - record_id="299"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Post-translational" - spec_group="4"> - <umod:misc_notes>Gamma-carboxylation</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Post-translational" - spec_group="3"> - <umod:misc_notes>Gamma-carboxylation</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:specificity hidden="1" site="M" position="Protein N-term" - classification="Post-translational" - spec_group="5"/> - <umod:delta mono_mass="43.989829" avge_mass="44.0095" composition="C O(2)"> - <umod:element symbol="C" number="1"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>AA0114</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>GGLU</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0363</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0032</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>3802193</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0304</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Bromobimane" full_name="Monobromobimane derivative" - username_of_poster="catsriku" - group_of_poster="users" - date_time_posted="2005-04-04 23:03:13" - date_time_modified="2006-10-16 15:07:49" - approved="1" - record_id="301"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="190.074228" avge_mass="190.1986" composition="H(10) C(10) N(2) O(2)"> - <umod:element symbol="H" number="10"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>mBromobimane</umod:alt_name> - <umod:xref> - <umod:text>7856876</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Menadione" full_name="Menadione quinone derivative" - username_of_poster="catsriku" - group_of_poster="users" - date_time_posted="2005-04-04 23:21:29" - date_time_modified="2007-07-12 07:36:32" - approved="0" - record_id="302"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="170.036779" avge_mass="170.1641" composition="H(6) C(11) O(2)"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="11"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>Vitamin k3 (Q)</umod:alt_name> - <umod:xref> - <umod:text>15939799</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="DeStreak" full_name="Cysteine mercaptoethanol" - username_of_poster="harald" - group_of_poster="users" - date_time_posted="2005-04-11 14:06:08" - date_time_modified="2006-10-16 11:07:55" - approved="1" - record_id="303"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="75.998285" avge_mass="76.1176" composition="H(4) C(2) O S"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>12442261</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="dHex(1)Hex(3)HexNAc(4)" - full_name="Fucosylated biantennary (-2 galactose)" - username_of_poster="whaskins" - group_of_poster="users" - date_time_posted="2005-04-25 18:20:12" - date_time_modified="2006-10-16 17:22:46" - approved="1" - record_id="305"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="1444.533870" avge_mass="1445.3331" - composition="dHex Hex(3) HexNAc(4)"> - <umod:element symbol="H" number="92"/> - <umod:element symbol="C" number="56"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="39"/> - </umod:delta> - </umod:mod> - <umod:mod title="dHex(1)Hex(4)HexNAc(4)" - full_name="Fucosylated biantennary (-1 galactose)" - username_of_poster="whaskins" - group_of_poster="users" - date_time_posted="2005-04-25 19:22:11" - date_time_modified="2006-10-16 17:23:48" - approved="1" - record_id="307"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="1606.586693" avge_mass="1607.4737" - composition="dHex Hex(4) HexNAc(4)"> - <umod:element symbol="H" number="102"/> - <umod:element symbol="C" number="62"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="44"/> - </umod:delta> - </umod:mod> - <umod:mod title="dHex(1)Hex(5)HexNAc(4)" full_name="Fucosylated biantennary" - username_of_poster="whaskins" - group_of_poster="users" - date_time_posted="2005-04-25 19:25:17" - date_time_modified="2006-10-16 17:24:49" - approved="1" - record_id="308"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="1768.639517" avge_mass="1769.6143" - composition="dHex Hex(5) HexNAc(4)"> - <umod:element symbol="H" number="112"/> - <umod:element symbol="C" number="68"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="49"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(3)HexNAc(4)" full_name="Biantennary (-2 galactose)" - username_of_poster="whaskins" - group_of_poster="users" - date_time_posted="2005-04-25 19:27:51" - date_time_modified="2006-10-16 17:22:29" - approved="1" - record_id="309"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="1298.475961" avge_mass="1299.1919" composition="Hex(3) HexNAc(4)"> - <umod:element symbol="H" number="82"/> - <umod:element symbol="C" number="50"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="35"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(4)HexNAc(4)" full_name="Biantennary (-1 galactose)" - username_of_poster="whaskins" - group_of_poster="users" - date_time_posted="2005-04-25 19:33:37" - date_time_modified="2006-10-16 17:23:05" - approved="1" - record_id="310"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="1460.528784" avge_mass="1461.3325" composition="Hex(4) HexNAc(4)"> - <umod:element symbol="H" number="92"/> - <umod:element symbol="C" number="56"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="40"/> - </umod:delta> - </umod:mod> - <umod:mod title="Hex(5)HexNAc(4)" full_name="Biantennary" username_of_poster="whaskins" - group_of_poster="users" - date_time_posted="2005-04-25 19:35:54" - date_time_modified="2006-10-16 17:24:34" - approved="1" - record_id="311"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="1622.581608" avge_mass="1623.4731" composition="Hex(5) HexNAc(4)"> - <umod:element symbol="H" number="102"/> - <umod:element symbol="C" number="62"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="45"/> - </umod:delta> - </umod:mod> - <umod:mod title="Cysteinyl" full_name="Cysteinylation" username_of_poster="whaskins" - group_of_poster="users" - date_time_posted="2005-04-25 19:59:43" - date_time_modified="2006-12-17 11:28:36" - approved="1" - record_id="312"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Multiple" - spec_group="1"/> - <umod:delta mono_mass="119.004099" avge_mass="119.1423" composition="H(5) C(3) N O(2) S"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0025</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Lys-loss" full_name="Loss of C-terminal K from Heavy Chain of MAb" - username_of_poster="whaskins" - group_of_poster="users" - date_time_posted="2005-04-25 20:05:38" - date_time_modified="2006-10-13 15:00:47" - approved="1" - record_id="313"> - <umod:specificity hidden="1" site="K" position="Protein C-term" - classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="-128.094963" avge_mass="-128.1723" - composition="H(-12) C(-6) N(-2) O(-1)"> - <umod:element symbol="H" number="-12"/> - <umod:element symbol="C" number="-6"/> - <umod:element symbol="N" number="-2"/> - <umod:element symbol="O" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>16078144</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Nmethylmaleimide" full_name="Nmethylmaleimide" - username_of_poster="whaskins" - group_of_poster="users" - date_time_posted="2005-04-25 20:12:24" - date_time_modified="2006-10-16 17:26:09" - approved="1" - record_id="314"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="111.032028" avge_mass="111.0987" composition="H(5) C(5) N O(2)"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - </umod:mod> - <umod:mod title="CyDye-Cy3" full_name="Cy3 CyDye DIGE Fluor saturation dye" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2006-03-27 11:17:51" - date_time_modified="2006-10-17 14:18:38" - approved="0" - record_id="494"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="672.298156" avge_mass="672.8335" - composition="H(44) C(37) N(4) O(6) S"> - <umod:element symbol="H" number="44"/> - <umod:element symbol="C" number="37"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Amersham (GE Healthcare) instruction leaflet 25800983PL Rev-B, 2003</umod:text> - <umod:source>Other</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12872219</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="DimethylpyrroleAdduct" full_name="2,5-dimethypyrrole" - username_of_poster="Qishanl" - group_of_poster="users" - date_time_posted="2005-05-07 03:11:23" - date_time_modified="2006-10-16 11:14:22" - approved="1" - record_id="316"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="78.046950" avge_mass="78.1118" composition="H(6) C(6)"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="6"/> - </umod:delta> - </umod:mod> - <umod:mod title="Delta:H(2)C(5)" full_name="MDA adduct +62" username_of_poster="rkupfer" - group_of_poster="users" - date_time_posted="2005-05-12 22:00:21" - date_time_modified="2006-10-16 10:29:55" - approved="1" - record_id="318"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="62.015650" avge_mass="62.0694" composition="H(2) C(5)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="5"/> - </umod:delta> - <umod:alt_name>MDA62</umod:alt_name> - <umod:misc_notes>usually major adduct formed from malondialdehyde (MDA) with the amino group of lysine residues</umod:misc_notes> - </umod:mod> - <umod:mod title="Delta:H(2)C(3)O(1)" full_name="MDA adduct +54" - username_of_poster="rkupfer" - group_of_poster="users" - date_time_posted="2005-05-12 22:12:10" - date_time_modified="2006-10-16 10:15:34" - approved="1" - record_id="319"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"> - <umod:misc_notes>Malondialdehyde (MDA) adduct</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="2"> - <umod:misc_notes>5-hydro-5-methylimidazol-4-one, Methylglyoxal adduct</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="54.010565" avge_mass="54.0474" composition="H(2) C(3) O"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>MDA54</umod:alt_name> - <umod:xref> - <umod:text>Uchida K, Sakai K, Itakura K, Osawa T, Toyokuni S. 1977. Protein modification by lipid peroxidation products: formation of malondialdehyde-derived N(epsilon)-(2-propenol)lysine in proteins. Arch Biochem Biophys. 346(1):45-52</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Nethylmaleimide+water" full_name="Nethylmaleimidehydrolysis" - username_of_poster="whaskins" - group_of_poster="users" - date_time_posted="2005-05-16 22:18:42" - date_time_modified="2006-10-17 11:40:14" - approved="1" - record_id="320"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="143.058243" avge_mass="143.1406" composition="H(9) C(6) N O(3)"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="3"/> - </umod:delta> - <umod:xref> - <umod:text>Chemistry of Protein Conjugation and Crosslinking by Shan S. Wong, 1991, pg.32</umod:text> - <umod:source>Book</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Methyl+Acetyl:2H(3)" - full_name="Mono-methylated lysine labelled with Acetyl_heavy" - username_of_poster="buchanan" - group_of_poster="" - date_time_posted="2007-08-06 09:35:40" - date_time_modified="2007-09-07 16:56:17" - approved="0" - record_id="768"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="59.045045" avge_mass="59.0817" composition="H 2H(3) C(3) O"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="2H" number="3"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Xlink:B10621" full_name="bis-N-I-sulfonerahodamine" - username_of_poster="dengh" - group_of_poster="users" - date_time_posted="2005-05-17 22:56:12" - date_time_modified="2006-10-16 17:12:41" - approved="1" - record_id="323"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="713.093079" avge_mass="713.5626" - composition="H(30) C(31) N(4) O(6) S I"> - <umod:element symbol="H" number="30"/> - <umod:element symbol="C" number="31"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="S" number="1"/> - <umod:element symbol="I" number="1"/> - </umod:delta> - <umod:misc_notes>Invitrogen X-link reagent</umod:misc_notes> - </umod:mod> - <umod:mod title="DTBP" full_name="dimethyl 3,3\'-dithiobispropionimidate" - username_of_poster="takesin" - group_of_poster="users" - date_time_posted="2005-05-18 08:43:26" - date_time_modified="2006-11-14 11:16:21" - approved="0" - record_id="324"> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" - classification="Chemical derivative" - spec_group="5"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="4"/> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="Q" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="87.014270" avge_mass="87.1435" composition="H(5) C(3) N S"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Pierce data sheet</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.piercenet.com/files/0668ss5.pdf</umod:url> - </umod:xref> - <umod:xref> - <umod:text>770170</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>imidoester cross-linker</umod:misc_notes> - </umod:mod> - <umod:mod title="FP-Biotin" - full_name="10-ethoxyphosphinyl-N-(biotinamidopentyl)decanamide" - username_of_poster="lmschopfer" - group_of_poster="users" - date_time_posted="2005-05-19 22:01:37" - date_time_modified="2007-01-10 16:18:52" - approved="0" - record_id="325"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="572.316129" avge_mass="572.7405" - composition="H(49) C(27) N(4) O(5) P S"> - <umod:element symbol="H" number="49"/> - <umod:element symbol="C" number="27"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="P" number="1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>O-ethyl-N-(biotinamidopentyl)decanamido phosphonate</umod:alt_name> - <umod:xref> - <umod:text>10611275</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Liu, Patricelli and Cravatt; Activity-based protein profiling: The serine hydrolases. Proc Natl Acad Sci USA 96, 14694-14699 (1999)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Schopfer, Champion, Tamblyn, Thompson and Lockridge; Characteristic mass spectral fragments of the organophosphorus agent FP-biotin and FP-biotinylated peptides from trypsin and bovine albumin (Tyr410). Anal Biochem 345, 122-132 (2005)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>FP-biotin was designed to label the active site serine of serine esterases/proteases.</umod:misc_notes> - </umod:mod> - <umod:mod title="Thiophos-S-S-biotin" full_name="thiophosphate labeled with biotin-HPDP" - username_of_poster="lparker" - group_of_poster="users" - date_time_posted="2005-07-21 16:37:10" - date_time_modified="2006-10-16 17:02:42" - approved="1" - record_id="332"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="3"> - <umod:NeutralLoss mono_mass="525.142894" avge_mass="525.6658" flag="false" - composition="H(34) C(19) N(4) O(5) P S(3)"> - <umod:element symbol="H" number="34"/> - <umod:element symbol="C" number="19"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="P" number="1"/> - <umod:element symbol="S" number="3"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"> - <umod:NeutralLoss mono_mass="525.142894" avge_mass="525.6658" flag="false" - composition="H(34) C(19) N(4) O(5) P S(3)"> - <umod:element symbol="H" number="34"/> - <umod:element symbol="C" number="19"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="P" number="1"/> - <umod:element symbol="S" number="3"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"> - <umod:NeutralLoss mono_mass="525.142894" avge_mass="525.6658" flag="false" - composition="H(34) C(19) N(4) O(5) P S(3)"> - <umod:element symbol="H" number="34"/> - <umod:element symbol="C" number="19"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="P" number="1"/> - <umod:element symbol="S" number="3"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:delta mono_mass="525.142894" avge_mass="525.6658" - composition="H(34) C(19) N(4) O(5) P S(3)"> - <umod:element symbol="H" number="34"/> - <umod:element symbol="C" number="19"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="P" number="1"/> - <umod:element symbol="S" number="3"/> - </umod:delta> - <umod:alt_name>Thiophos-biotin disulfide</umod:alt_name> - </umod:mod> - <umod:mod title="Can-FP-biotin" full_name="6-N-biotinylaminohexyl isopropyl phosphate" - username_of_poster="lmschopfer" - group_of_poster="users" - date_time_posted="2005-07-21 20:54:00" - date_time_modified="2007-01-10 16:25:18" - approved="0" - record_id="333"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="447.195679" avge_mass="447.5291" - composition="H(34) C(19) N(3) O(5) P S"> - <umod:element symbol="H" number="34"/> - <umod:element symbol="C" number="19"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="P" number="1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>O-isopropyl-N-biotinylaminohexyl phosphonate</umod:alt_name> - <umod:xref> - <umod:text>Higson, Ferguson and Nikolaev; Synthesis of 6-N-biotinylaminohexyl isopropyl phosphorofluoridate: A potent tool for the inhibition/isolation of serine esterases and proteases. Synthesis 3, 407-409 (1999)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Commercially available from Toronto Research Chemicals Inc, as of 2005. Designed to label the active site serine of serine esterases/proteases.</umod:misc_notes> - </umod:mod> - <umod:mod title="HNE+Delta:H(2)" full_name="reduced 4-Hydroxynonenal" - username_of_poster="rkupfer" - group_of_poster="users" - date_time_posted="2005-08-10 20:52:36" - date_time_modified="2006-10-16 14:07:39" - approved="1" - record_id="335"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="158.130680" avge_mass="158.2380" composition="H(18) C(9) O(2)"> - <umod:element symbol="H" number="18"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>Crabb JW et al, Protein Sci. 2002;11: 831</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Michael addition adduct of 4-hydroxynonenal with histidine, cystein and lysine residues stabilized by reduction with NaBH4</umod:misc_notes> - </umod:mod> - <umod:mod title="Thrbiotinhydrazide" - full_name="oxidized Threonine biotinylated with biotin hydrazide" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-09-10 23:01:28" - date_time_modified="2006-11-14 12:12:13" - approved="0" - record_id="361"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="240.104482" avge_mass="240.3252" composition="H(16) C(10) N(4) O S"> - <umod:element symbol="H" number="16"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>http://www.piercenet.com/Proteomics/browse.cfm?fldID=84EBE112-F871-4CA5-807F-47327153CFCB</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Yoo, Byoung-Sam; Regnier, Fred E. Electrophoresis (2004), 25(9), 1334-1341</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Methylamine" full_name="Michael addition with methylamine" - username_of_poster="zhulx" - group_of_poster="users" - date_time_posted="2005-08-12 21:55:51" - date_time_modified="2006-10-14 10:02:51" - approved="1" - record_id="337"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Artefact" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Artefact" - spec_group="1"/> - <umod:delta mono_mass="13.031634" avge_mass="13.0418" composition="H(3) C N O(-1)"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>Rapid Commun. Mass Spectrom. 2002; 16: 999-1001</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Diisopropylphosphate" full_name="O-Diisopropylphosphorylation" - username_of_poster="lmschopfer" - group_of_poster="users" - date_time_posted="2005-09-14 18:05:04" - date_time_modified="2007-01-15 15:23:33" - approved="0" - record_id="362"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="164.060231" avge_mass="164.1394" composition="H(13) C(6) O(3) P"> - <umod:element symbol="H" number="13"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Main; Mode of action of anticholinesterases. Pharmac Ther 6, 579-628 (1979)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>A selective label for the active site serine of the serine esterase/protease family. It has also been shown to label tyrosine in serum albumin.</umod:misc_notes> - </umod:mod> - <umod:mod title="Isopropylphospho" full_name="O-Isopropylphosphorylation" - username_of_poster="lmschopfer" - group_of_poster="users" - date_time_posted="2005-09-14 18:08:20" - date_time_modified="2007-01-15 15:25:45" - approved="0" - record_id="363"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="122.013281" avge_mass="122.0596" composition="H(7) C(3) O(3) P"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Main; Mode of action of anticholnesterases. Pharmac Ther 6, 579-628 (1979)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Created by auto-catalytic dealkylation of the O-Diisopropylphosphate adduct.</umod:misc_notes> - </umod:mod> - <umod:mod title="ICPL:13C(6)" - full_name="Bruker Daltonics SERVA-ICPL(TM) quantification chemistry, heavy form" - username_of_poster="suckau" - group_of_poster="users" - date_time_posted="2005-09-19 12:45:52" - date_time_modified="2008-09-03 15:27:07" - approved="0" - record_id="364"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>Use when labelling post-digest</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="N-term" position="Protein N-term" - classification="Isotopic label" - spec_group="2"> - <umod:misc_notes>Use when labelling pre-digest</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="111.041593" avge_mass="111.0500" composition="H(3) 13C(6) N O"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Bruker Daltonics order reference</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.bdal.de/life-science-tools/care-consumables-more/icpl-kit.html</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Schmidt A, Kellermann J, Lottspeich F (2005): A novel strategy for quantitative proteomics using isotope-coded protein labels. Proteomics 5: 4-15</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Attention: As the digest is typically applied AFTER ICPL_light/heavy labeling, only ProteinN-term labeling and Lys-specific labeling is applied.</umod:misc_notes> - </umod:mod> - <umod:mod title="ICPL" - full_name="Bruker Daltonics SERVA-ICPL(TM) quantification chemistry, light form" - username_of_poster="suckau" - group_of_poster="users" - date_time_posted="2005-09-19 13:00:14" - date_time_modified="2008-09-03 15:26:36" - approved="0" - record_id="365"> - <umod:specificity hidden="0" site="N-term" position="Protein N-term" - classification="Isotopic label" - spec_group="2"> - <umod:misc_notes>Use when labelling pre-digest</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>Use when labelling post-digest</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="105.021464" avge_mass="105.0941" composition="H(3) C(6) N O"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Bruker Daltonics order reference</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.bdal.de/life-science-tools/care-consumables-more/icpl-kit.html</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Schmidt A, Kellermann J, Lottspeich F (2005): A novel strategy for quantitative proteomics using isotope-coded protein labels. Proteomics 5: 4-15.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Attention: As the digest is typically applied AFTER ICPL_light/heavy labeling, only ProteinN-term labeling and Lys-specific labeling is applied.</umod:misc_notes> - </umod:mod> - <umod:mod title="Deamidated:18O(1)" full_name="Deamidation in presence of O18" - username_of_poster="gerribe" - group_of_poster="users" - date_time_posted="2005-09-22 15:30:16" - date_time_modified="2006-10-14 09:35:33" - approved="1" - record_id="366"> - <umod:specificity hidden="1" site="Q" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="2.988261" avge_mass="2.9845" composition="H(-1) N(-1) 18O"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="18O" number="1"/> - </umod:delta> - <umod:misc_notes>Observed</umod:misc_notes> - </umod:mod> - <umod:mod title="Arg->Orn" full_name="Ornithine from Arginine" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-05 17:55:25" - date_time_modified="2006-10-13 15:26:33" - approved="1" - record_id="372"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Artefact" - spec_group="1"/> - <umod:delta mono_mass="-42.021798" avge_mass="-42.0400" composition="H(-2) C(-1) N(-2)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="-2"/> - </umod:delta> - <umod:xref> - <umod:text>15489230</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Cation:Cu[I]" full_name="Replacement of proton by copper" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-10-16 10:29:12" - date_time_modified="2006-11-14 10:38:36" - approved="1" - record_id="531"> - <umod:specificity hidden="1" site="C-term" position="Any C-term" classification="Artefact" - spec_group="2"/> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Artefact" - spec_group="1"/> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Artefact" - spec_group="1"/> - <umod:delta mono_mass="61.921774" avge_mass="62.5381" composition="H(-1) Cu"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="Cu" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Dehydro" full_name="Half of a disulfide bridge" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-06 20:57:01" - date_time_modified="2006-10-13 18:28:17" - approved="1" - record_id="374"> - <umod:specificity hidden="0" site="C" position="Anywhere" classification="Multiple" - spec_group="1"/> - <umod:delta mono_mass="-1.007825" avge_mass="-1.0079" composition="H(-1)"> - <umod:element symbol="H" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0025</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Diphthamide" full_name="Diphthamide" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-06 23:21:29" - date_time_modified="2006-10-16 13:43:13" - approved="1" - record_id="375"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="143.118438" avge_mass="143.2068" composition="H(15) C(7) N(2) O"> - <umod:element symbol="H" number="15"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0040</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>DIPH</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Hydroxyfarnesyl" full_name="hydroxyfarnesyl" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-07 20:36:20" - date_time_modified="2006-10-16 15:20:11" - approved="1" - record_id="376"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="220.182715" avge_mass="220.3505" composition="H(24) C(15) O"> - <umod:element symbol="H" number="24"/> - <umod:element symbol="C" number="15"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0103</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>FAR0</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Diacylglycerol" full_name="diacylglycerol" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-07 20:41:21" - date_time_modified="2006-10-16 17:05:40" - approved="1" - record_id="377"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="576.511761" avge_mass="576.9334" composition="H(68) C(37) O(4)"> - <umod:element symbol="H" number="68"/> - <umod:element symbol="C" number="37"/> - <umod:element symbol="O" number="4"/> - </umod:delta> - <umod:xref> - <umod:text>AA0107</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>DIAC</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Carboxyethyl" full_name="carboxyethyl" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-07 22:18:20" - date_time_modified="2006-10-16 10:36:16" - approved="1" - record_id="378"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="72.021129" avge_mass="72.0627" composition="H(4) C(3) O(2)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>AA0115</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>CETH</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Hypusine" full_name="hypusine" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-07 22:20:53" - date_time_modified="2006-10-16 12:35:24" - approved="1" - record_id="379"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="87.068414" avge_mass="87.1204" composition="H(9) C(4) N O"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0116</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>HYPU</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Retinylidene" full_name="retinal" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-07 22:27:27" - date_time_modified="2006-10-16 15:47:14" - approved="1" - record_id="380"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="266.203451" avge_mass="266.4204" composition="H(26) C(20)"> - <umod:element symbol="H" number="26"/> - <umod:element symbol="C" number="20"/> - </umod:delta> - <umod:xref> - <umod:text>AA0120</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Lys->AminoadipicAcid" full_name="alpha-amino adipic acid" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 17:41:37" - date_time_modified="2006-10-14 10:33:11" - approved="1" - record_id="381"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="14.963280" avge_mass="14.9683" composition="H(-3) N(-1) O(2)"> - <umod:element symbol="H" number="-3"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>AA0122</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Cys->PyruvicAcid" full_name="pyruvic acid from N-term cys" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 17:48:42" - date_time_modified="2006-10-13 16:42:55" - approved="1" - record_id="382"> - <umod:specificity hidden="1" site="C" position="Protein N-term" - classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="-33.003705" avge_mass="-33.0961" composition="H(-3) N(-1) O S(-1)"> - <umod:element symbol="H" number="-3"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0127</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>PYRUC</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Ammonia-loss" full_name="Loss of ammonia" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 18:00:01" - date_time_modified="2007-07-15 20:11:01" - approved="0" - record_id="385"> - <umod:specificity hidden="0" site="C" position="Any N-term" classification="Artefact" - spec_group="3"> - <umod:misc_notes>Pyro-carbamidomethyl as a delta from Carbamidomethyl-Cys</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="S" position="Protein N-term" - classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="T" position="Protein N-term" - classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="Chemical derivative" - spec_group="4"> - <umod:misc_notes>N-Succinimide</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="-17.026549" avge_mass="-17.0305" composition="H(-3) N(-1)"> - <umod:element symbol="H" number="-3"/> - <umod:element symbol="N" number="-1"/> - </umod:delta> - <umod:alt_name>oxobutanoic acid from N term Thr</umod:alt_name> - <umod:alt_name>pyruvic acid from N-term ser</umod:alt_name> - <umod:xref> - <umod:text>AA0127</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>PYRUS</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0129</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>OXOB</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Phycocyanobilin" full_name="phycocyanobilin" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 18:06:19" - date_time_modified="2006-10-16 17:07:44" - approved="1" - record_id="387"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="586.279135" avge_mass="586.6780" composition="H(38) C(33) N(4) O(6)"> - <umod:element symbol="H" number="38"/> - <umod:element symbol="C" number="33"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="6"/> - </umod:delta> - <umod:alt_name>phycobiliviolin</umod:alt_name> - <umod:xref> - <umod:text>AA0258</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0131</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>phycocyanobilin and phycobiliviolin have different structures but the same empirical formula</umod:misc_notes> - </umod:mod> - <umod:mod title="Phycoerythrobilin" full_name="phycoerythrobilin" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 18:08:38" - date_time_modified="2006-10-16 17:08:02" - approved="1" - record_id="388"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="588.294785" avge_mass="588.6939" composition="H(40) C(33) N(4) O(6)"> - <umod:element symbol="H" number="40"/> - <umod:element symbol="C" number="33"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="6"/> - </umod:delta> - <umod:xref> - <umod:text>AA0132</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Phytochromobilin" full_name="phytochromobilin" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 18:23:58" - date_time_modified="2006-10-16 17:07:22" - approved="1" - record_id="389"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="584.263485" avge_mass="584.6621" composition="H(36) C(33) N(4) O(6)"> - <umod:element symbol="H" number="36"/> - <umod:element symbol="C" number="33"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="6"/> - </umod:delta> - <umod:xref> - <umod:text>AA0133</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Heme" full_name="heme" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 18:27:20" - date_time_modified="2006-10-16 17:10:28" - approved="1" - record_id="390"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="616.177295" avge_mass="616.4873" - composition="H(32) C(34) N(4) O(4) Fe"> - <umod:element symbol="H" number="32"/> - <umod:element symbol="C" number="34"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="Fe" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0329</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0135</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0276</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Molybdopterin" full_name="molybdopterin" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 18:46:19" - date_time_modified="2006-10-16 17:02:25" - approved="1" - record_id="391"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="521.884073" avge_mass="520.2668" - composition="H(11) C(10) N(5) O(8) P S(2) Mo"> - <umod:element symbol="H" number="11"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="5"/> - <umod:element symbol="O" number="8"/> - <umod:element symbol="P" number="1"/> - <umod:element symbol="S" number="2"/> - <umod:element symbol="Mo" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0142</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Quinone" full_name="quinone" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 18:56:28" - date_time_modified="2006-10-15 18:03:47" - approved="1" - record_id="392"> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="29.974179" avge_mass="29.9829" composition="H(-2) O(2)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>AA0147</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0148</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>TOPA</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Glucosylgalactosyl" full_name="glucosylgalactosyl hydroxylysine" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 19:19:13" - date_time_modified="2007-12-04 08:55:56" - approved="1" - record_id="393"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="O-linked glycosylation" - spec_group="1"> - <umod:NeutralLoss mono_mass="324.105647" avge_mass="324.2812" flag="false" composition="Hex(2)"> - <umod:element symbol="H" number="20"/> - <umod:element symbol="C" number="12"/> - <umod:element symbol="O" number="10"/> - </umod:NeutralLoss> - <umod:NeutralLoss mono_mass="162.052823" avge_mass="162.1406" flag="false" composition="Hex"> - <umod:element symbol="H" number="10"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="O" number="5"/> - </umod:NeutralLoss> - <umod:PepNeutralLoss mono_mass="324.105647" avge_mass="324.2812" required="false" - composition="Hex(2)"> - <umod:element symbol="H" number="20"/> - <umod:element symbol="C" number="12"/> - <umod:element symbol="O" number="10"/> - </umod:PepNeutralLoss> - <umod:PepNeutralLoss mono_mass="162.052823" avge_mass="162.1406" required="false" composition="Hex"> - <umod:element symbol="H" number="10"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="O" number="5"/> - </umod:PepNeutralLoss> - </umod:specificity> - <umod:delta mono_mass="340.100562" avge_mass="340.2806" composition="O Hex(2)"> - <umod:element symbol="H" number="20"/> - <umod:element symbol="C" number="12"/> - <umod:element symbol="O" number="11"/> - </umod:delta> - <umod:xref> - <umod:text>AA0153</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="GPIanchor" full_name="glycosylphosphatidylinositol" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 19:31:10" - date_time_modified="2006-11-14 11:13:52" - approved="0" - record_id="394"> - <umod:specificity hidden="1" site="C-term" position="Protein C-term" - classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="123.008530" avge_mass="123.0477" composition="H(6) C(2) N O(3) P"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0158</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0159</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0160</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0161</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0162</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0163</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0164</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0165</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0166</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="PhosphoribosyldephosphoCoA" - full_name="phosphoribosyl dephospho-coenzyme A" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 19:42:56" - date_time_modified="2006-10-16 17:19:42" - approved="1" - record_id="395"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="881.146904" avge_mass="881.6335" - composition="H(42) C(26) N(7) O(19) P(3) S"> - <umod:element symbol="H" number="42"/> - <umod:element symbol="C" number="26"/> - <umod:element symbol="N" number="7"/> - <umod:element symbol="O" number="19"/> - <umod:element symbol="P" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0167</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="GlycerylPE" full_name="glycerylphosphorylethanolamine" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 19:50:17" - date_time_modified="2006-10-16 15:08:39" - approved="1" - record_id="396"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="197.045310" avge_mass="197.1262" composition="H(12) C(5) N O(5) P"> - <umod:element symbol="H" number="12"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0170</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Triiodothyronine" full_name="triiodo" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 20:08:28" - date_time_modified="2006-10-16 16:59:19" - approved="1" - record_id="397"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="469.716159" avge_mass="469.7850" composition="H C(6) O I(3)"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="I" number="3"/> - </umod:delta> - <umod:xref> - <umod:text>AA0177</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>THRN</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Thyroxine" full_name="tetraiodo" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 20:10:14" - date_time_modified="2006-10-16 17:08:51" - approved="1" - record_id="398"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="595.612807" avge_mass="595.6815" composition="C(6) O I(4)"> - <umod:element symbol="C" number="6"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="I" number="4"/> - </umod:delta> - <umod:xref> - <umod:text>AA0178</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>THRX</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Tyr->Dha" full_name="Dehydroalanine (from Tyrosine)" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 20:17:48" - date_time_modified="2006-10-13 15:02:50" - approved="1" - record_id="400"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="-94.041865" avge_mass="-94.1112" composition="H(-6) C(-6) O(-1)"> - <umod:element symbol="H" number="-6"/> - <umod:element symbol="C" number="-6"/> - <umod:element symbol="O" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0181</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Didehydro" full_name="2-amino-3-oxo-butanoic_acid" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 20:23:58" - date_time_modified="2008-07-30 12:01:47" - approved="1" - record_id="401"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational" - spec_group="2"> - <umod:misc_notes>oxoalanine formylglycine</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="K" position="Any C-term" classification="Artefact" - spec_group="4"> - <umod:misc_notes>Lactone formation from C-terminal hydroxylysine</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="-2.015650" avge_mass="-2.0159" composition="H(-2)"> - <umod:element symbol="H" number="-2"/> - </umod:delta> - <umod:alt_name>oxoalanine</umod:alt_name> - <umod:xref> - <umod:text>AA0183</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0185</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>9252331</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0365</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>OXOAS</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>DHY</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15705169</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Cys->Oxoalanine" full_name="oxoalanine" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 20:29:10" - date_time_modified="2006-10-17 18:25:23" - approved="1" - record_id="402"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="-17.992806" avge_mass="-18.0815" composition="H(-2) O S(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - <umod:alt_name>formylglycine</umod:alt_name> - <umod:xref> - <umod:text>AA0185</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>OXOAC</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Dierks T, Miech C, Hummerjohann J, Schmidt B, Kertesz MA, von Figura K. Posttranslational formation of formylglycine in prokaryotic sulfatases by modification of either cysteine or serine. J. Biol. Chem. 1998; 273: 25 560</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Ser->LacticAcid" full_name="lactic acid from N-term Ser" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 20:34:16" - date_time_modified="2006-10-13 17:18:52" - approved="1" - record_id="403"> - <umod:specificity hidden="1" site="S" position="Protein N-term" - classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="-15.010899" avge_mass="-15.0146" composition="H(-1) N(-1)"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="N" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0186</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="GluGlu" full_name="diglutamyl" username_of_poster="vcavett" - group_of_poster="users" - date_time_posted="2005-10-18 15:17:59" - date_time_modified="2006-10-17 13:49:07" - approved="0" - record_id="451"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="C-term" position="Protein C-term" - classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="258.085186" avge_mass="258.2280" composition="H(14) C(10) N(2) O(6)"> - <umod:element symbol="H" number="14"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="6"/> - </umod:delta> - <umod:xref> - <umod:text>J. Biol. Chem., Vol. 277, Issue 48, 46140-46144, November 29, 2002</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12356754</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Phosphoadenosine" full_name="AMP binding site" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 21:34:01" - date_time_modified="2006-10-16 15:53:49" - approved="1" - record_id="405"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational" - spec_group="4"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Post-translational" - spec_group="3"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="329.052520" avge_mass="329.2059" - composition="H(12) C(10) N(5) O(6) P"> - <umod:element symbol="H" number="12"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="5"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0371</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0227</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0203</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0267</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Glu" full_name="monoglutamyl" username_of_poster="vcavett" - group_of_poster="users" - date_time_posted="2005-10-18 15:07:18" - date_time_modified="2006-10-17 13:48:54" - approved="0" - record_id="450"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="C-term" position="Protein C-term" - classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="129.042593" avge_mass="129.1140" composition="H(7) C(5) N O(3)"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="3"/> - </umod:delta> - <umod:xref> - <umod:text>12356754</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>J. Biol. Chem., Vol. 277, Issue 48, 46140-46144, November 29, 2002</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Hydroxycinnamyl" full_name="hydroxycinnamyl" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 21:40:43" - date_time_modified="2006-10-16 14:02:07" - approved="1" - record_id="407"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="146.036779" avge_mass="146.1427" composition="H(6) C(9) O(2)"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>AA0207</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Glycosyl" full_name="glycosyl-L-hydroxyproline" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 21:57:16" - date_time_modified="2006-10-16 14:03:02" - approved="1" - record_id="408"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="O-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="148.037173" avge_mass="148.1140" composition="H(8) C(5) O(5)"> - <umod:element symbol="H" number="8"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="O" number="5"/> - </umod:delta> - <umod:xref> - <umod:text>AA0212</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="FMNH" full_name="flavin mononucleotide" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 22:09:45" - date_time_modified="2006-10-16 16:57:46" - approved="1" - record_id="409"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="454.088965" avge_mass="454.3279" - composition="H(19) C(17) N(4) O(9) P"> - <umod:element symbol="H" number="19"/> - <umod:element symbol="C" number="17"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="9"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0353</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0220</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0352</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>FMNH</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Archaeol" full_name="S-diphytanylglycerol diether" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-11 22:15:37" - date_time_modified="2006-10-16 17:10:59" - approved="1" - record_id="410"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="634.662782" avge_mass="635.1417" composition="H(86) C(43) O(2)"> - <umod:element symbol="H" number="86"/> - <umod:element symbol="C" number="43"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>AA0223</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>ARCH</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Phenylisocyanate" full_name="phenyl isocyanate" - username_of_poster="TING" - group_of_poster="users" - date_time_posted="2005-10-14 21:13:16" - date_time_modified="2006-10-16 12:48:08" - approved="1" - record_id="411"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="119.037114" avge_mass="119.1207" composition="H(5) C(7) N O"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Phenylisocyanate:2H(5)" full_name="d5-phenyl isocyanate" - username_of_poster="TING" - group_of_poster="users" - date_time_posted="2005-10-14 21:16:11" - date_time_modified="2006-10-16 13:35:26" - approved="1" - record_id="412"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="124.068498" avge_mass="124.1515" composition="2H(5) C(7) N O"> - <umod:element symbol="2H" number="5"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Phosphoguanosine" full_name="phospho-guanosine" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 15:50:03" - date_time_modified="2006-10-16 16:01:42" - approved="1" - record_id="413"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="345.047435" avge_mass="345.2053" - composition="H(12) C(10) N(5) O(7) P"> - <umod:element symbol="H" number="12"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="5"/> - <umod:element symbol="O" number="7"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0325</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0228</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Hydroxymethyl" full_name="hydroxymethyl" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 16:12:56" - date_time_modified="2006-10-15 18:04:18" - approved="1" - record_id="414"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="30.010565" avge_mass="30.0260" composition="H(2) C O"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0236</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="MolybdopterinGD+Delta:S(-1)Se(1)" - full_name="L-selenocysteinyl molybdenum bis(molybdopterin guanine dinucleotide)" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 16:27:56" - date_time_modified="2006-10-17 11:44:58" - approved="1" - record_id="415"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="1620.930224" avge_mass="1618.9096" - composition="H(47) C(40) N(20) O(26) P(4) S(3) Se Mo"> - <umod:element symbol="H" number="47"/> - <umod:element symbol="C" number="40"/> - <umod:element symbol="N" number="20"/> - <umod:element symbol="O" number="26"/> - <umod:element symbol="P" number="4"/> - <umod:element symbol="S" number="3"/> - <umod:element symbol="Se" number="1"/> - <umod:element symbol="Mo" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0248</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Dipyrrolylmethanemethyl" full_name="dipyrrolylmethanemethyl" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 16:33:24" - date_time_modified="2006-11-14 10:37:01" - approved="1" - record_id="416"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="418.137616" avge_mass="418.3973" composition="H(22) C(20) N(2) O(8)"> - <umod:element symbol="H" number="22"/> - <umod:element symbol="C" number="20"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="8"/> - </umod:delta> - <umod:xref> - <umod:text>AA0252</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="PhosphoUridine" full_name="uridine phosphodiester" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 16:38:18" - date_time_modified="2006-10-16 15:52:11" - approved="1" - record_id="417"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="306.025302" avge_mass="306.1660" - composition="H(11) C(9) N(2) O(8) P"> - <umod:element symbol="H" number="11"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="8"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0256</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Glycerophospho" full_name="glycerophospho" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 17:02:51" - date_time_modified="2006-10-16 14:03:40" - approved="1" - record_id="419"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="154.003110" avge_mass="154.0584" composition="H(7) C(3) O(5) P"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0264</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Carboxy->Thiocarboxy" full_name="thiocarboxylic acid" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 17:08:53" - date_time_modified="2006-10-14 10:59:20" - approved="1" - record_id="420"> - <umod:specificity hidden="1" site="G" position="Protein C-term" - classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="15.977156" avge_mass="16.0656" composition="O(-1) S"> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>THIOG</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0265</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Sulfide" full_name="persulfide" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 17:22:45" - date_time_modified="2006-10-15 18:05:03" - approved="1" - record_id="421"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="31.972071" avge_mass="32.0650" composition="S"> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>CYSP</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0269</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="PyruvicAcidIminyl" full_name="N-pyruvic acid 2-iminyl" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 17:30:48" - date_time_modified="2006-10-16 10:35:08" - approved="1" - record_id="422"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="3"/> - <umod:specificity hidden="1" site="V" position="Protein N-term" - classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Protein N-term" - classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="70.005479" avge_mass="70.0468" composition="H(2) C(3) O(2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>AA0287</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0274</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0275</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Delta:Se(1)" full_name="selenyl" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 17:49:48" - date_time_modified="2006-10-16 11:14:44" - approved="1" - record_id="423"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="79.916520" avge_mass="78.9600" composition="Se"> - <umod:element symbol="Se" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0277</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="MolybdopterinGD" - full_name="molybdenum bis(molybdopterin guanine dinucleotide)" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 17:53:48" - date_time_modified="2006-10-17 11:44:28" - approved="1" - record_id="424"> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="1572.985775" avge_mass="1572.0146" - composition="H(47) C(40) N(20) O(26) P(4) S(4) Mo"> - <umod:element symbol="H" number="47"/> - <umod:element symbol="C" number="40"/> - <umod:element symbol="N" number="20"/> - <umod:element symbol="O" number="26"/> - <umod:element symbol="P" number="4"/> - <umod:element symbol="S" number="4"/> - <umod:element symbol="Mo" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0281</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0375</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Dioxidation" full_name="dihydroxy" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 17:59:33" - date_time_modified="2006-10-15 18:19:52" - approved="1" - record_id="425"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Post-translational" - spec_group="7"> - <umod:misc_notes>trihydroxyphenylalanine</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Chemical derivative" - spec_group="6"> - <umod:misc_notes>tryptophan oxidation to formylkynurenin</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="F" position="Anywhere" classification="Chemical derivative" - spec_group="5"> - <umod:misc_notes>phenylalanine oxidation to dihydroxyphenylalanine</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="M" position="Anywhere" classification="Post-translational" - spec_group="4"> - <umod:misc_notes>Sulphone</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="3"/> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="8"> - <umod:misc_notes>sulfinic acid</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="31.989829" avge_mass="31.9988" composition="O(2)"> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>12686488</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0262</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>CSIA</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>MSONE</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>DIHYDR</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>9252331</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0251</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0370</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Berlett, Barbara S.; Stadtman, Earl R. Journal of Biological Chemistry (1997), 272(33), 20313-20316.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0282</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0369</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0263</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Hyun Ae Woo, et. al., Science Vol. 300. no. 5619, pp. 653 - 656</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Octanoyl" full_name="octanoyl" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 18:04:46" - date_time_modified="2006-10-16 13:38:44" - approved="1" - record_id="426"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="126.104465" avge_mass="126.1962" composition="H(14) C(8) O"> - <umod:element symbol="H" number="14"/> - <umod:element symbol="C" number="8"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0386</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0290</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>OCTA</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="PhosphoHexNAc" full_name="N-acetylglucosamine-1-phosphoryl" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 18:15:16" - date_time_modified="2006-10-16 15:48:40" - approved="1" - record_id="428"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Other glycosylation" - spec_group="1"/> - <umod:delta mono_mass="283.045704" avge_mass="283.1724" composition="H O(3) P HexNAc"> - <umod:element symbol="H" number="14"/> - <umod:element symbol="C" number="8"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="8"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0296</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="PhosphoHex" full_name="phosphoglycosyl-D-mannose-1-phosphoryl" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 18:18:51" - date_time_modified="2006-10-16 15:48:55" - approved="1" - record_id="429"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Other glycosylation" - spec_group="1"/> - <umod:delta mono_mass="242.019154" avge_mass="242.1205" composition="H O(3) P Hex"> - <umod:element symbol="H" number="11"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="O" number="8"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0297</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Palmitoleyl" full_name="palmitoleyl" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 19:57:30" - date_time_modified="2006-10-16 15:36:51" - approved="1" - record_id="431"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="236.214016" avge_mass="236.3929" composition="H(28) C(16) O"> - <umod:element symbol="H" number="28"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0308</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>PALE</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Cholesterol" full_name="cholesterol ester" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 20:00:10" - date_time_modified="2006-10-16 16:36:21" - approved="1" - record_id="432"> - <umod:specificity hidden="1" site="C-term" position="Protein C-term" - classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="368.344302" avge_mass="368.6383" composition="H(44) C(27)"> - <umod:element symbol="H" number="44"/> - <umod:element symbol="C" number="27"/> - </umod:delta> - <umod:xref> - <umod:text>AA0309</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>CHOL</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Didehydroretinylidene" full_name="3,4-didehydroretinylidene" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 20:05:19" - date_time_modified="2006-10-16 15:46:50" - approved="1" - record_id="433"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="264.187801" avge_mass="264.4046" composition="H(24) C(20)"> - <umod:element symbol="H" number="24"/> - <umod:element symbol="C" number="20"/> - </umod:delta> - <umod:xref> - <umod:text>AA0312</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="CHDH" full_name="cis-14-hydroxy-10,13-dioxo-7-heptadecenoic ester" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 20:08:49" - date_time_modified="2006-10-16 15:49:28" - approved="1" - record_id="434"> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="294.183109" avge_mass="294.3859" composition="H(26) C(17) O(4)"> - <umod:element symbol="H" number="26"/> - <umod:element symbol="C" number="17"/> - <umod:element symbol="O" number="4"/> - </umod:delta> - <umod:xref> - <umod:text>AA0316</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>CHDH</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Methylpyrroline" full_name="4-methyl-delta-1-pyrroline-5-carboxyl" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 20:21:00" - date_time_modified="2006-10-16 13:37:33" - approved="1" - record_id="435"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="109.052764" avge_mass="109.1259" composition="H(7) C(6) N O"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0321</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>PYRK</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Hydroxyheme" full_name="hydroxyheme" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 20:29:16" - date_time_modified="2006-10-16 17:10:10" - approved="1" - record_id="436"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="614.161645" avge_mass="614.4714" - composition="H(30) C(34) N(4) O(4) Fe"> - <umod:element symbol="H" number="30"/> - <umod:element symbol="C" number="34"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="Fe" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0324</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="MicrocinC7" - full_name="(3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5-adenosine" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 20:36:37" - date_time_modified="2006-10-16 16:40:21" - approved="1" - record_id="437"> - <umod:specificity hidden="1" site="C-term" position="Protein C-term" - classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="386.110369" avge_mass="386.3003" - composition="H(19) C(13) N(6) O(6) P"> - <umod:element symbol="H" number="19"/> - <umod:element symbol="C" number="13"/> - <umod:element symbol="N" number="6"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0328</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Cyano" full_name="cyano" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 20:42:40" - date_time_modified="2006-10-14 19:43:48" - approved="1" - record_id="438"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="24.995249" avge_mass="25.0095" composition="H(-1) C N"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0333</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Diironsubcluster" full_name="hydrogenase diiron subcluster" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 20:46:03" - date_time_modified="2006-10-16 16:01:22" - approved="1" - record_id="439"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="342.786916" avge_mass="342.8760" - composition="H(-1) C(5) N(2) O(5) S(2) Fe(2)"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="S" number="2"/> - <umod:element symbol="Fe" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>AA0334</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Amidino" full_name="amidino" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 20:49:10" - date_time_modified="2006-10-15 19:58:03" - approved="1" - record_id="440"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="42.021798" avge_mass="42.0400" composition="H(2) C N(2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>AA0335</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="FMN" full_name="O3-(riboflavin phosphoryl)" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 21:11:32" - date_time_modified="2006-10-16 16:47:27" - approved="1" - record_id="442"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="438.094051" avge_mass="438.3285" - composition="H(19) C(17) N(4) O(8) P"> - <umod:element symbol="H" number="19"/> - <umod:element symbol="C" number="17"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="8"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0350</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0349</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>FMN</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="FMNC" full_name="S-(4a-FMN)" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 21:21:47" - date_time_modified="2006-10-16 16:58:10" - approved="1" - record_id="443"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="456.104615" avge_mass="456.3438" - composition="H(21) C(17) N(4) O(9) P"> - <umod:element symbol="H" number="21"/> - <umod:element symbol="C" number="17"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="9"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0351</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>FMNC</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="CuSMo" full_name="copper sulfido molybdopterin cytosine dinuncleotide" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 21:34:38" - date_time_modified="2006-10-16 17:20:14" - approved="1" - record_id="444"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="922.834855" avge_mass="922.0670" - composition="H(24) C(19) N(8) O(15) P(2) S(3) Cu Mo"> - <umod:element symbol="H" number="24"/> - <umod:element symbol="C" number="19"/> - <umod:element symbol="N" number="8"/> - <umod:element symbol="O" number="15"/> - <umod:element symbol="P" number="2"/> - <umod:element symbol="S" number="3"/> - <umod:element symbol="Mo" number="1"/> - <umod:element symbol="Cu" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0355</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Hydroxytrimethyl" full_name="5-hydroxy-N6,N6,N6-trimethyl" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 21:40:08" - date_time_modified="2006-10-16 10:28:02" - approved="1" - record_id="445"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="59.049690" avge_mass="59.0871" composition="H(7) C(3) O"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0359</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>TRIMETK</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Deoxy" full_name="reduction" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 22:00:35" - date_time_modified="2006-10-13 17:16:30" - approved="1" - record_id="447"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="3"> - <umod:misc_notes>Beta elimination of O-glycosylation under alkaline conditions followed by reduction</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="2"> - <umod:misc_notes>Beta elimination of O-glycosylation under alkaline conditions followed by reduction</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="-15.994915" avge_mass="-15.9994" composition="O(-1)"> - <umod:element symbol="O" number="-1"/> - </umod:delta> - <umod:alt_name>Serine to Alanine</umod:alt_name> - <umod:alt_name>Threonine to a-aminobutyrate</umod:alt_name> - <umod:xref> - <umod:text>AA0191</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>14235557</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0373</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Microcin" full_name="microcin E492 siderophore ester from serine" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 22:04:46" - date_time_modified="2006-10-16 17:18:24" - approved="1" - record_id="448"> - <umod:specificity hidden="1" site="C-term" position="Protein C-term" - classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="831.197041" avge_mass="831.6871" - composition="H(37) C(36) N(3) O(20)"> - <umod:element symbol="H" number="37"/> - <umod:element symbol="C" number="36"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="20"/> - </umod:delta> - <umod:xref> - <umod:text>AA0374</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Decanoyl" full_name="lipid" username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2005-10-15 22:14:11" - date_time_modified="2006-10-16 14:04:24" - approved="1" - record_id="449"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="154.135765" avge_mass="154.2493" composition="H(18) C(10) O"> - <umod:element symbol="H" number="18"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>AA0387</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>AA0385</umod:text> - <umod:source>RESID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>DECA</umod:text> - <umod:source>FindMod</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="GluGluGlu" full_name="triglutamyl" username_of_poster="vcavett" - group_of_poster="users" - date_time_posted="2005-10-18 15:21:01" - date_time_modified="2006-10-17 14:11:11" - approved="0" - record_id="452"> - <umod:specificity hidden="1" site="C-term" position="Protein C-term" - classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:delta mono_mass="387.127779" avge_mass="387.3419" composition="H(21) C(15) N(3) O(9)"> - <umod:element symbol="H" number="21"/> - <umod:element symbol="C" number="15"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="9"/> - </umod:delta> - <umod:xref> - <umod:text>12356754</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>J. Biol. Chem., Vol. 277, Issue 48, 46140-46144, November 29, 2002</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="GluGluGluGlu" full_name="tetraglutamyl" username_of_poster="vcavett" - group_of_poster="users" - date_time_posted="2005-10-18 15:22:24" - date_time_modified="2006-10-17 14:16:56" - approved="0" - record_id="453"> - <umod:specificity hidden="1" site="C-term" position="Protein C-term" - classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:delta mono_mass="516.170373" avge_mass="516.4559" - composition="H(28) C(20) N(4) O(12)"> - <umod:element symbol="H" number="28"/> - <umod:element symbol="C" number="20"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="12"/> - </umod:delta> - <umod:xref> - <umod:text>J. Biol. Chem., Vol. 277, Issue 48, 46140-46144, November 29, 2002</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12356754</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="HexN" full_name="Hexosamine" username_of_poster="xyuan" - group_of_poster="users" - date_time_posted="2005-11-08 18:58:20" - date_time_modified="2006-10-16 14:09:11" - approved="1" - record_id="454"> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="N-linked glycosylation" - spec_group="4"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="O-linked glycosylation" - spec_group="3"/> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" - classification="Synth. pep. protect. gp." - spec_group="1"/> - <umod:delta mono_mass="161.068808" avge_mass="161.1558" composition="H(11) C(6) N O(4)"> - <umod:element symbol="H" number="11"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="4"/> - </umod:delta> - <umod:alt_name>Galactosamine</umod:alt_name> - <umod:alt_name>Glucosamine</umod:alt_name> - </umod:mod> - <umod:mod title="Xlink:DMP-s" full_name="One end of crosslink attached, one end free" - username_of_poster="mariana" - group_of_poster="users" - date_time_posted="2005-11-08 20:09:24" - date_time_modified="2006-10-17 13:39:17" - approved="0" - record_id="455"> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="154.110613" avge_mass="154.2096" composition="H(14) C(8) N(2) O"> - <umod:element symbol="H" number="14"/> - <umod:element symbol="C" number="8"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>Dimethyl pimelimidate</umod:alt_name> - <umod:xref> - <umod:text>Imidoester Cross-linkers</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.piercenet.com/files/0668ss5.pdf</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Packman, L.C. and Perhan, R.N. (1982). Quaternary Structures the Pyruvate Dehydrogenase Multienzyme Complex of Bacillus Stearothermophilus Studies by a New Reversible Crosslinking Procedure with Bis(imidoesters). Biochem. 21, 5171-5175.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Hand, E.S., and Jencks, W.P. (1962). Mechanism of the reaction of imidoesters with amines. J. Am. Chem. Soc. 84, 3505-3514.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Xlink:DMP" full_name="Both ends of crosslink attached to same peptide" - username_of_poster="mariana" - group_of_poster="users" - date_time_posted="2005-11-08 20:15:20" - date_time_modified="2006-10-17 13:38:09" - approved="0" - record_id="456"> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" - classification="Chemical derivative" - spec_group="2"> - <umod:misc_notes>Dimethyl pimelimidate, reaction with both ends</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"> - <umod:misc_notes>Dimethyl pimelimidate, reaction with both ends</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="122.084398" avge_mass="122.1677" composition="H(10) C(7) N(2)"> - <umod:element symbol="H" number="10"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="2"/> - </umod:delta> - <umod:alt_name>Dimethyl pimelimidate</umod:alt_name> - <umod:xref> - <umod:text>Imidoester Cross-linkers</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.piercenet.com/files/0668ss5.pdf</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Hand, E.S., and Jencks, W.P. (1962). Mechanism of the reaction of imidoesters with amines. J. Am. Chem. Soc. 84, 3505-3514.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Packman, L.C. and Perhan, R.N. (1982). Quaternary Structures the Pyruvate Dehydrogenase Multienzyme Complex of Bacillus StearothermophilusStudies by a New Reversible Crosslinking Procedure with Bis(imidoesters). Biochem. 21, 5171-5175.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="NDA" full_name="naphthalene-2,3-dicarboxaldehyde" - username_of_poster="Dekker" - group_of_poster="users" - date_time_posted="2005-11-11 11:03:32" - date_time_modified="2006-10-17 13:41:04" - approved="0" - record_id="457"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="175.042199" avge_mass="175.1855" composition="H(5) C(13) N"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="13"/> - <umod:element symbol="N" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>2081203</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>fluorescent derivative</umod:misc_notes> - </umod:mod> - <umod:mod title="SPITC:13C(6)" full_name="4-sulfophenyl isothiocyanate (Heavy C13)" - username_of_poster="apanchaud" - group_of_poster="users" - date_time_posted="2005-12-19 08:37:57" - date_time_modified="2006-10-16 15:25:36" - approved="1" - record_id="464"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="220.991213" avge_mass="221.2054" - composition="H(5) C 13C(6) N O(3) S(2)"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="2"/> - </umod:delta> - <umod:alt_name>N-terminal / lysine sulfonation</umod:alt_name> - <umod:xref> - <umod:text>16526082</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Lee et al, Rapid Commun Mass Spetrom 2004, 18, 3019-3027</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="TMAB:2H(9)" full_name="d9-4-trimethyllammoniumbutyryl-" - username_of_poster="xwei" - group_of_poster="users" - date_time_posted="2006-02-15 18:36:06" - date_time_modified="2006-10-17 12:08:34" - approved="0" - record_id="477"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"> - <umod:NeutralLoss mono_mass="68.129990" avge_mass="68.1657" flag="false" - composition="2H(9) C(3) N"> - <umod:element symbol="2H" number="9"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:NeutralLoss mono_mass="68.129990" avge_mass="68.1657" flag="false" - composition="2H(9) C(3) N"> - <umod:element symbol="2H" number="9"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:delta mono_mass="137.164030" avge_mass="137.2476" composition="H(5) 2H(9) C(7) N O"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="2H" number="9"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>J. Mass Spectrom. 2005; 40: 238-249</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="TMAB" full_name="4-trimethyllammoniumbutyryl-" username_of_poster="xwei" - group_of_poster="users" - date_time_posted="2006-02-15 03:10:16" - date_time_modified="2006-10-17 12:08:04" - approved="0" - record_id="476"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"> - <umod:NeutralLoss mono_mass="59.073499" avge_mass="59.1103" flag="false" - composition="H(9) C(3) N"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:NeutralLoss mono_mass="59.073499" avge_mass="59.1103" flag="false" - composition="H(9) C(3) N"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - </umod:NeutralLoss> - </umod:specificity> - <umod:delta mono_mass="128.107539" avge_mass="128.1922" composition="H(14) C(7) N O"> - <umod:element symbol="H" number="14"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>J. Mass Spectrom. 2005; 40: 238-249</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="FTC" full_name="fluorescein-5-thiosemicarbazide" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2006-02-20 11:15:03" - date_time_modified="2006-10-16 16:45:27" - approved="1" - record_id="478"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="5"/> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="4"/> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="421.073241" avge_mass="421.4259" - composition="H(15) C(21) N(3) O(5) S"> - <umod:element symbol="H" number="15"/> - <umod:element symbol="C" number="21"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Ahn, B., Rhee, S.G., and Stadtmann, E. R. (1987) Anal. Biochem.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="AEC-MAEC" full_name="aminoethylcysteine" username_of_poster="mpcusack" - group_of_poster="users" - date_time_posted="2006-01-20 00:46:08" - date_time_modified="2007-09-26 22:43:16" - approved="0" - record_id="472"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"> - <umod:misc_notes>pT gives beta-methylaminoethylcysteine</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"> - <umod:misc_notes>pS gives aminoethylcysteine</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="59.019355" avge_mass="59.1334" composition="H(5) C(2) N O(-1) S"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>beta-methylaminoethylcysteine</umod:alt_name> - <umod:xref> - <umod:text>Z. A. Knight et al, Nature Biotech., 21(9) 1047-1054 (2003)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Modification procedure used for phosphopeptide mapping</umod:misc_notes> - </umod:mod> - <umod:mod title="BADGE" full_name="Bisphenol A diglycidyl ether derivative" - username_of_poster="TNO" - group_of_poster="users" - date_time_posted="2006-03-27 09:30:54" - date_time_modified="2006-10-17 14:09:11" - approved="0" - record_id="493"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Non-standard residue" - spec_group="1"> - <umod:misc_notes>found in canned food products</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="340.167459" avge_mass="340.4129" composition="H(24) C(21) O(4)"> - <umod:element symbol="H" number="24"/> - <umod:element symbol="C" number="21"/> - <umod:element symbol="O" number="4"/> - </umod:delta> - <umod:xref> - <umod:text>Berger U, Oehme M, Girardin L., Fresenius J Anal Chem. 2001 Jan 2;369(2):115-23.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Found in canned food products</umod:misc_notes> - </umod:mod> - <umod:mod title="Label:2H(4)" full_name="4,4,5,5-D4 Lysine" username_of_poster="yunwah" - group_of_poster="users" - date_time_posted="2006-02-20 11:44:19" - date_time_modified="2006-10-17 11:52:44" - approved="0" - record_id="481"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="4.025107" avge_mass="4.0246" composition="H(-4) 2H(4)"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="2H" number="4"/> - </umod:delta> - <umod:alt_name>K4</umod:alt_name> - <umod:misc_notes>For SILAC experiments</umod:misc_notes> - </umod:mod> - <umod:mod title="Hep" full_name="Heptose" username_of_poster="anikolakakis" - group_of_poster="users" - date_time_posted="2006-03-24 15:59:43" - date_time_modified="2006-10-16 15:08:16" - approved="1" - record_id="490"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="O-linked glycosylation" - spec_group="6"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="O-linked glycosylation" - spec_group="5"/> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="N-linked glycosylation" - spec_group="4"/> - <umod:specificity hidden="1" site="Q" position="Anywhere" classification="N-linked glycosylation" - spec_group="3"/> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="N-linked glycosylation" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="N-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="192.063388" avge_mass="192.1666" composition="Hep"> - <umod:element symbol="H" number="12"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="O" number="6"/> - </umod:delta> - </umod:mod> - <umod:mod title="CyDye-Cy5" full_name="Cy5 CyDye DIGE Fluor saturation dye" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2006-03-27 11:53:04" - date_time_modified="2006-10-17 14:18:49" - approved="0" - record_id="495"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="684.298156" avge_mass="684.8442" - composition="H(44) C(38) N(4) O(6) S"> - <umod:element symbol="H" number="44"/> - <umod:element symbol="C" number="38"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Amersham (GE Healthcare) instruction leaflet 25800983PL Rev-B, 2003</umod:text> - <umod:source>Other</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>12872219</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="DHP" - full_name="Dehydropyrrolizidine alkaloid (dehydroretronecine) on cysteines" - username_of_poster="rowanrainbow" - group_of_poster="users" - date_time_posted="2006-03-07 08:40:13" - date_time_modified="2006-10-17 12:07:19" - approved="0" - record_id="488"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="118.065674" avge_mass="118.1558" composition="H(8) C(8) N"> - <umod:element symbol="H" number="8"/> - <umod:element symbol="C" number="8"/> - <umod:element symbol="N" number="1"/> - </umod:delta> - <umod:alt_name>Dehydroretronecine</umod:alt_name> - <umod:xref> - <umod:text>16222722</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="BHTOH" - full_name="Michael addition of t-butyl hydroxylated BHT (BHTOH) to C, H or K" - username_of_poster="rkupfer" - group_of_poster="users" - date_time_posted="2006-04-10 19:27:51" - date_time_modified="2006-10-17 13:42:22" - approved="0" - record_id="498"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Other" spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Other" spec_group="1"> - <umod:misc_notes>primary adduct</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="3"/> - <umod:delta mono_mass="234.161980" avge_mass="234.3340" composition="H(22) C(15) O(2)"> - <umod:element symbol="H" number="22"/> - <umod:element symbol="C" number="15"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>t-butyl hydroxylated BHT</umod:alt_name> - <umod:xref> - <umod:text>16533022</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>BHTOH is formed upon metabolism of BHT with P450 enzymes. The BHTOH is further metabolized to its quinone methide (electrophile) which reacts with -SH and -NH2 groups</umod:misc_notes> - </umod:mod> - <umod:mod title="IGBP:13C(2)" full_name="Heavy IDBEST tag for quantitation" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2006-04-14 18:44:41" - date_time_modified="2006-10-19 10:48:25" - approved="1" - record_id="499"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="298.022748" avge_mass="299.1331" - composition="H(13) C(10) 13C(2) N(2) O(2) Br"> - <umod:element symbol="H" number="13"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="13C" number="2"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="Br" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Under construction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.targetdiscovery.com/index.php?topic=prod.idbe</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Target discovery , Inc. IDBEST IGBP user manual</umod:text> - <umod:source>Other</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Nmethylmaleimide+water" full_name="Nmethylmaleimidehydrolysis" - username_of_poster="whaskins" - group_of_poster="users" - date_time_posted="2006-04-14 22:58:34" - date_time_modified="2006-10-17 12:12:40" - approved="0" - record_id="500"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="129.042593" avge_mass="129.1140" composition="H(7) C(5) N O(3)"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="3"/> - </umod:delta> - <umod:xref> - <umod:text>Chemistry of Protein Conjugation and Crosslinking by Shan S. Wong, 1991, pg.32</umod:text> - <umod:source>Book</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="PyMIC" full_name="3-methyl-2-pyridyl isocyanate" - username_of_poster="TING" - group_of_poster="users" - date_time_posted="2006-04-18 20:46:17" - date_time_modified="2006-10-17 12:19:15" - approved="0" - record_id="501"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="134.048013" avge_mass="134.1353" composition="H(6) C(7) N(2) O"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="LG-lactam-K" full_name="Levuglandinyl - lysine lactam adduct" - username_of_poster="alexparf" - group_of_poster="users" - date_time_posted="2006-04-27 17:56:39" - date_time_modified="2006-11-14 12:04:37" - approved="0" - record_id="503"> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" - classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="332.198760" avge_mass="332.4339" composition="H(28) C(20) O(4)"> - <umod:element symbol="H" number="28"/> - <umod:element symbol="C" number="20"/> - <umod:element symbol="O" number="4"/> - </umod:delta> - <umod:xref> - <umod:text>Salomon RG. Antioxid Redox Signal. 2005 Jan-Feb;7(1-2):185-201.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Salomon RG. Chem Phys Lipids. 2005 Mar;134(1):1-20.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15650407</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15752459</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="BisANS" - full_name="4,4\'-dianilino-1,1\'-binaphthyl-5,5\'-disulfonic acid" - username_of_poster="app95d" - group_of_poster="users" - date_time_posted="2006-07-05 23:31:08" - date_time_modified="2006-10-17 14:18:24" - approved="0" - record_id="519"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="592.076278" avge_mass="592.6410" - composition="H(20) C(32) N(2) O(6) S(2)"> - <umod:element symbol="H" number="20"/> - <umod:element symbol="C" number="32"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="S" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>Pierce, A., Dewaal, E., Vanremmen, H., Richardson, A. & Chaudhuri, A. (2006). A Novel Approach for Screening the Proteome for Changes in Protein Conformation. Biochemistry 45, 3077-3085.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Piperidine" full_name="Piperidination" username_of_poster="PhilipHsu" - group_of_poster="users" - date_time_posted="2006-07-20 08:37:21" - date_time_modified="2006-10-17 12:05:44" - approved="0" - record_id="520"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="68.062600" avge_mass="68.1170" composition="H(8) C(5)"> - <umod:element symbol="H" number="8"/> - <umod:element symbol="C" number="5"/> - </umod:delta> - <umod:xref> - <umod:text>Jue-Liang Hsu, Sheng-Yu Huang, and Shu-Hui Chen. Stable-Isotope based Multiplex Labeling Coupled with LC-MS/MS, HUPO 3rd ANNUAL WORLD CONGRESS, Bejing (China) 2004</umod:text> - <umod:source>Other</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Diethyl" full_name="Diethylation, analogous to Dimethylation" - username_of_poster="PhilipHsu" - group_of_poster="users" - date_time_posted="2006-06-15 07:18:26" - date_time_modified="2006-10-17 12:00:33" - approved="0" - record_id="518"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="56.062600" avge_mass="56.1063" composition="H(8) C(4)"> - <umod:element symbol="H" number="8"/> - <umod:element symbol="C" number="4"/> - </umod:delta> - <umod:xref> - <umod:text>J. Proteome Res. 2005, 4, 101-108.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="LG-Hlactam-K" full_name="Levuglandinyl - lysine hydroxylactam adduct" - username_of_poster="alexparf" - group_of_poster="users" - date_time_posted="2006-04-27 18:02:17" - date_time_modified="2006-11-14 12:04:47" - approved="0" - record_id="504"> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" - classification="Post-translational" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="348.193674" avge_mass="348.4333" composition="H(28) C(20) O(5)"> - <umod:element symbol="H" number="28"/> - <umod:element symbol="C" number="20"/> - <umod:element symbol="O" number="5"/> - </umod:delta> - <umod:xref> - <umod:text>Salomon RG. Antioxid Redox Signal. 2005 Jan-Feb;7(1-2):185-201.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Salomon RG. Chem Phys Lipids. 2005 Mar;134(1):1-20.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15650407</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15752459</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Dimethyl:2H(4)13C(2)" full_name="DiMethyl-C13HD2" - username_of_poster="oded" - group_of_poster="users" - date_time_posted="2006-05-08 22:03:41" - date_time_modified="2006-10-15 18:26:15" - approved="1" - record_id="510"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="34.063117" avge_mass="34.0631" composition="2H(4) 13C(2)"> - <umod:element symbol="2H" number="4"/> - <umod:element symbol="13C" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>16335955</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>J Proteome Res. 2005 Nov-Dec;4(6):2099-108</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="C8-QAT" - full_name="[3-(2,5)-Dioxopyrrolidin-1-yloxycarbonyl)-propyl]dimethyloctylammonium" - username_of_poster="amadian" - group_of_poster="users" - date_time_posted="2006-05-13 20:55:20" - date_time_modified="2006-12-03 19:43:27" - approved="0" - record_id="513"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="227.224915" avge_mass="227.3862" composition="H(29) C(14) N O"> - <umod:element symbol="H" number="29"/> - <umod:element symbol="C" number="14"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>16771548</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Hex(2)" full_name="Lactosylation" username_of_poster="molle" - group_of_poster="users" - date_time_posted="2006-05-11 13:21:17" - date_time_modified="2006-10-17 13:44:30" - approved="0" - record_id="512"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Other glycosylation" - spec_group="2"> - <umod:misc_notes>Maillard reaction (first event)</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other glycosylation" - spec_group="1"> - <umod:misc_notes>Maillard reaction (first event)</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="324.105647" avge_mass="324.2812" composition="Hex(2)"> - <umod:element symbol="H" number="20"/> - <umod:element symbol="C" number="12"/> - <umod:element symbol="O" number="10"/> - </umod:delta> - <umod:alt_name>lac</umod:alt_name> - <umod:xref> - <umod:text>ANALYTICAL BIOCHEMISTRY 259, 152-161 (1998)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>BIOCHIMECAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 236, 413-417 (1997)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Lactosylation of bovine Beta-Lactoglobulin</umod:misc_notes> - </umod:mod> - <umod:mod title="LG-lactam-R" full_name="Levuglandinyl - arginine lactam adduct" - username_of_poster="alexparf" - group_of_poster="users" - date_time_posted="2006-04-27 18:05:11" - date_time_modified="2006-10-17 14:08:20" - approved="0" - record_id="505"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="290.176961" avge_mass="290.3939" - composition="H(26) C(19) N(-2) O(4)"> - <umod:element symbol="H" number="26"/> - <umod:element symbol="C" number="19"/> - <umod:element symbol="N" number="-2"/> - <umod:element symbol="O" number="4"/> - </umod:delta> - <umod:xref> - <umod:text>15650407</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15752459</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Salomon RG. Chem Phys Lipids. 2005 Mar;134(1):1-20.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Salomon RG. Antioxid Redox Signal. 2005 Jan-Feb;7(1-2):185-201.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="CLIP_TRAQ_1" full_name="CLIP_TRAQ_1" username_of_poster="overalllab" - group_of_poster="users" - date_time_posted="2006-09-15 02:21:17" - date_time_modified="2006-10-17 18:03:21" - approved="0" - record_id="524"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>Side reaction, low abundance</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="140.094963" avge_mass="140.1830" composition="H(12) C(7) N(2) O"> - <umod:element symbol="H" number="12"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>CLIP_TRAQ_single</umod:alt_name> - <umod:misc_notes>CLIP-TRAQ-1 H(17) C(11) N(3) O(4) is an in-house made compound that reacts with primary amines through a N-hydroxysuccinimide group leading to a 140.0949 Da mass shift (monoisotopic) in MS mode. The reporter ion in MS/MS mode is 113 m/z. (See also CLIP-TRAQ-2).</umod:misc_notes> - </umod:mod> - <umod:mod title="CLIP_TRAQ_2" full_name="CLIP_TRAQ_2" username_of_poster="overalllab" - group_of_poster="users" - date_time_posted="2006-09-15 02:25:46" - date_time_modified="2006-10-17 18:04:46" - approved="0" - record_id="525"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>Side reaction, low abundance</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="141.098318" avge_mass="141.1756" composition="H(12) C(6) 13C N(2) O"> - <umod:element symbol="H" number="12"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="13C" number="1"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>CLIP_TRAQ_double</umod:alt_name> - <umod:misc_notes>CLIP-TRAQ-2 H(17) C(10) C13 N(3) O(4) is an in-house made compound that reacts with primary amines through a N-hydroxysuccinimide group leading to a 141.0983 Da mass shift (monoisotopic) in MS mode. The reporter ion in MS/MS mode can either be 113 or 114 m/z depending on the position of isotopic C13 in the molecule. (Fahlman, R. and Overall, C.M. in preparation).</umod:misc_notes> - </umod:mod> - <umod:mod title="LG-Hlactam-R" full_name="Levuglandinyl - arginine hydroxylactam adduct" - username_of_poster="alexparf" - group_of_poster="users" - date_time_posted="2006-04-27 18:08:11" - date_time_modified="2006-10-17 14:08:30" - approved="0" - record_id="506"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="306.171876" avge_mass="306.3933" - composition="H(26) C(19) N(-2) O(5)"> - <umod:element symbol="H" number="26"/> - <umod:element symbol="C" number="19"/> - <umod:element symbol="N" number="-2"/> - <umod:element symbol="O" number="5"/> - </umod:delta> - <umod:xref> - <umod:text>15650407</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15752459</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Salomon RG. Chem Phys Lipids. 2005 Mar;134(1):1-20.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Salomon RG. Antioxid Redox Signal. 2005 Jan-Feb;7(1-2):185-201.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Maleimide-PEO2-Biotin" full_name="Maleimide-PEO2-Biotin" - username_of_poster="ericjohansen" - group_of_poster="users" - date_time_posted="2006-08-11 02:49:51" - date_time_modified="2006-10-17 14:17:58" - approved="0" - record_id="522"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="525.225719" avge_mass="525.6183" - composition="H(35) C(23) N(5) O(7) S"> - <umod:element symbol="H" number="35"/> - <umod:element symbol="C" number="23"/> - <umod:element symbol="N" number="5"/> - <umod:element symbol="O" number="7"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>Maleimide-PEG-Biotin</umod:alt_name> - <umod:xref> - <umod:text>EZ-Link Maleimide PEOn-Biotin</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.piercenet.com/Products/Browse.cfm?fldID=01031005</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Sulfo-NHS-LC-LC-Biotin" full_name="Sulfo-NHS-LC-LC-Biotin" - username_of_poster="unimod" - group_of_poster="admin" - date_time_posted="2006-08-31 18:01:50" - date_time_modified="2006-10-17 14:16:14" - approved="0" - record_id="523"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="452.245726" avge_mass="452.6106" - composition="H(36) C(22) N(4) O(4) S"> - <umod:element symbol="H" number="36"/> - <umod:element symbol="C" number="22"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>EZ-Link Sulfo-NHS-Biotin Reagents</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.piercenet.com/Products/Browse.cfm?fldID=8D38BA83-EFDC-421A-853F-E96EBA380612</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="FNEM" full_name="fluorescein-5-maleimide" username_of_poster="shure" - group_of_poster="users" - date_time_posted="2006-06-08 10:07:56" - date_time_modified="2006-10-17 14:15:03" - approved="0" - record_id="515"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"> - <umod:misc_notes>photosensitive</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="427.069202" avge_mass="427.3625" composition="H(13) C(24) N O(7)"> - <umod:element symbol="H" number="13"/> - <umod:element symbol="C" number="24"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="7"/> - </umod:delta> - <umod:alt_name>fluorescein-NEM</umod:alt_name> - <umod:xref> - <umod:text>9325338</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11665566</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Thiol-Reactive Probes</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://probes.invitrogen.com/media/pis/mp00003.pdf</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="PropylNAGthiazoline" - full_name="propyl-1,2-dideoxy-2\'-methyl-alpha-D-glucopyranoso-[2,1-d]-Delta2\'-thiazoline" - username_of_poster="mmacaule" - group_of_poster="users" - date_time_posted="2006-05-18 18:44:52" - date_time_modified="2006-11-14 10:35:19" - approved="0" - record_id="514"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Other glycosylation" - spec_group="1"/> - <umod:delta mono_mass="232.064354" avge_mass="232.2768" composition="H(14) C(9) N O(4) S"> - <umod:element symbol="H" number="14"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>15795231</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>In a recent publication (see reference), we have shown that family 84 glycoside hydrolases contain a deep pocket beneath the 2-acetamido group of its substrate (N-acetyl-glucosamine). With this strucual feature in mind, we have designed a specific inhibitor that contains a chloride group appended to the end of the propyl chain on a known inhibitor termed propyl-NAG-thiazoline. We have shown kinetically that this molecule is a potent suicide inhibitor of this enzyme famiy and now wish to know the precise residue which is acting as the nucleophile to dispace the choride atom. We have included all residues that are in the vacinity of the chloride atom that could potentially act in a nucleophilic manner.</umod:misc_notes> - </umod:mod> - <umod:mod title="Dethiomethyl" full_name="Prompt loss of side chain from oxidised Met" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-10-13 15:14:55" - date_time_modified="2006-10-13 17:02:27" - approved="1" - record_id="526"> - <umod:specificity hidden="1" site="M" position="Anywhere" classification="Artefact" - spec_group="1"/> - <umod:delta mono_mass="-48.003371" avge_mass="-48.1075" composition="H(-4) C(-1) S(-1)"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>9004526</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>More commonly seen as a neutral loss</umod:misc_notes> - </umod:mod> - <umod:mod title="iTRAQ4plex114" full_name="Accurate mass for 114" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-10-16 13:46:49" - date_time_modified="2006-12-09 18:48:09" - approved="0" - record_id="532"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>Low abundance</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="144.105918" avge_mass="144.1680" - composition="H(12) C(5) 13C(2) N(2) 18O"> - <umod:element symbol="H" number="12"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="13C" number="2"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="18O" number="1"/> - </umod:delta> - <umod:alt_name>Applied Biosystems iTRAQ(TM) multiplexed quantitation chemistry</umod:alt_name> - <umod:xref> - <umod:text>Applied Biosystems Chemistry Reference Guide</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://docs.appliedbiosystems.com/pebiodocs/04351918.pdf</umod:url> - </umod:xref> - <umod:misc_notes>Different channels have the same nominal mass but slightly different exact masses.</umod:misc_notes> - </umod:mod> - <umod:mod title="iTRAQ4plex115" full_name="Accurate mass for 115" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-10-16 13:48:16" - date_time_modified="2006-12-09 18:47:52" - approved="0" - record_id="533"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>Low abundance</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="144.099599" avge_mass="144.1688" - composition="H(12) C(6) 13C N 15N 18O"> - <umod:element symbol="H" number="12"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="13C" number="1"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="15N" number="1"/> - <umod:element symbol="18O" number="1"/> - </umod:delta> - <umod:alt_name>Applied Biosystems iTRAQ(TM) multiplexed quantitation chemistry</umod:alt_name> - <umod:xref> - <umod:text>Applied Biosystems Chemistry Reference Guide</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://docs.appliedbiosystems.com/pebiodocs/04351918.pdf</umod:url> - </umod:xref> - <umod:misc_notes>Different channels have the same nominal mass but slightly different exact masses.</umod:misc_notes> - </umod:mod> - <umod:mod title="Dibromo" full_name="Dibromo" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-10-16 14:06:38" - date_time_modified="2006-10-16 14:06:38" - approved="1" - record_id="534"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="155.821022" avge_mass="157.7921" composition="H(-2) Br(2)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="Br" number="2"/> - </umod:delta> - </umod:mod> - <umod:mod title="LeuArgGlyGly" full_name="Ubiquitination" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-10-16 16:39:05" - date_time_modified="2006-10-16 16:39:05" - approved="1" - record_id="535"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="383.228103" avge_mass="383.4460" composition="H(29) C(16) N(7) O(4)"> - <umod:element symbol="H" number="29"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="N" number="7"/> - <umod:element symbol="O" number="4"/> - </umod:delta> - <umod:alt_name>Addition of LRGG</umod:alt_name> - </umod:mod> - <umod:mod title="CLIP_TRAQ_3" full_name="CLIP_TRAQ_3" username_of_poster="overall" - group_of_poster="" - date_time_posted="2006-10-17 18:08:00" - date_time_modified="2006-10-17 18:11:03" - approved="0" - record_id="536"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>Low abundance</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="271.148736" avge_mass="271.2976" - composition="H(20) C(11) 13C N(3) O(4)"> - <umod:element symbol="H" number="20"/> - <umod:element symbol="C" number="11"/> - <umod:element symbol="13C" number="1"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="4"/> - </umod:delta> - <umod:misc_notes>CLIP_TRAQ_3 (H(20) C(11) C13 N(3) O(4) is an in-house made compound that reacts with primary amines through a N-hydroxysuccinimide group leading to a 155.1 Da mass shift (monoisotopic) in MS mode. The reporter ion in MS/MS mode can either be 127 or 128 m/z depending on the position of isotopic C13 in the molecule. (Fahlman, R. and Overall, C.M. in preparation).</umod:misc_notes> - </umod:mod> - <umod:mod title="CLIP_TRAQ_4" full_name="CLIP_TRAQ_4" username_of_poster="overall" - group_of_poster="" - date_time_posted="2006-10-17 18:09:22" - date_time_modified="2006-10-17 18:10:05" - approved="0" - record_id="537"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>Low abundance</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="244.101452" avge_mass="244.2292" - composition="H(15) C(9) 13C N(2) O(5)"> - <umod:element symbol="H" number="15"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="13C" number="1"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="5"/> - </umod:delta> - <umod:misc_notes>CLIP_TRAQ_4 is an in-house made compound that reacts with primary amines through a N-hydroxysuccinimide group leading to a 128.1 Da mass shift (monoisotopic) in MS mode. The reporter ion in MS/MS mode can either be 100 or 101 m/z depending on the position of isotopic C13 in the molecule. (Fahlman, R. and Overall, C.M. in preparation).</umod:misc_notes> - </umod:mod> - <umod:mod title="15dB-biotin" - full_name="15-deoxy-delta 12,14-Prostaglandin J2-biotinimide" - username_of_poster="sevgh" - group_of_poster="" - date_time_posted="2006-10-17 18:13:45" - date_time_modified="2006-10-17 18:13:45" - approved="0" - record_id="538"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="626.386577" avge_mass="626.8927" - composition="H(54) C(35) N(4) O(4) S"> - <umod:element symbol="H" number="54"/> - <umod:element symbol="C" number="35"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Cayman Chemical data sheet</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.caymanchem.com/pdfs/10141.pdf</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="PGA1-biotin" full_name="Prostaglandin A1-biotinimide" - username_of_poster="sevgh" - group_of_poster="" - date_time_posted="2006-10-17 18:24:06" - date_time_modified="2006-10-17 18:24:06" - approved="0" - record_id="539"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="660.428442" avge_mass="660.9504" - composition="H(60) C(36) N(4) O(5) S"> - <umod:element symbol="H" number="60"/> - <umod:element symbol="C" number="36"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="5"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Cayman Chemical data sheet</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.caymanchem.com/pdfs/10013.pdf</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Ala->Ser" full_name="Ala->Ser substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:07:30" - date_time_modified="2006-11-09 10:07:30" - approved="0" - record_id="540"> - <umod:specificity hidden="1" site="A" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="15.994915" avge_mass="15.9994" composition="O"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ala->Thr" full_name="Ala->Thr substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:13:43" - date_time_modified="2006-11-09 10:13:43" - approved="0" - record_id="541"> - <umod:specificity hidden="1" site="A" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="30.010565" avge_mass="30.0260" composition="H(2) C O"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ala->Asp" full_name="Ala->Asp substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:15:05" - date_time_modified="2006-11-09 10:15:05" - approved="0" - record_id="542"> - <umod:specificity hidden="1" site="A" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="43.989829" avge_mass="44.0095" composition="C O(2)"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ala->Pro" full_name="Ala->Pro substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:16:03" - date_time_modified="2006-11-09 10:16:03" - approved="0" - record_id="543"> - <umod:specificity hidden="1" site="A" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="26.015650" avge_mass="26.0373" composition="H(2) C(2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ala->Gly" full_name="Ala->Gly substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:16:35" - date_time_modified="2006-11-09 10:16:35" - approved="0" - record_id="544"> - <umod:specificity hidden="1" site="A" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-14.015650" avge_mass="-14.0266" composition="H(-2) C(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ala->Glu" full_name="Ala->Glu substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:19:56" - date_time_modified="2006-11-09 10:19:56" - approved="0" - record_id="545"> - <umod:specificity hidden="1" site="A" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="58.005479" avge_mass="58.0361" composition="H(2) C(2) O(2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ala->Val" full_name="Ala->Val substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:20:15" - date_time_modified="2006-11-09 10:20:15" - approved="0" - record_id="546"> - <umod:specificity hidden="1" site="A" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="28.031300" avge_mass="28.0532" composition="H(4) C(2)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Cys->Phe" full_name="Cys->Phe substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:20:41" - date_time_modified="2006-11-09 10:20:41" - approved="0" - record_id="547"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="44.059229" avge_mass="44.0310" composition="H(4) C(6) S(-1)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Cys->Ser" full_name="Cys->Ser substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:21:13" - date_time_modified="2006-11-09 10:21:13" - approved="0" - record_id="548"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-15.977156" avge_mass="-16.0656" composition="O S(-1)"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Cys->Trp" full_name="Cys->Trp substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:21:37" - date_time_modified="2006-11-09 10:21:37" - approved="0" - record_id="549"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="83.070128" avge_mass="83.0670" composition="H(5) C(8) N S(-1)"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="8"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Cys->Tyr" full_name="Cys->Tyr substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:22:04" - date_time_modified="2006-11-09 10:22:04" - approved="0" - record_id="550"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="60.054144" avge_mass="60.0304" composition="H(4) C(6) O S(-1)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Cys->Arg" full_name="Cys->Arg substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:22:25" - date_time_modified="2006-11-09 10:22:25" - approved="0" - record_id="551"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="53.091927" avge_mass="53.0428" composition="H(7) C(3) N(3) S(-1)"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Cys->Gly" full_name="Cys->Gly substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:22:43" - date_time_modified="2006-11-09 10:22:43" - approved="0" - record_id="552"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-45.987721" avge_mass="-46.0916" composition="H(-2) C(-1) S(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Asp->Ala" full_name="Asp->Ala substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:53:54" - date_time_modified="2006-11-09 10:53:54" - approved="0" - record_id="553"> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-43.989829" avge_mass="-44.0095" composition="C(-1) O(-2)"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Asp->His" full_name="Asp->His substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:55:25" - date_time_modified="2006-11-09 10:55:25" - approved="0" - record_id="554"> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="22.031969" avge_mass="22.0519" composition="H(2) C(2) N(2) O(-2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="-2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Asp->Asn" full_name="Asp->Asn substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:55:49" - date_time_modified="2006-11-09 10:55:49" - approved="0" - record_id="555"> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-0.984016" avge_mass="-0.9848" composition="H N O(-1)"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Asp->Gly" full_name="Asp->Gly substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:56:52" - date_time_modified="2006-11-09 10:56:52" - approved="0" - record_id="556"> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-58.005479" avge_mass="-58.0361" composition="H(-2) C(-2) O(-2)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Asp->Tyr" full_name="Asp->Tyr substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:58:23" - date_time_modified="2006-11-09 10:58:23" - approved="0" - record_id="557"> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="48.036386" avge_mass="48.0859" composition="H(4) C(5) O(-1)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Asp->Glu" full_name="Asp->Glu substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:58:44" - date_time_modified="2006-11-09 10:58:44" - approved="0" - record_id="558"> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="14.015650" avge_mass="14.0266" composition="H(2) C"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Asp->Val" full_name="Asp->Val substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 10:59:02" - date_time_modified="2006-11-09 10:59:02" - approved="0" - record_id="559"> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-15.958529" avge_mass="-15.9563" composition="H(4) C O(-2)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Glu->Ala" full_name="Glu->Ala substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:00:54" - date_time_modified="2006-11-09 11:00:54" - approved="0" - record_id="560"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-58.005479" avge_mass="-58.0361" composition="H(-2) C(-2) O(-2)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Glu->Gln" full_name="Glu->Gln substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:01:29" - date_time_modified="2006-11-09 11:01:29" - approved="0" - record_id="561"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-0.984016" avge_mass="-0.9848" composition="H N O(-1)"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Glu->Asp" full_name="Glu->Asp substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:01:53" - date_time_modified="2006-11-09 11:01:53" - approved="0" - record_id="562"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-14.015650" avge_mass="-14.0266" composition="H(-2) C(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Glu->Lys" full_name="Glu->Lys substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:02:15" - date_time_modified="2006-11-09 11:02:15" - approved="0" - record_id="563"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-0.947630" avge_mass="-0.9417" composition="H(5) C N O(-2)"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="-2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Glu->Gly" full_name="Glu->Gly substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:02:36" - date_time_modified="2006-11-09 11:02:36" - approved="0" - record_id="564"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-72.021129" avge_mass="-72.0627" composition="H(-4) C(-3) O(-2)"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="-3"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Glu->Val" full_name="Glu->Val substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:03:02" - date_time_modified="2006-11-09 11:03:02" - approved="0" - record_id="565"> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-29.974179" avge_mass="-29.9829" composition="H(2) O(-2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Phe->Ser" full_name="Phe->Ser substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:03:29" - date_time_modified="2006-11-09 11:03:29" - approved="0" - record_id="566"> - <umod:specificity hidden="1" site="F" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-60.036386" avge_mass="-60.0966" composition="H(-4) C(-6) O"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="-6"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Phe->Cys" full_name="Phe->Cys substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:04:01" - date_time_modified="2006-11-09 11:04:01" - approved="0" - record_id="567"> - <umod:specificity hidden="1" site="F" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-44.059229" avge_mass="-44.0310" composition="H(-4) C(-6) S"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="-6"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Phe->Ile" full_name="Phe->Ile or Phe->Leu substitution" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:05:41" - date_time_modified="2006-11-09 11:05:41" - approved="0" - record_id="568"> - <umod:specificity hidden="1" site="F" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-33.984350" avge_mass="-34.0162" composition="H(2) C(-3)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="-3"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Phe->Tyr" full_name="Phe->Tyr substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:06:56" - date_time_modified="2006-11-09 11:06:56" - approved="0" - record_id="569"> - <umod:specificity hidden="1" site="F" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="15.994915" avge_mass="15.9994" composition="O"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Phe->Val" full_name="Phe->Val substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:07:20" - date_time_modified="2006-11-09 11:07:20" - approved="0" - record_id="570"> - <umod:specificity hidden="1" site="F" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-48.000000" avge_mass="-48.0428" composition="C(-4)"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="-4"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Gly->Ala" full_name="Gly->Ala substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:07:51" - date_time_modified="2006-11-09 11:07:51" - approved="0" - record_id="571"> - <umod:specificity hidden="1" site="G" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="14.015650" avge_mass="14.0266" composition="H(2) C"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Gly->Ser" full_name="Gly->Ser substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:08:13" - date_time_modified="2006-11-09 11:08:13" - approved="0" - record_id="572"> - <umod:specificity hidden="1" site="G" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="30.010565" avge_mass="30.0260" composition="H(2) C O"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Gly->Trp" full_name="Gly->Trp substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:08:33" - date_time_modified="2006-11-09 11:08:33" - approved="0" - record_id="573"> - <umod:specificity hidden="1" site="G" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="129.057849" avge_mass="129.1586" composition="H(7) C(9) N"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Gly->Glu" full_name="Gly->Glu substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:08:57" - date_time_modified="2006-11-09 11:08:57" - approved="0" - record_id="574"> - <umod:specificity hidden="1" site="G" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="72.021129" avge_mass="72.0627" composition="H(4) C(3) O(2)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Gly->Val" full_name="Gly->Val substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:09:18" - date_time_modified="2006-11-09 11:09:18" - approved="0" - record_id="575"> - <umod:specificity hidden="1" site="G" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="42.046950" avge_mass="42.0797" composition="H(6) C(3)"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Gly->Asp" full_name="Gly->Asp substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:09:44" - date_time_modified="2006-11-09 11:09:44" - approved="0" - record_id="576"> - <umod:specificity hidden="1" site="G" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="58.005479" avge_mass="58.0361" composition="H(2) C(2) O(2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Gly->Cys" full_name="Gly->Cys substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:10:03" - date_time_modified="2006-11-09 11:10:03" - approved="0" - record_id="577"> - <umod:specificity hidden="1" site="G" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="45.987721" avge_mass="46.0916" composition="H(2) C S"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Gly->Arg" full_name="Gly->Arg substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:10:23" - date_time_modified="2006-11-09 11:10:23" - approved="0" - record_id="578"> - <umod:specificity hidden="1" site="G" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="99.079647" avge_mass="99.1344" composition="H(9) C(4) N(3)"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="dNIC" full_name="deuterated Nicotinic Acid" - username_of_poster="verena-meyer" - group_of_poster="" - date_time_posted="2006-12-04 16:12:54" - date_time_modified="2006-12-09 17:32:46" - approved="0" - record_id="698"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="109.048119" avge_mass="109.1205" composition="H 2H(3) C(6) N O"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="2H" number="3"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Nature Biotechnology 22, 450 - 454 (2004)</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://www.nature.com/nbt/journal/v22/n4/abs/nbt947.html</umod:url> - </umod:xref> - <umod:xref> - <umod:text>15004565</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="His->Pro" full_name="His->Pro substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:11:29" - date_time_modified="2006-11-09 11:11:29" - approved="0" - record_id="580"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-40.006148" avge_mass="-40.0241" composition="C(-1) N(-2)"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="-2"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="His->Tyr" full_name="His->Tyr substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:11:50" - date_time_modified="2006-11-09 11:11:50" - approved="0" - record_id="581"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="26.004417" avge_mass="26.0340" composition="H(2) C(3) N(-2) O"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="-2"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="His->Gln" full_name="His->Gln substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:14:42" - date_time_modified="2006-11-09 11:14:42" - approved="0" - record_id="582"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-9.000334" avge_mass="-9.0101" composition="H C(-1) N(-1) O"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="NIC" full_name="Nicotinic Acid" username_of_poster="verena-meyer" - group_of_poster="" - date_time_posted="2006-12-04 16:04:56" - date_time_modified="2006-12-09 17:31:30" - approved="0" - record_id="697"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="105.021464" avge_mass="105.0941" composition="H(3) C(6) N O"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Nature Biotechnology 22, 450 - 454 (2004)</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://www.nature.com/nbt/journal/v22/n4/abs/nbt947.html</umod:url> - </umod:xref> - <umod:xref> - <umod:text>15004565</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="His->Arg" full_name="His->Arg substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:15:26" - date_time_modified="2006-11-09 11:15:26" - approved="0" - record_id="584"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="19.042199" avge_mass="19.0464" composition="H(5) N"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="His->Leu" full_name="His->Leu substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:15:51" - date_time_modified="2006-11-09 11:15:51" - approved="0" - record_id="585"> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-23.974848" avge_mass="-23.9816" composition="H(4) N(-2)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="-2"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ile->Phe" full_name="Ile->Phe substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:17:16" - date_time_modified="2006-11-09 11:17:16" - approved="0" - record_id="586"> - <umod:specificity hidden="1" site="I" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="33.984350" avge_mass="34.0162" composition="H(-2) C(3)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ile->Ser" full_name="Ile->Ser substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:17:49" - date_time_modified="2006-11-09 11:17:49" - approved="0" - record_id="587"> - <umod:specificity hidden="1" site="I" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-26.052036" avge_mass="-26.0803" composition="H(-6) C(-3) O"> - <umod:element symbol="H" number="-6"/> - <umod:element symbol="C" number="-3"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ile->Thr" full_name="Ile->Thr substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:18:09" - date_time_modified="2006-11-09 11:18:09" - approved="0" - record_id="588"> - <umod:specificity hidden="1" site="I" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-12.036386" avge_mass="-12.0538" composition="H(-4) C(-2) O"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ile->Asn" full_name="Ile->Asn substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:18:31" - date_time_modified="2006-11-09 11:18:31" - approved="0" - record_id="589"> - <umod:specificity hidden="1" site="I" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="0.958863" avge_mass="0.9450" composition="H(-5) C(-2) N O"> - <umod:element symbol="H" number="-5"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ile->Lys" full_name="Ile->Lys substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:18:57" - date_time_modified="2006-11-09 11:18:57" - approved="0" - record_id="590"> - <umod:specificity hidden="1" site="I" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="15.010899" avge_mass="15.0146" composition="H N"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ile->Val" full_name="Ile->Val substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:19:17" - date_time_modified="2006-11-09 11:19:17" - approved="0" - record_id="591"> - <umod:specificity hidden="1" site="I" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-14.015650" avge_mass="-14.0266" composition="H(-2) C(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ile->Met" full_name="Ile->Met substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:19:40" - date_time_modified="2006-11-09 11:19:40" - approved="0" - record_id="592"> - <umod:specificity hidden="1" site="I" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="17.956421" avge_mass="18.0384" composition="H(-2) C(-1) S"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ile->Arg" full_name="Ile->Arg substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:20:00" - date_time_modified="2006-11-09 11:20:00" - approved="0" - record_id="593"> - <umod:specificity hidden="1" site="I" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="43.017047" avge_mass="43.0280" composition="H N(3)"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Lys->Thr" full_name="Lys->Thr substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:20:28" - date_time_modified="2006-11-09 11:20:28" - approved="0" - record_id="594"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-27.047285" avge_mass="-27.0684" composition="H(-5) C(-2) N(-1) O"> - <umod:element symbol="H" number="-5"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Lys->Asn" full_name="Lys->Asn substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:20:51" - date_time_modified="2006-11-09 11:20:51" - approved="0" - record_id="595"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-14.052036" avge_mass="-14.0696" composition="H(-6) C(-2) O"> - <umod:element symbol="H" number="-6"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Lys->Glu" full_name="Lys->Glu substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:21:12" - date_time_modified="2006-11-09 11:21:12" - approved="0" - record_id="596"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="0.947630" avge_mass="0.9417" composition="H(-5) C(-1) N(-1) O(2)"> - <umod:element symbol="H" number="-5"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Lys->Gln" full_name="Lys->Gln substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:21:32" - date_time_modified="2006-11-09 11:21:32" - approved="0" - record_id="597"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-0.036386" avge_mass="-0.0431" composition="H(-4) C(-1) O"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Lys->Met" full_name="Lys->Met substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:21:56" - date_time_modified="2006-11-09 11:21:56" - approved="0" - record_id="598"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="2.945522" avge_mass="3.0238" composition="H(-3) C(-1) N(-1) S"> - <umod:element symbol="H" number="-3"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Lys->Arg" full_name="Lys->Arg substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:22:15" - date_time_modified="2006-11-09 11:22:15" - approved="0" - record_id="599"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="28.006148" avge_mass="28.0134" composition="N(2)"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Lys->Ile" full_name="Lys->Ile substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:22:38" - date_time_modified="2006-11-09 11:22:38" - approved="0" - record_id="600"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-15.010899" avge_mass="-15.0146" composition="H(-1) N(-1)"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Leu->Ser" full_name="Leu->Ser substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:23:01" - date_time_modified="2006-11-09 11:23:01" - approved="0" - record_id="601"> - <umod:specificity hidden="1" site="L" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-26.052036" avge_mass="-26.0803" composition="H(-6) C(-3) O"> - <umod:element symbol="H" number="-6"/> - <umod:element symbol="C" number="-3"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Leu->Phe" full_name="Leu->Phe substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:23:22" - date_time_modified="2006-11-09 11:23:22" - approved="0" - record_id="602"> - <umod:specificity hidden="1" site="L" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="33.984350" avge_mass="34.0162" composition="H(-2) C(3)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Leu->Trp" full_name="Leu->Trp substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:23:48" - date_time_modified="2006-11-09 11:23:48" - approved="0" - record_id="603"> - <umod:specificity hidden="1" site="L" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="72.995249" avge_mass="73.0523" composition="H(-1) C(5) N"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Leu->Pro" full_name="Leu->Pro substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:24:06" - date_time_modified="2006-11-09 11:24:06" - approved="0" - record_id="604"> - <umod:specificity hidden="1" site="L" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-16.031300" avge_mass="-16.0425" composition="H(-4) C(-1)"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Leu->Val" full_name="Leu->Val substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:24:28" - date_time_modified="2006-11-09 11:24:28" - approved="0" - record_id="605"> - <umod:specificity hidden="1" site="L" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-14.015650" avge_mass="-14.0266" composition="H(-2) C(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Leu->His" full_name="Leu->His substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:24:50" - date_time_modified="2006-11-09 11:24:50" - approved="0" - record_id="606"> - <umod:specificity hidden="1" site="L" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="23.974848" avge_mass="23.9816" composition="H(-4) N(2)"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Leu->Gln" full_name="Leu->Gln substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:25:14" - date_time_modified="2006-11-09 11:25:14" - approved="0" - record_id="607"> - <umod:specificity hidden="1" site="L" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="14.974514" avge_mass="14.9716" composition="H(-3) C(-1) N O"> - <umod:element symbol="H" number="-3"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Leu->Met" full_name="Leu->Met substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:25:59" - date_time_modified="2006-11-09 11:25:59" - approved="0" - record_id="608"> - <umod:specificity hidden="1" site="L" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="17.956421" avge_mass="18.0384" composition="H(-2) C(-1) S"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Leu->Arg" full_name="Leu->Arg substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:26:21" - date_time_modified="2006-11-09 11:26:21" - approved="0" - record_id="609"> - <umod:specificity hidden="1" site="L" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="43.017047" avge_mass="43.0280" composition="H N(3)"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Met->Thr" full_name="Met->Thr substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:26:47" - date_time_modified="2006-11-09 11:26:47" - approved="0" - record_id="610"> - <umod:specificity hidden="1" site="M" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-29.992806" avge_mass="-30.0922" composition="H(-2) C(-1) O S(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Met->Arg" full_name="Met->Arg substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:27:10" - date_time_modified="2006-11-09 11:27:10" - approved="0" - record_id="611"> - <umod:specificity hidden="1" site="M" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="25.060626" avge_mass="24.9896" composition="H(3) C N(3) S(-1)"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Met->Ile" full_name="Met->Ile substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:27:27" - date_time_modified="2006-11-09 11:27:48" - approved="0" - record_id="612"> - <umod:specificity hidden="1" site="M" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-17.956421" avge_mass="-18.0384" composition="H(2) C S(-1)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Met->Lys" full_name="Met->Lys substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:28:29" - date_time_modified="2006-11-09 11:28:29" - approved="0" - record_id="613"> - <umod:specificity hidden="1" site="M" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-2.945522" avge_mass="-3.0238" composition="H(3) C N S(-1)"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Met->Leu" full_name="Met->Leu substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:28:56" - date_time_modified="2006-11-09 11:28:56" - approved="0" - record_id="614"> - <umod:specificity hidden="1" site="M" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-17.956421" avge_mass="-18.0384" composition="H(2) C S(-1)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Met->Val" full_name="Met->Val substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:29:27" - date_time_modified="2006-11-09 11:29:27" - approved="0" - record_id="615"> - <umod:specificity hidden="1" site="M" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-31.972071" avge_mass="-32.0650" composition="S(-1)"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Asn->Ser" full_name="Asn->Ser substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:29:57" - date_time_modified="2006-11-09 11:29:57" - approved="0" - record_id="616"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-27.010899" avge_mass="-27.0253" composition="H(-1) C(-1) N(-1)"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Asn->Thr" full_name="Asn->Thr substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:34:11" - date_time_modified="2006-11-09 11:34:11" - approved="0" - record_id="617"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-12.995249" avge_mass="-12.9988" composition="H N(-1)"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Asn->Lys" full_name="Asn->Lys substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:34:31" - date_time_modified="2006-11-09 11:34:31" - approved="0" - record_id="618"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="14.052036" avge_mass="14.0696" composition="H(6) C(2) O(-1)"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Asn->Tyr" full_name="Asn->Tyr substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:34:56" - date_time_modified="2006-11-09 11:34:56" - approved="0" - record_id="619"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="49.020401" avge_mass="49.0706" composition="H(3) C(5) N(-1)"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Asn->His" full_name="Asn->His substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:35:18" - date_time_modified="2006-11-09 11:35:18" - approved="0" - record_id="620"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="23.015984" avge_mass="23.0366" composition="H C(2) N O(-1)"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Asn->Asp" full_name="Asn->Asp substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:35:42" - date_time_modified="2006-11-09 11:35:42" - approved="0" - record_id="621"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="0.984016" avge_mass="0.9848" composition="H(-1) N(-1) O"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Asn->Ile" full_name="Asn->Ile substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:36:02" - date_time_modified="2006-11-09 11:36:02" - approved="0" - record_id="622"> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-0.958863" avge_mass="-0.9450" composition="H(5) C(2) N(-1) O(-1)"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Pro->Ser" full_name="Pro->Ser substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:36:26" - date_time_modified="2006-11-09 11:36:26" - approved="0" - record_id="623"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-10.020735" avge_mass="-10.0379" composition="H(-2) C(-2) O"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Pro->Ala" full_name="Pro->Ala substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:37:56" - date_time_modified="2006-11-09 11:37:56" - approved="0" - record_id="624"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-26.015650" avge_mass="-26.0373" composition="H(-2) C(-2)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Pro->His" full_name="Pro->His substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:38:18" - date_time_modified="2006-11-09 11:38:18" - approved="0" - record_id="625"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="40.006148" avge_mass="40.0241" composition="C N(2)"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Pro->Gln" full_name="Pro->Gln substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:38:40" - date_time_modified="2006-11-09 11:38:40" - approved="0" - record_id="626"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="31.005814" avge_mass="31.0140" composition="H N O"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Pro->Thr" full_name="Pro->Thr substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:39:02" - date_time_modified="2006-11-09 11:39:02" - approved="0" - record_id="627"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="3.994915" avge_mass="3.9887" composition="C(-1) O"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Pro->Arg" full_name="Pro->Arg substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:39:29" - date_time_modified="2006-11-09 11:39:29" - approved="0" - record_id="628"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="59.048347" avge_mass="59.0705" composition="H(5) C N(3)"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Pro->Leu" full_name="Pro->Leu substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:39:47" - date_time_modified="2006-11-09 11:39:47" - approved="0" - record_id="629"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="16.031300" avge_mass="16.0425" composition="H(4) C"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Gln->Pro" full_name="Gln->Pro substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:40:19" - date_time_modified="2006-11-09 11:40:19" - approved="0" - record_id="630"> - <umod:specificity hidden="1" site="Q" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-31.005814" avge_mass="-31.0140" composition="H(-1) N(-1) O(-1)"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Gln->Lys" full_name="Gln->Lys substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:42:17" - date_time_modified="2006-11-09 11:42:17" - approved="0" - record_id="631"> - <umod:specificity hidden="1" site="Q" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="0.036386" avge_mass="0.0431" composition="H(4) C O(-1)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Gln->Glu" full_name="Gln->Glu substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:42:38" - date_time_modified="2006-11-09 11:42:38" - approved="0" - record_id="632"> - <umod:specificity hidden="1" site="Q" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="0.984016" avge_mass="0.9848" composition="H(-1) N(-1) O"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Gln->His" full_name="Gln->His substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:42:58" - date_time_modified="2006-11-09 11:42:58" - approved="0" - record_id="633"> - <umod:specificity hidden="1" site="Q" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="9.000334" avge_mass="9.0101" composition="H(-1) C N O(-1)"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Gln->Arg" full_name="Gln->Arg substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:43:25" - date_time_modified="2006-11-09 11:43:25" - approved="0" - record_id="634"> - <umod:specificity hidden="1" site="Q" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="28.042534" avge_mass="28.0565" composition="H(4) C N(2) O(-1)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Gln->Leu" full_name="Gln->Leu substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:43:47" - date_time_modified="2006-11-09 11:43:47" - approved="0" - record_id="635"> - <umod:specificity hidden="1" site="Q" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-14.974514" avge_mass="-14.9716" composition="H(3) C N(-1) O(-1)"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Arg->Ser" full_name="Arg->Ser substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:44:13" - date_time_modified="2006-11-09 11:44:13" - approved="0" - record_id="636"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-69.069083" avge_mass="-69.1084" composition="H(-7) C(-3) N(-3) O"> - <umod:element symbol="H" number="-7"/> - <umod:element symbol="C" number="-3"/> - <umod:element symbol="N" number="-3"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Arg->Trp" full_name="Arg->Trp substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:44:36" - date_time_modified="2006-11-09 11:44:36" - approved="0" - record_id="637"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="29.978202" avge_mass="30.0242" composition="H(-2) C(5) N(-2)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="-2"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Arg->Thr" full_name="Arg->Thr substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:44:59" - date_time_modified="2006-11-09 11:44:59" - approved="0" - record_id="638"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-55.053433" avge_mass="-55.0818" composition="H(-5) C(-2) N(-3) O"> - <umod:element symbol="H" number="-5"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="N" number="-3"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Arg->Pro" full_name="Arg->Pro substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:45:18" - date_time_modified="2006-11-09 11:45:18" - approved="0" - record_id="639"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-59.048347" avge_mass="-59.0705" composition="H(-5) C(-1) N(-3)"> - <umod:element symbol="H" number="-5"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="-3"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Arg->Lys" full_name="Arg->Lys substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:45:37" - date_time_modified="2006-11-09 11:45:37" - approved="0" - record_id="640"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-28.006148" avge_mass="-28.0134" composition="N(-2)"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="-2"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Arg->His" full_name="Arg->His substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:45:56" - date_time_modified="2006-11-09 11:45:56" - approved="0" - record_id="641"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-19.042199" avge_mass="-19.0464" composition="H(-5) N(-1)"> - <umod:element symbol="H" number="-5"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Arg->Gln" full_name="Arg->Gln substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:46:17" - date_time_modified="2006-11-09 11:46:17" - approved="0" - record_id="642"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-28.042534" avge_mass="-28.0565" composition="H(-4) C(-1) N(-2) O"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="-2"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Arg->Met" full_name="Arg->Met substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:46:37" - date_time_modified="2006-11-09 11:46:37" - approved="0" - record_id="643"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-25.060626" avge_mass="-24.9896" composition="H(-3) C(-1) N(-3) S"> - <umod:element symbol="H" number="-3"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="-3"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Arg->Cys" full_name="Arg->Cys substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:47:00" - date_time_modified="2006-11-09 11:47:00" - approved="0" - record_id="644"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-53.091927" avge_mass="-53.0428" composition="H(-7) C(-3) N(-3) S"> - <umod:element symbol="H" number="-7"/> - <umod:element symbol="C" number="-3"/> - <umod:element symbol="N" number="-3"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Arg->Ile" full_name="Arg->Ile or Arg->Leu substitution" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:47:36" - date_time_modified="2006-11-09 11:47:36" - approved="0" - record_id="645"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-43.017047" avge_mass="-43.0280" composition="H(-1) N(-3)"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="-3"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Arg->Gly" full_name="Arg->Gly substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 11:48:00" - date_time_modified="2006-11-09 11:48:00" - approved="0" - record_id="646"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-99.079647" avge_mass="-99.1344" composition="H(-9) C(-4) N(-3)"> - <umod:element symbol="H" number="-9"/> - <umod:element symbol="C" number="-4"/> - <umod:element symbol="N" number="-3"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ser->Phe" full_name="Ser->Phe substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:32:55" - date_time_modified="2006-11-09 12:32:55" - approved="0" - record_id="647"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="60.036386" avge_mass="60.0966" composition="H(4) C(6) O(-1)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ser->Ala" full_name="Ser->Ala substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:33:14" - date_time_modified="2006-11-09 12:33:14" - approved="0" - record_id="648"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-15.994915" avge_mass="-15.9994" composition="O(-1)"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ser->Trp" full_name="Ser->Trp substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:33:32" - date_time_modified="2006-11-09 12:33:32" - approved="0" - record_id="649"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="99.047285" avge_mass="99.1326" composition="H(5) C(8) N O(-1)"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="8"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ser->Thr" full_name="Ser->Thr substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:33:51" - date_time_modified="2006-11-09 12:33:51" - approved="0" - record_id="650"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="14.015650" avge_mass="14.0266" composition="H(2) C"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ser->Asn" full_name="Ser->Asn substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:34:12" - date_time_modified="2006-11-09 12:34:12" - approved="0" - record_id="651"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="27.010899" avge_mass="27.0253" composition="H C N"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ser->Pro" full_name="Ser->Pro substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:34:34" - date_time_modified="2006-11-09 12:34:34" - approved="0" - record_id="652"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="10.020735" avge_mass="10.0379" composition="H(2) C(2) O(-1)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ser->Tyr" full_name="Ser->Tyr substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:35:00" - date_time_modified="2006-11-09 12:35:00" - approved="0" - record_id="653"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="76.031300" avge_mass="76.0960" composition="H(4) C(6)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ser->Cys" full_name="Ser->Cys substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:35:22" - date_time_modified="2006-11-09 12:35:22" - approved="0" - record_id="654"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="15.977156" avge_mass="16.0656" composition="O(-1) S"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ser->Arg" full_name="Ser->Arg substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:35:40" - date_time_modified="2006-11-09 12:35:40" - approved="0" - record_id="655"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="69.069083" avge_mass="69.1084" composition="H(7) C(3) N(3) O(-1)"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ser->Ile" full_name="Ser->Ile or Ser->Leu substitution" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:36:10" - date_time_modified="2006-11-09 12:36:10" - approved="0" - record_id="656"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="26.052036" avge_mass="26.0803" composition="H(6) C(3) O(-1)"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Ser->Gly" full_name="Ser->Gly substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:36:34" - date_time_modified="2006-11-09 12:36:34" - approved="0" - record_id="657"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-30.010565" avge_mass="-30.0260" composition="H(-2) C(-1) O(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Thr->Ser" full_name="Thr->Ser substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:36:57" - date_time_modified="2006-11-09 12:36:57" - approved="0" - record_id="658"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-14.015650" avge_mass="-14.0266" composition="H(-2) C(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Thr->Ala" full_name="Thr->Ala substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:37:15" - date_time_modified="2006-11-09 12:37:15" - approved="0" - record_id="659"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-30.010565" avge_mass="-30.0260" composition="H(-2) C(-1) O(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Thr->Asn" full_name="Thr->Asn substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:37:37" - date_time_modified="2006-11-09 12:37:37" - approved="0" - record_id="660"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="12.995249" avge_mass="12.9988" composition="H(-1) N"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Thr->Lys" full_name="Thr->Lys substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:37:55" - date_time_modified="2006-11-09 12:37:55" - approved="0" - record_id="661"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="27.047285" avge_mass="27.0684" composition="H(5) C(2) N O(-1)"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Thr->Pro" full_name="Thr->Pro substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:38:14" - date_time_modified="2006-11-09 12:38:14" - approved="0" - record_id="662"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-3.994915" avge_mass="-3.9887" composition="C O(-1)"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Thr->Met" full_name="Thr->Met substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:38:34" - date_time_modified="2006-11-09 12:38:34" - approved="0" - record_id="663"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="29.992806" avge_mass="30.0922" composition="H(2) C O(-1) S"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Thr->Ile" full_name="Thr->Ile substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:38:56" - date_time_modified="2006-11-09 12:38:56" - approved="0" - record_id="664"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="12.036386" avge_mass="12.0538" composition="H(4) C(2) O(-1)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Thr->Arg" full_name="Thr->Arg substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:39:14" - date_time_modified="2006-11-09 12:39:14" - approved="0" - record_id="665"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="55.053433" avge_mass="55.0818" composition="H(5) C(2) N(3) O(-1)"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Val->Phe" full_name="Val->Phe substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:39:35" - date_time_modified="2006-11-09 12:39:35" - approved="0" - record_id="666"> - <umod:specificity hidden="1" site="V" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="48.000000" avge_mass="48.0428" composition="C(4)"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Val->Ala" full_name="Val->Ala substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:40:00" - date_time_modified="2006-11-09 12:40:00" - approved="0" - record_id="667"> - <umod:specificity hidden="1" site="V" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-28.031300" avge_mass="-28.0532" composition="H(-4) C(-2)"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Val->Glu" full_name="Val->Glu substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:40:19" - date_time_modified="2006-11-09 12:40:19" - approved="0" - record_id="668"> - <umod:specificity hidden="1" site="V" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="29.974179" avge_mass="29.9829" composition="H(-2) O(2)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Val->Met" full_name="Val->Met substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:40:36" - date_time_modified="2006-11-09 12:40:36" - approved="0" - record_id="669"> - <umod:specificity hidden="1" site="V" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="31.972071" avge_mass="32.0650" composition="S"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Val->Asp" full_name="Val->Asp substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:41:04" - date_time_modified="2006-11-09 12:41:04" - approved="0" - record_id="670"> - <umod:specificity hidden="1" site="V" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="15.958529" avge_mass="15.9563" composition="H(-4) C(-1) O(2)"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Val->Ile" full_name="Val->Ile or Val->Leu substitution" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:41:27" - date_time_modified="2006-11-24 15:29:33" - approved="0" - record_id="671"> - <umod:specificity hidden="1" site="V" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="14.015650" avge_mass="14.0266" composition="H(2) C"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Val->Gly" full_name="Val->Gly substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:41:45" - date_time_modified="2006-11-09 12:41:45" - approved="0" - record_id="672"> - <umod:specificity hidden="1" site="V" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-42.046950" avge_mass="-42.0797" composition="H(-6) C(-3)"> - <umod:element symbol="H" number="-6"/> - <umod:element symbol="C" number="-3"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Trp->Ser" full_name="Trp->Ser substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:42:22" - date_time_modified="2006-11-09 12:42:22" - approved="0" - record_id="673"> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-99.047285" avge_mass="-99.1326" composition="H(-5) C(-8) N(-1) O"> - <umod:element symbol="H" number="-5"/> - <umod:element symbol="C" number="-8"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Trp->Cys" full_name="Trp->Cys substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:42:46" - date_time_modified="2006-11-09 12:42:46" - approved="0" - record_id="674"> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-83.070128" avge_mass="-83.0670" composition="H(-5) C(-8) N(-1) S"> - <umod:element symbol="H" number="-5"/> - <umod:element symbol="C" number="-8"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="Trp->Arg" full_name="Trp->Arg substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:43:10" - date_time_modified="2006-11-09 12:43:10" - approved="0" - record_id="675"> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-29.978202" avge_mass="-30.0242" composition="H(2) C(-5) N(2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="-5"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Trp->Gly" full_name="Trp->Gly substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:43:29" - date_time_modified="2006-11-09 12:43:29" - approved="0" - record_id="676"> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-129.057849" avge_mass="-129.1586" composition="H(-7) C(-9) N(-1)"> - <umod:element symbol="H" number="-7"/> - <umod:element symbol="C" number="-9"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Trp->Leu" full_name="Trp->Leu substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:43:49" - date_time_modified="2006-11-09 12:43:49" - approved="0" - record_id="677"> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-72.995249" avge_mass="-73.0523" composition="H C(-5) N(-1)"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="-5"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Tyr->Phe" full_name="Tyr->Phe substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:44:13" - date_time_modified="2006-11-09 12:44:13" - approved="0" - record_id="678"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-15.994915" avge_mass="-15.9994" composition="O(-1)"> - <umod:element symbol="H" number="0"/> - <umod:element symbol="C" number="0"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Tyr->Ser" full_name="Tyr->Ser substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:44:37" - date_time_modified="2006-11-09 12:44:37" - approved="0" - record_id="679"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-76.031300" avge_mass="-76.0960" composition="H(-4) C(-6)"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="-6"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Tyr->Asn" full_name="Tyr->Asn substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:44:59" - date_time_modified="2006-11-09 12:44:59" - approved="0" - record_id="680"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-49.020401" avge_mass="-49.0706" composition="H(-3) C(-5) N"> - <umod:element symbol="H" number="-3"/> - <umod:element symbol="C" number="-5"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="0"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Tyr->His" full_name="Tyr->His substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:45:22" - date_time_modified="2006-11-09 12:45:22" - approved="0" - record_id="681"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-26.004417" avge_mass="-26.0340" - composition="H(-2) C(-3) N(2) O(-1)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-3"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Tyr->Asp" full_name="Tyr->Asp substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:45:44" - date_time_modified="2006-11-09 12:45:44" - approved="0" - record_id="682"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-48.036386" avge_mass="-48.0859" composition="H(-4) C(-5) O"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="-5"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="0"/> - </umod:delta> - </umod:mod> - <umod:mod title="Tyr->Cys" full_name="Tyr->Cys substitution" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-09 12:46:03" - date_time_modified="2006-11-09 12:46:03" - approved="0" - record_id="683"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="AA substitution" - spec_group="1"/> - <umod:delta mono_mass="-60.054144" avge_mass="-60.0304" composition="H(-4) C(-6) O(-1) S"> - <umod:element symbol="H" number="-4"/> - <umod:element symbol="C" number="-6"/> - <umod:element symbol="N" number="0"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="BDMAPP" full_name="Mass Defect Tag on lysine e-amino" - username_of_poster="LVSchneid" - group_of_poster="" - date_time_posted="2006-11-13 18:51:11" - date_time_modified="2006-11-13 18:52:47" - approved="0" - record_id="684"> - <umod:specificity hidden="1" site="W" position="Anywhere" classification="Artefact" - spec_group="5"> - <umod:misc_notes>Low efficiency</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Artefact" - spec_group="4"> - <umod:misc_notes>Low efficiency</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="N-term" position="Protein N-term" - classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Artefact" - spec_group="1"> - <umod:misc_notes>Low efficiency</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="253.010225" avge_mass="254.1231" composition="H(12) C(11) N O Br"> - <umod:element symbol="H" number="12"/> - <umod:element symbol="C" number="11"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="Br" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Isotope-differentiated binding energy shift tags</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.targetdiscovery.com/article.php?topic=crpc.prst&story=20060321132643690</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="NA-LNO2" full_name="Nitroalkylation by Nitro Linoleic Acid" - username_of_poster="cbatthya" - group_of_poster="" - date_time_posted="2006-11-13 18:59:35" - date_time_modified="2006-11-13 18:59:35" - approved="0" - record_id="685"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:delta mono_mass="325.225309" avge_mass="325.4430" composition="H(31) C(18) N O(4)"> - <umod:element symbol="H" number="31"/> - <umod:element symbol="C" number="18"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="4"/> - </umod:delta> - <umod:alt_name>Michael addition of nitro-linoleic acid to Cys and His</umod:alt_name> - <umod:xref> - <umod:text>JBC 281(29):20450-63; 2006</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Reversible post-translational modification of proteins by nitrated fatty acids</umod:misc_notes> - </umod:mod> - <umod:mod title="NA-OA-NO2" full_name="Nitroalkylation by Nitro Oleic Acid" - username_of_poster="cbatthya" - group_of_poster="" - date_time_posted="2006-11-13 19:01:33" - date_time_modified="2006-11-13 19:01:33" - approved="0" - record_id="686"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Post-translational" - spec_group="2"/> - <umod:delta mono_mass="327.240959" avge_mass="327.4589" composition="H(33) C(18) N O(4)"> - <umod:element symbol="H" number="33"/> - <umod:element symbol="C" number="18"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="4"/> - </umod:delta> - <umod:alt_name>Michael addition of nitro-oleic acid to Cys and His</umod:alt_name> - <umod:xref> - <umod:text>JBC 281(29):20450-63; 2006</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Reversible post-translational modification of proteins by nitrated fatty acids</umod:misc_notes> - </umod:mod> - <umod:mod title="ICPL:2H(4)" - full_name="Bruker Daltonics SERVA-ICPL(TM) quantification chemistry, medium form" - username_of_poster="suckau" - group_of_poster="" - date_time_posted="2006-11-13 19:05:12" - date_time_modified="2008-09-03 15:26:54" - approved="0" - record_id="687"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>Use when labelling post-digest</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="N-term" position="Protein N-term" - classification="Isotopic label" - spec_group="2"> - <umod:misc_notes>Use when labelling pre-digest</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="109.046571" avge_mass="109.1188" composition="H(-1) 2H(4) C(6) N O"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="2H" number="4"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Bruker Daltonics order reference</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.bdal.de/life-science-tools/care-consumables-more/icpl-kit.html</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Schmidt A, Kellermann J, Lottspeich F (2005): A novel strategy for quantitative proteomics using isotope-coded protein labels. Proteomics 5: 4-15</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15602776</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Attention: As the digest is typically applied AFTER ICPL_light/heavy labeling, only ProteinN-term labeling and Lys-specific labeling is applied.</umod:misc_notes> - </umod:mod> - <umod:mod title="iTRAQ8plex" - full_name="Representative mass and accurate mass for 113, 114, 116 & 117" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2007-01-11 09:53:13" - date_time_modified="2007-01-13 21:00:08" - approved="0" - record_id="730"> - <umod:specificity hidden="0" site="Y" position="Anywhere" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>Low abundance</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="0" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="304.205360" avge_mass="304.3074" - composition="H(24) C(7) 13C(7) N(3) 15N O(3)"> - <umod:element symbol="H" number="24"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="13C" number="7"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="15N" number="1"/> - <umod:element symbol="O" number="3"/> - </umod:delta> - <umod:alt_name>AKA iTRAQ8plex:13C(7)15N(1)</umod:alt_name> - <umod:alt_name>Applied Biosystems iTRAQ(TM) multiplexed quantitation chemistry</umod:alt_name> - <umod:misc_notes>Other 4 channels have the same nominal mass but slightly different exact mass. For quantitation purposes, use this entry for all channels</umod:misc_notes> - </umod:mod> - <umod:mod title="Label:13C(6)15N(1)" full_name="13C(6) 15N(1) Silac label" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2006-11-29 15:10:53" - date_time_modified="2007-08-22 18:30:49" - approved="1" - record_id="695"> - <umod:specificity hidden="1" site="I" position="Anywhere" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="L" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="7.017164" avge_mass="6.9493" composition="C(-6) 13C(6) N(-1) 15N"> - <umod:element symbol="C" number="-6"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="15N" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Silac introduction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Ong, S-E, I. Kratchmarova, and M. Mann (2003). J Proteome Research 2: 173-181</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Label:2H(9)13C(6)15N(2)" full_name="13C(6) 15N(2) (D)9 SILAC label" - username_of_poster="striker2000" - group_of_poster="" - date_time_posted="2006-12-01 22:36:25" - date_time_modified="2007-08-22 18:48:35" - approved="0" - record_id="696"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>Used in SILAC experiment</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="17.070690" avge_mass="16.9982" - composition="H(-9) 2H(9) C(-6) 13C(6) N(-2) 15N(2)"> - <umod:element symbol="H" number="-9"/> - <umod:element symbol="2H" number="9"/> - <umod:element symbol="C" number="-6"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="N" number="-2"/> - <umod:element symbol="15N" number="2"/> - </umod:delta> - <umod:alt_name>heavy D9 lysine</umod:alt_name> - <umod:xref> - <umod:text>Silac introduction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>CDNLM-6810</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.isotope.com/cil/products/displayproduct.cfm?prod_id=8635</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="HNE-Delta:H(2)O" full_name="Dehydrated 4-hydroxynonenal" - username_of_poster="stewartb" - group_of_poster="" - date_time_posted="2007-01-08 18:29:46" - date_time_modified="2007-01-21 18:27:18" - approved="0" - record_id="720"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="138.104465" avge_mass="138.2069" composition="H(14) C(9) O"> - <umod:element symbol="H" number="14"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Liu Z, Minkler P, and Sayre L. Chem. Res. Toxicology 2003 16 901-911</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Mass Spectroscopic Characterization of Protein Modification by 4-Hydroxy-2-(E)-nonenal and 4-Oxo-2-(E)-nonenal.</umod:misc_notes> - </umod:mod> - <umod:mod title="4-ONE" full_name="4-Oxononenal (ONE)" username_of_poster="stewartb" - group_of_poster="" - date_time_posted="2007-01-08 19:41:28" - date_time_modified="2007-01-21 18:26:54" - approved="0" - record_id="721"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="154.099380" avge_mass="154.2063" composition="H(14) C(9) O(2)"> - <umod:element symbol="H" number="14"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>Chemico-Biological Interactions 143-144(2003) 93-100.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Covalent adduction of nucleophilic amino acids by 4-hydroxynonenal and 4-oxononenal</umod:misc_notes> - </umod:mod> - <umod:mod title="O-Dimethylphosphate" full_name="O-Dimethylphosphorylation" - username_of_poster="lmschopfer" - group_of_poster="" - date_time_posted="2007-01-09 21:25:28" - date_time_modified="2007-01-13 21:01:15" - approved="0" - record_id="723"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="107.997631" avge_mass="108.0331" composition="H(5) C(2) O(3) P"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Fidder, Hulst, Noort, Ruiter, van der Schans, Benschop and Langenberg; Retrospective detection of exposure to organophosphorus anti-cholinesterases: Mass spectrometric analysis of phosphylated human butyrylcholinestease. Chem. Res. Toxicol. 15, 582-590 (2002)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="O-Methylphosphate" full_name="O-Methylphosphorylation" - username_of_poster="lmschopfer" - group_of_poster="" - date_time_posted="2007-01-09 21:35:38" - date_time_modified="2007-01-21 18:13:01" - approved="0" - record_id="724"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="93.981981" avge_mass="94.0065" composition="H(3) C O(3) P"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Main; Mode of action of anticholnesterases. Pharmac Ther 6, 579-628 (1979)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Created by auto-catalytic dealkylation of the O-Dimethylphosphate adduct.</umod:misc_notes> - </umod:mod> - <umod:mod title="O-Diethylphosphate" full_name="O-Diethylphosphorylation" - username_of_poster="lmschopfer" - group_of_poster="" - date_time_posted="2007-01-09 21:44:04" - date_time_modified="2007-01-13 21:03:17" - approved="0" - record_id="725"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="136.028931" avge_mass="136.0862" composition="H(9) C(4) O(3) P"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Fidder, Hulst, Noort, Ruiter, van der Schans, Benschop and Langenberg; Retrospective detection of exposure to organophosphorus anti-cholinesterases: Mass spectrometric analysis of phosphylated human butyrylcholinestease. Chem. Res. Toxicol. 15, 582-590 (2002)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="O-Ethylphosphate" full_name="O-Ethylphosphorylation" - username_of_poster="lmschopfer" - group_of_poster="" - date_time_posted="2007-01-09 21:46:17" - date_time_modified="2007-01-21 18:12:23" - approved="0" - record_id="726"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="107.997631" avge_mass="108.0331" composition="H(5) C(2) O(3) P"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Main; Mode of action of anticholnesterases. Pharmac Ther 6, 579-628 (1979)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Created by auto-catalytic dealkylation of the O-Diethylphosphate adduct.</umod:misc_notes> - </umod:mod> - <umod:mod title="O-pinacolylmethylphosphonate" - full_name="O-pinacolylmethylphosphonylation" - username_of_poster="lmschopfer" - group_of_poster="" - date_time_posted="2007-01-10 16:04:46" - date_time_modified="2007-01-13 21:06:41" - approved="0" - record_id="727"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="162.080967" avge_mass="162.1666" composition="H(15) C(7) O(2) P"> - <umod:element symbol="H" number="15"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Fidder, Hulst, Noort, Ruiter, van der Schans, Benschop and Langenberg; Retrospective detection of exposure to organophosphorus anti-cholinesterases: Mass spectrometric analysis of phosphylated human butyrylcholinestease. Chem. Res. Toxicol. 15, 582-590 (2002)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Methylphosphonate" full_name="Methylphosphonylation" - username_of_poster="lmschopfer" - group_of_poster="" - date_time_posted="2007-01-10 16:07:37" - date_time_modified="2007-01-21 18:11:36" - approved="0" - record_id="728"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="77.987066" avge_mass="78.0071" composition="H(3) C O(2) P"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="C" number="1"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Main; Mode of action of anticholnesterases. Pharmac Ther 6, 579-628 (1979)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Created by auto-catalytic dealkylation of either the O-pinacolylmethylphosphonate adduct, or the O-isopropylmethylphosphonate adduct.</umod:misc_notes> - </umod:mod> - <umod:mod title="O-Isopropylmethylphosphonate" - full_name="O-Isopropylmethylphosphonylation" - username_of_poster="lmschopfer" - group_of_poster="" - date_time_posted="2007-01-10 16:10:55" - date_time_modified="2007-01-13 21:02:02" - approved="0" - record_id="729"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="120.034017" avge_mass="120.0868" composition="H(9) C(4) O(2) P"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Fidder, Hulst, Noort, Ruiter, van der Schans, Benschop and Langenberg; Retrospective detection of exposure to organophosphorus anti-cholinesterases: Mass spectrometric analysis of phosphylated human butyrylcholinestease. Chem. Res. Toxicol. 15, 582-590 (2002)</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="iTRAQ8plex:13C(6)15N(2)" - full_name="Accurate mass for 115, 118, 119 & 121" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2007-01-11 09:56:21" - date_time_modified="2007-01-13 20:59:54" - approved="0" - record_id="731"> - <umod:specificity hidden="1" site="Y" position="Anywhere" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>Low abundance</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="304.199040" avge_mass="304.3081" - composition="H(24) C(8) 13C(6) N(2) 15N(2) O(3)"> - <umod:element symbol="H" number="24"/> - <umod:element symbol="C" number="8"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="15N" number="2"/> - <umod:element symbol="O" number="3"/> - </umod:delta> - <umod:alt_name>Applied Biosystems iTRAQ(TM) multiplexed quantitation chemistry</umod:alt_name> - <umod:misc_notes>Other 4 channels have the same nominal mass but slightly different exact mass. For quantitation purposes, use iTRAQ8plex for all channels</umod:misc_notes> - </umod:mod> - <umod:mod title="DTT_ST" full_name="Dithiothreitol (DTT)" - username_of_poster="stephenaw777" - group_of_poster="" - date_time_posted="2007-02-10 00:00:43" - date_time_modified="2007-02-11 19:39:11" - approved="0" - record_id="735"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="1"> - <umod:misc_notes>The addition of DTT adds 136.2 not 154.2 to Serine due to loss of water in reaction</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Chemical derivative" - spec_group="2"> - <umod:misc_notes>The addition of DTT adds 136.2 not 154.2 to Threonine due to loss of water in reaction</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="136.001656" avge_mass="136.2357" composition="H(8) C(4) O S(2)"> - <umod:element symbol="H" number="8"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="2"/> - </umod:delta> - <umod:alt_name>threo-1,4-dimercaptobutane-2,3-diol</umod:alt_name> - <umod:alt_name>Cleland's reagent</umod:alt_name> - <umod:xref> - <umod:text>Methods Enzymol. 2006;415:113-33. Links rnIdentification of O-GlcNAc sites on proteins.Whelan SA, Hart GW.</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url>17116471</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Mol Cell Proteomics. 2002 Oct;1(10):791-804. rnMapping sites of O-GlcNAc modification using affinity tags for serine and threonine post-translational modifications.Wells L, Vosseller K, Cole RN, Cronshaw JM, Matunis MJ, Hart GW.</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url>12438562</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Proteomics. 2005 Feb;5(2):388-98. Links rnQuantitative analysis of both protein expression and serine / threonine post-translational modifications through stable isotope labeling with dithiothreitol.Vosseller K, Hansen KC, Chalkley RJ, Trinidad JC, Wells L, Hart GW, Burlingame AL.</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url>15648052</umod:url> - </umod:xref> - <umod:misc_notes>Beta-elimination and Michael addition of dithiothreitol (DTT) to serine and threonine adds a weight of approximately 136.2.</umod:misc_notes> - </umod:mod> - <umod:mod title="Ethanolamine" full_name="Carboxyl modification with ethanolamine" - username_of_poster="overalllab" - group_of_poster="" - date_time_posted="2007-01-31 22:04:44" - date_time_modified="2007-02-11 19:39:59" - approved="0" - record_id="734"> - <umod:specificity hidden="1" site="D" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="C-term" position="Any C-term" - classification="Chemical derivative" - spec_group="1"/> - <umod:specificity hidden="1" site="E" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:delta mono_mass="43.042199" avge_mass="43.0678" composition="H(5) C(2) N"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="1"/> - </umod:delta> - <umod:misc_notes>Carbodiimide mediated blocking of free carboxylic acids (Asp/Glu sidechains and C-termini) with ethanolamine; reaction yields an amide-bond between the carboxylic acid of the peptide/protein and the primary amine of ethanolamine; reaction irreversibly modifies carboxylic acids. Shown above is the composition of the mass adduct, after substraction of water.</umod:misc_notes> - </umod:mod> - <umod:mod title="TMT6plex" full_name="Sixplex Tandem Mass Tag®" - username_of_poster="JUergen.schaefer" - group_of_poster="" - date_time_posted="2007-03-01 13:44:23" - date_time_modified="2007-03-03 18:24:35" - approved="0" - record_id="737"> - <umod:specificity hidden="0" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:specificity hidden="0" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:delta mono_mass="229.162932" avge_mass="229.2634" - composition="H(20) C(8) 13C(4) N 15N O(2)"> - <umod:element symbol="H" number="20"/> - <umod:element symbol="C" number="8"/> - <umod:element symbol="13C" number="4"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="15N" number="1"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>Tandem Mass Tag sixplex labelling kit Proteome Sciences</umod:alt_name> - <umod:alt_name>Tandem Mass Tag® and TMT® are registered Trademarks of Proteome Sciences plc.</umod:alt_name> - <umod:xref> - <umod:text>Juergen.Schaefer@Proteomics.com</umod:text> - <umod:source>Other</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Sixplex-TMT® reagents 6TMT-126, 6TMT-127, 6TMT-128, 6TMT-129, 6TMT-130, 6TMT-131 Masses of the TMT® fragment ions to be quantified:126.1283 127.1316 128.1350 129.1383 130.1417 131.1387</umod:misc_notes> - </umod:mod> - <umod:mod title="DTT_C" full_name="Dithiothreitol (DTT) on Cys" - username_of_poster="stephenaw777" - group_of_poster="" - date_time_posted="2007-02-10 03:12:41" - date_time_modified="2007-02-11 19:38:59" - approved="0" - record_id="736"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="120.024500" avge_mass="120.1701" composition="H(8) C(4) O(2) S"> - <umod:element symbol="H" number="8"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>Cleland's reagent</umod:alt_name> - <umod:xref> - <umod:text>Methods Enzymol. 2006;415:113-33. Links rnIdentification of O-GlcNAc sites on proteins.Whelan SA, Hart GW.</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url>17116471</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Mol Cell Proteomics. 2006 May;5(5):923-34. Epub 2006 Feb 1. Links rnO-linked N-acetylglucosamine proteomics of postsynaptic density preparations using lectin weak affinity chromatography and mass spectrometry.Vosseller K, Trinidad JC, Chalkley RJ, Specht CG, Thalhammer A, Lynn AJ, Snedecor JO, Guan S, Medzihradszky KF, Maltby DA, Schoepfer R, Burlingame AL.</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url>16452088</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Mol Cell Proteomics. 2002 Oct;1(10):791-804. Mapping sites of O-GlcNAc modification using affinity tags for serine and threonine post-translational modifications.Wells L, Vosseller K, Cole RN, Cronshaw JM, Matunis MJ, Hart GW.</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url>12438562</umod:url> - </umod:xref> - <umod:misc_notes>When the beta-elimination and Michael addition of dithiothreitol (DTT) (BEMAD) reaction is used with alkylated cysteine a sulfur group is lost leaving the addition of approximately 120.2 in the chemical reaction.</umod:misc_notes> - </umod:mod> - <umod:mod title="TMT2plex" full_name="Duplex Tandem Mass Tag®" - username_of_poster="JUergen.schaefer" - group_of_poster="" - date_time_posted="2007-03-01 13:53:36" - date_time_modified="2007-03-03 18:23:19" - approved="0" - record_id="738"> - <umod:specificity hidden="0" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="0" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="225.155833" avge_mass="225.2921" - composition="H(20) C(11) 13C N(2) O(2)"> - <umod:element symbol="H" number="20"/> - <umod:element symbol="C" number="11"/> - <umod:element symbol="13C" number="1"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>Tandem Mass Tag® and TMT® are registered Trademarks of Proteome Sciences plc.</umod:alt_name> - <umod:alt_name>Tandem Mass Tag Duplex labelling kit Proteome Sciences</umod:alt_name> - <umod:xref> - <umod:text>Juergen.Schaefer@Proteomics.com</umod:text> - <umod:source>Other</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Duplex-TMT® reagents 2TMT-126, 2TMT-127 Masses of the TMT® fragment ions to be quantified: 126.1283 127.1316</umod:misc_notes> - </umod:mod> - <umod:mod title="TMT" full_name="Native Tandem Mass Tag®" - username_of_poster="JUergen.schaefer" - group_of_poster="" - date_time_posted="2007-03-02 09:29:50" - date_time_modified="2007-03-03 18:21:42" - approved="0" - record_id="739"> - <umod:specificity hidden="0" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="0" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="224.152478" avge_mass="224.2994" composition="H(20) C(12) N(2) O(2)"> - <umod:element symbol="H" number="20"/> - <umod:element symbol="C" number="12"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>Tandem Mass Tag® and TMT® are registered Trademarks of Proteome Sciences plc.</umod:alt_name> - <umod:xref> - <umod:text>Juergen.Schaefer@Proteomics.com</umod:text> - <umod:source>Other</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>This modification describes the \"native\" TMT Reagent without isotopic label.</umod:misc_notes> - </umod:mod> - <umod:mod title="ExacTagThiol" full_name="ExacTag Thiol label mass for 2-4-7-10 plex" - username_of_poster="cparman" - group_of_poster="" - date_time_posted="2007-03-02 17:24:48" - date_time_modified="2007-03-03 18:28:20" - approved="0" - record_id="740"> - <umod:specificity hidden="0" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="972.365219" avge_mass="972.7268" - composition="H(50) C(23) 13C(12) N(8) 15N(6) O(18)"> - <umod:element symbol="H" number="50"/> - <umod:element symbol="C" number="23"/> - <umod:element symbol="13C" number="12"/> - <umod:element symbol="N" number="8"/> - <umod:element symbol="15N" number="6"/> - <umod:element symbol="O" number="18"/> - </umod:delta> - <umod:alt_name>PerkinElmer ExacTag Thiol kit</umod:alt_name> - <umod:xref> - <umod:text>PerkinElmer ExacTag product page</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.perkinelmer.com/exactag</umod:url> - </umod:xref> - <umod:misc_notes>Accurate mass for Exactag Thiol labels</umod:misc_notes> - </umod:mod> - <umod:mod title="ExacTagAmine" full_name="ExacTag Amine label mass for 2-4-7-10 plex" - username_of_poster="cparman" - group_of_poster="" - date_time_posted="2007-03-02 17:28:02" - date_time_modified="2007-05-02 14:15:44" - approved="0" - record_id="741"> - <umod:specificity hidden="0" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="1046.347854" avge_mass="1046.8285" - composition="H(52) C(25) 13C(12) N(8) 15N(6) O(19) S"> - <umod:element symbol="H" number="52"/> - <umod:element symbol="C" number="25"/> - <umod:element symbol="13C" number="12"/> - <umod:element symbol="N" number="8"/> - <umod:element symbol="15N" number="6"/> - <umod:element symbol="O" number="19"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>PerkinElmer ExacTag Amine kit</umod:alt_name> - <umod:xref> - <umod:text>PerkinElmer ExacTag product page</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.perkinelmer.com/exactag</umod:url> - </umod:xref> - <umod:misc_notes>Accurate mass for Exactag Amine labels. Includes the mass of the conjugation reagent</umod:misc_notes> - </umod:mod> - <umod:mod title="NO_SMX_SEMD" - full_name="Nitroso Sulfamethoxazole Sulphenamide thiol adduct" - username_of_poster="stewartb" - group_of_poster="" - date_time_posted="2007-04-17 23:28:29" - date_time_modified="2007-04-21 16:55:48" - approved="0" - record_id="744"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="252.044287" avge_mass="252.2697" - composition="H(10) C(10) N(3) O(3) S"> - <umod:element symbol="H" number="10"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Naisbitt, D. J., O'Neill, P. M., Pirohamed, M., and Park, B. K. 1996. Bioorganic and Medicinal Chemistry Letters 6(13):1511-1516.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Synthesis and Reactions of Nitroso Sulphamethoxazole with Biological Nucleophiles: Implications for Immune Mediated Toxicity.</umod:misc_notes> - </umod:mod> - <umod:mod title="4-ONE+Delta:H(-2)O(-1)" - full_name="Dehydrated 4-Oxononenal Michael adduct" - username_of_poster="stewartb" - group_of_poster="" - date_time_posted="2007-03-21 21:21:34" - date_time_modified="2007-04-08 18:56:36" - approved="0" - record_id="743"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="136.088815" avge_mass="136.1910" composition="H(12) C(9) O"> - <umod:element symbol="H" number="12"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Liu. Z., Minkler, P. E., and Sayre, L. M. Chem. Res. Toxico. 2003, 16, 901-911.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Mass Spectorscopic Characterization of Protein Modification by 4-hydroxy-2-(E)-nonenal and 4-oxo-2-(E)-nonenal</umod:misc_notes> - </umod:mod> - <umod:mod title="NO_SMX_SMCT" - full_name="Nitroso Sulfamethoxazole semimercaptal thiol adduct" - username_of_poster="stewartb" - group_of_poster="" - date_time_posted="2007-04-18 21:37:48" - date_time_modified="2007-04-21 16:56:19" - approved="0" - record_id="745"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="268.039202" avge_mass="268.2691" - composition="H(10) C(10) N(3) O(4) S"> - <umod:element symbol="H" number="10"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Naisbitt, D. J., O'Neill, P. M., Pirohamed, M., and Park, B. K. 1996. Bioorganic and Medicinal Chemistry Letters 6(13):1511-1516.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Synthesis and Reactions of Nitroso Sulphamethoxazole with Biological Nucleophiles: Implications for Immune Mediated Toxicity.</umod:misc_notes> - </umod:mod> - <umod:mod title="NO_SMX_SIMD" - full_name="Nitroso Sulfamethoxazole Sulfinamide thiol adduct" - username_of_poster="stewartb" - group_of_poster="" - date_time_posted="2007-04-18 21:39:11" - date_time_modified="2007-04-21 16:56:07" - approved="0" - record_id="746"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="267.031377" avge_mass="267.2612" - composition="H(9) C(10) N(3) O(4) S"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Naisbitt, D. J., O'Neill, P. M., Pirohamed, M., and Park, B. K. 1996. Bioorganic and Medicinal Chemistry Letters 6(13):1511-1516.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Synthesis and Reactions of Nitroso Sulphamethoxazole with Biological Nucleophiles: Implications for Immune Mediated Toxicity.</umod:misc_notes> - </umod:mod> - <umod:mod title="Malonyl" full_name="Malonylation of C and S residues" - username_of_poster="massy" - group_of_poster="" - date_time_posted="2007-05-17 14:17:42" - date_time_modified="2007-05-25 18:34:43" - approved="0" - record_id="747"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:delta mono_mass="86.000394" avge_mass="86.0462" composition="H(2) C(3) O(3)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="O" number="3"/> - </umod:delta> - </umod:mod> - <umod:mod title="3sulfo" - full_name="derivatization by N-term modification using 3-Sulfobenzoic succinimidyl ester" - username_of_poster="MaxWis" - group_of_poster="" - date_time_posted="2007-05-31 10:15:48" - date_time_modified="2007-06-24 19:58:07" - approved="0" - record_id="748"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="183.983029" avge_mass="184.1693" composition="H(4) C(7) O(4) S"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="7"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="trifluoro" full_name="trifluoroleucine replacement of leucine" - username_of_poster="UKMSF" - group_of_poster="" - date_time_posted="2007-06-13 17:10:33" - date_time_modified="2007-06-24 19:56:32" - approved="0" - record_id="750"> - <umod:specificity hidden="1" site="L" position="Anywhere" classification="Non-standard residue" - spec_group="1"/> - <umod:delta mono_mass="53.971735" avge_mass="53.9714" composition="H(-3) F(3)"> - <umod:element symbol="H" number="-3"/> - <umod:element symbol="F" number="3"/> - </umod:delta> - </umod:mod> - <umod:mod title="TNBS" full_name="tri nitro benzene" username_of_poster="DelphineP" - group_of_poster="" - date_time_posted="2007-06-21 13:36:03" - date_time_modified="2007-06-24 19:58:58" - approved="0" - record_id="751"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="210.986535" avge_mass="211.0886" composition="H C(6) N(3) O(6)"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="6"/> - </umod:delta> - </umod:mod> - <umod:mod title="Biotin-phenacyl" - full_name="Alkylation by biotinylated form of phenacyl bromide" - username_of_poster="Sandeep" - group_of_poster="" - date_time_posted="2007-09-14 23:07:12" - date_time_modified="2007-10-03 15:42:46" - approved="0" - record_id="774"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:specificity hidden="1" site="H" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:delta mono_mass="626.263502" avge_mass="626.7270" - composition="H(38) C(29) N(8) O(6) S"> - <umod:element symbol="H" number="38"/> - <umod:element symbol="C" number="29"/> - <umod:element symbol="N" number="8"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>4-bromophenacyl bromide [99-73-0]</umod:text> - <umod:source>CAS Registry</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>428399</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>phenacyl bromide conjugated with a linker and biotin tag, details not published yet</umod:misc_notes> - </umod:mod> - <umod:mod title="DTT_C:2H(6)" - full_name="Isotopically labeled Dithiothreitol (DTT) modification of cysteines" - username_of_poster="chalkley" - group_of_poster="" - date_time_posted="2007-07-10 20:44:56" - date_time_modified="2007-07-10 21:10:28" - approved="0" - record_id="764"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="126.062161" avge_mass="126.2071" - composition="H(2) 2H(6) C(4) O(2) S"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="2H" number="6"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>Cleland's reagent</umod:alt_name> - <umod:xref> - <umod:text>Vosseller K, Hansen KC, Chalkley RJ, Trinidad JC, Wells L, Hart GW, Burlingame AL. Proteomics. 2005 5(2):388-98. Quantitative analysis of both protein expression and serine / threonine post-translational modifications through stable isotope labeling with dithiothreitol.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>15648052</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Can be used for quantitative analysis of cysteine-containing peptides. Same reaction can be used for quantitative analysis of O-linked post-translational modifications to serines and threonines, but then the modification is 16 Da more in mass; i.e. isotopically labeled reagent adds 142 Da in mass.</umod:misc_notes> - </umod:mod> - <umod:mod title="lapachenole" full_name="lapachenole photochemically added to cysteine" - username_of_poster="hmfales" - group_of_poster="" - date_time_posted="2007-08-17 22:22:15" - date_time_modified="2007-09-07 16:52:37" - approved="0" - record_id="771"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"> - <umod:misc_notes>Simple cyclic compound C16H16O2 adds to cysteine forming fluorescent derivative.</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="240.115030" avge_mass="240.2970" composition="H(16) C(16) O(2)"> - <umod:element symbol="H" number="16"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>Biochemistry 2005 vol 44 pp 1833-1845</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://dx.doi.org/10.1021/bi048228c</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Label:13C(5)" full_name="13C(5) Silac label" username_of_poster="unimod" - group_of_poster="" - date_time_posted="2007-08-22 18:36:11" - date_time_modified="2007-08-22 18:36:11" - approved="1" - record_id="772"> - <umod:specificity hidden="1" site="P" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>Result of Arg to Pro conversion of 13C(6) labelled Arg</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="5.016774" avge_mass="4.9633" composition="C(-5) 13C(5)"> - <umod:element symbol="C" number="-5"/> - <umod:element symbol="13C" number="5"/> - </umod:delta> - <umod:xref> - <umod:text>Ong, S-E, I. Kratchmarova, and M. Mann (2003). J Proteome Research 2: 173-181</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Silac introduction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>12716131</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="maleimide" full_name="maleimide" username_of_poster="mjayson" - group_of_poster="" - date_time_posted="2007-09-05 23:31:52" - date_time_modified="2007-09-06 11:28:09" - approved="0" - record_id="773"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="97.016378" avge_mass="97.0721" composition="H(3) C(4) N O(2)"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - </umod:mod> - <umod:mod title="IDEnT" full_name="Isotope Distribution Encoded Tag" - username_of_poster="chalkley" - group_of_poster="" - date_time_posted="2007-07-10 20:14:50" - date_time_modified="2007-07-15 20:04:29" - approved="0" - record_id="762"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="214.990469" avge_mass="216.0640" composition="H(7) C(9) N O Cl(2)"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="Cl" number="2"/> - </umod:delta> - <umod:alt_name>2,4-dichlorobenzylcarbamidomethyl</umod:alt_name> - <umod:xref> - <umod:text>Analytical Chemistry (2000) 72 6 1112-1118</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>10740847</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Modified peptides identified by isotope pattern. Restriction to cysteine-containing peptides combined with high mass accuracy allows peptide identification.</umod:misc_notes> - </umod:mod> - <umod:mod title="DTT_ST:2H(6)" - full_name="Isotopically labeled Dithiothreitol (DTT) modification of serines or threonines" - username_of_poster="chalkley" - group_of_poster="" - date_time_posted="2007-07-10 20:34:46" - date_time_modified="2007-07-10 21:11:44" - approved="0" - record_id="763"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Isotopic label" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="142.039317" avge_mass="142.2727" - composition="H(2) 2H(6) C(4) O S(2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="2H" number="6"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="2"/> - </umod:delta> - <umod:alt_name>Cleland's reagent</umod:alt_name> - <umod:xref> - <umod:text>15648052</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Vosseller K, Hansen KC, Chalkley RJ, Trinidad JC, Wells L, Hart GW, Burlingame AL. Proteomics. 2005 5(2):388-98. Quantitative analysis of both protein expression and serine / threonine post-translational modifications through stable isotope labeling with dithiothreitol.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Can be used for quantitative analysis of O-linked post-translational modifications. Same reaction can be used for quantitative analysis of cysteine-containing peptides, but then the modification is 16 Da less in mass; i.e. isotopically labeled reagent adds 126 Da in mass.</umod:misc_notes> - </umod:mod> - <umod:mod title="Met-loss" - full_name="Removal of initiator methionine from protein N-terminus" - username_of_poster="chalkley" - group_of_poster="" - date_time_posted="2007-07-10 22:40:00" - date_time_modified="2007-07-15 20:01:35" - approved="0" - record_id="765"> - <umod:specificity hidden="1" site="M" position="Protein N-term" classification="Co-translational" - spec_group="1"/> - <umod:delta mono_mass="-131.040485" avge_mass="-131.1961" - composition="H(-9) C(-5) N(-1) O(-1) S(-1)"> - <umod:element symbol="H" number="-9"/> - <umod:element symbol="C" number="-5"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>Biochemistry (1987) 26 8242-8246</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>3327521</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>N-terminal initiator methionine is removed by a methionine aminopeptidase from proteins where the residue following the methionine is Ala, Cys, Gly, Pro, Ser, Thr or Val. This is generally the final N-terminal state for proteins where the following residue was a Cys, Pro or Val.</umod:misc_notes> - </umod:mod> - <umod:mod title="Met-loss+Acetyl" - full_name="Removal of initiator methionine from protein N-terminus, then acetylation of the new N-terminus" - username_of_poster="chalkley" - group_of_poster="" - date_time_posted="2007-07-10 22:57:12" - date_time_modified="2007-07-15 20:01:06" - approved="0" - record_id="766"> - <umod:specificity hidden="1" site="M" position="Protein N-term" classification="Co-translational" - spec_group="1"/> - <umod:delta mono_mass="-89.029920" avge_mass="-89.1594" - composition="H(-7) C(-3) N(-1) S(-1)"> - <umod:element symbol="H" number="-7"/> - <umod:element symbol="C" number="-3"/> - <umod:element symbol="N" number="-1"/> - <umod:element symbol="S" number="-1"/> - </umod:delta> - <umod:xref> - <umod:text>3327521</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Biochemistry (1987) 26 8242-8246</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>The N-terminal initiator methionine is removed by a methionine aminopeptidase from proteins whose residue following the methionine is Ala, Cys, Gly, Pro, Ser, Thr or Val. Proteins whose following residue was Ala, Gly, Ser or Thr are then acetylated by an N(alpha)-acetyltransferase on the new N-terminus.</umod:misc_notes> - </umod:mod> - <umod:mod title="Menadione-HQ" full_name="Menadione hydroquinone derivative" - username_of_poster="catsriku" - group_of_poster="" - date_time_posted="2007-07-12 07:35:07" - date_time_modified="2007-07-15 20:05:56" - approved="0" - record_id="767"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="172.052430" avge_mass="172.1800" composition="H(8) C(11) O(2)"> - <umod:element symbol="H" number="8"/> - <umod:element symbol="C" number="11"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>15939799</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Carboxymethyl:13C(2)" - full_name="Iodoacetic acid derivative w/ 13C label" - username_of_poster="mpcusack" - group_of_poster="" - date_time_posted="2007-09-18 19:26:42" - date_time_modified="2008-06-22 12:00:27" - approved="0" - record_id="775"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="60.012189" avge_mass="60.0214" composition="H(2) 13C(2) O(2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="13C" number="2"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>Carboxymethylation w/ 13C label</umod:alt_name> - <umod:xref> - <umod:text>B. Schilling, C.B. Yoo, C.J. Collins, B.W. Gibson, Determining Cysteine Oxidation Status Using Differential Alkylation, Int. J. Mass Spectrom., 2004, 236 (1-3), 117-121</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://dx.doi.org/10.1016/j.ijms.2004.06.004</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="NEM:2H(5)" full_name="D5 N-ethylmaleimide on cysteines" - username_of_poster="mpcusack" - group_of_poster="" - date_time_posted="2007-09-18 19:49:39" - date_time_modified="2007-09-28 10:37:50" - approved="0" - record_id="776"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="130.079062" avge_mass="130.1561" - composition="H(2) 2H(5) C(6) N O(2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="2H" number="5"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>CysNEM D5</umod:alt_name> - <umod:xref> - <umod:text>reaction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.chemistry.ucsc.edu/~fink/231/Image118.gif</umod:url> - </umod:xref> - <umod:xref> - <umod:text>12777388</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>11813307</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Gly-loss+Amide" - full_name="Enzymatic glycine removal leaving an amidated C-terminus" - username_of_poster="timothyr" - group_of_poster="" - date_time_posted="2008-02-06 09:33:39" - date_time_modified="2008-02-15 05:34:31" - approved="0" - record_id="822"> - <umod:specificity hidden="1" site="G" position="Any C-term" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="-58.005479" avge_mass="-58.0361" composition="H(-2) C(-2) O(-2)"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="O" number="-2"/> - </umod:delta> - <umod:alt_name>Amidation requires presence of glycine at peptide terminus</umod:alt_name> - <umod:xref> - <umod:text>Bradbury, A.F. and D.G. Smyth, Peptide amidation. Trends Biochem Sci, 1991. 16(3): p. 112-5.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="TMPP-Ac" - full_name="tris(2,4,6-trimethoxyphenyl)phosphonium acetic acid N-hydroxysuccinimide ester derivative" - username_of_poster="unimod" - group_of_poster="" - date_time_posted="2008-02-20 14:12:31" - date_time_modified="2008-02-20 14:23:30" - approved="0" - record_id="827"> - <umod:specificity hidden="1" site="N-term" position="Any N-term" - classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="573.188959" avge_mass="573.5480" composition="H(34) C(29) O(10) P"> - <umod:element symbol="H" number="34"/> - <umod:element symbol="C" number="29"/> - <umod:element symbol="O" number="10"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Weibin Chen et. al., Anal. Chem.2007, 79,1583-1590</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://dx.doi.org/10.1021/ac061670b</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Label:13C(6)+GlyGly" full_name="13C6 labeled ubiquitinylation residue" - username_of_poster="glick2" - group_of_poster="" - date_time_posted="2007-12-02 22:45:39" - date_time_modified="2008-07-04 19:11:02" - approved="0" - record_id="799"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="120.063056" avge_mass="120.0586" - composition="H(6) C(-2) 13C(6) N(2) O(2)"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>Ong, S-E, I. Kratchmarova, and M. Mann (2003). J Proteome Research 2: 173-181</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url>http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=pubmed&cmd=Retrieve&dopt=AbstractPlus&list_uids=12716131&itool=pubmed_docsum</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Peng J, Schwartz D, Elias JE, Thoreen CC, Cheng D, Marsischky G, Roelofs J, Finley D, Gygi SP. - -Nat Biotechnol. 2003 Aug;21(8):921-6</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url>http://www.ncbi.nlm.nih.gov/sites/entrez?db=pubmed&cmd=Retrieve&dopt=AbstractPlus&list_uids=12872131&itool=pubmed_docsum</umod:url> - </umod:xref> - <umod:misc_notes>The two glycine residues left on SILAC labeled ubiquitinylated lysine after tryptic digestion</umod:misc_notes> - </umod:mod> - <umod:mod title="Arg->Npo" full_name="Arginine replacement by Nitropyrimidyl ornithine" - username_of_poster="Kramerh" - group_of_poster="" - date_time_posted="2008-04-10 15:35:22" - date_time_modified="2008-04-21 18:30:45" - approved="0" - record_id="837"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="80.985078" avge_mass="81.0297" composition="H(-1) C(3) N O(2)"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>JBC 258(1) 203-207 1983</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://www.jbc.org/cgi/reprint/258/1/203.pdf</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Label:2H(4)+Acetyl" full_name="Acetyl 4,4,5,5-D4 Lysine" - username_of_poster="Raghothama" - group_of_poster="" - date_time_posted="2008-03-24 17:25:15" - date_time_modified="2008-04-02 10:17:08" - approved="0" - record_id="834"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>Both isotopiclabel and post translational mod</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="46.035672" avge_mass="46.0613" composition="H(-2) 2H(4) C(2) O"> - <umod:element symbol="H" number="-2"/> - <umod:element symbol="2H" number="4"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>Acetyl_K4</umod:alt_name> - <umod:misc_notes>For SILAC experiments, + PTM</umod:misc_notes> - </umod:mod> - <umod:mod title="Pentylamine" - full_name="Labeling transglutaminase substrate on glutamine side chain" - username_of_poster="mengyi" - group_of_poster="" - date_time_posted="2007-12-05 11:08:02" - date_time_modified="2007-12-14 17:52:16" - approved="0" - record_id="801"> - <umod:specificity hidden="1" site="Q" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="85.089149" avge_mass="85.1475" composition="H(11) C(5) N"> - <umod:element symbol="H" number="11"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="PentylamineBiotin" - full_name="Used for labeling glutamine-donor substrate of transglutaminase" - username_of_poster="mengyi" - group_of_poster="" - date_time_posted="2007-12-03 13:56:58" - date_time_modified="2007-12-04 09:00:49" - approved="0" - record_id="800"> - <umod:specificity hidden="1" site="Q" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="311.166748" avge_mass="311.4429" - composition="H(25) C(15) N(3) O(2) S"> - <umod:element symbol="H" number="25"/> - <umod:element symbol="C" number="15"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="2"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Pierce EZ-Link Pentylamine-Biotin</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.piercenet.com/Products/Browse.cfm?fldID=01031206</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Dihydroxyimidazolidine" full_name="Dihydroxy methylglyoxal adduct" - username_of_poster="kimzey" - group_of_poster="" - date_time_posted="2008-03-04 00:00:29" - date_time_modified="2008-05-22 00:32:41" - approved="0" - record_id="830"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Multiple" - spec_group="1"/> - <umod:delta mono_mass="72.021129" avge_mass="72.0627" composition="H(4) C(3) O(2)"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>J. Mass. Spectrom. 2007; 42:89-100.</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://dx.doi.org/10.1002/jms.1144</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="DFDNB" full_name="Addition of DFDNB crosslinker" - username_of_poster="Larsenmarsen" - group_of_poster="" - date_time_posted="2008-02-13 15:35:40" - date_time_modified="2008-03-05 16:48:47" - approved="0" - record_id="825"> - <umod:specificity hidden="1" site="Q" position="Anywhere" classification="Chemical derivative" - spec_group="3"/> - <umod:specificity hidden="1" site="N" position="Anywhere" classification="Chemical derivative" - spec_group="4"/> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="2"/> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="203.998263" avge_mass="204.0879" - composition="H(2) C(6) N(2) O(4) F(2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="4"/> - <umod:element symbol="F" number="2"/> - </umod:delta> - <umod:xref> - <umod:text>Chen, X., et al. (1999). Anal. Biochem. 273, 192-203.</umod:text> - <umod:source>Other</umod:source> - <umod:url>http://www.piercenet.com/products/browse.cfm?fldID=02030220</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Kornblatt, J.A. and Lake, D.F. (1980). Crosslinking of cytochrome oxidase subunits with difluorodinitrobenzene. Can J. Biochem. 58, 219-224.</umod:text> - <umod:source>Other</umod:source> - <umod:url>http://www.piercenet.com/products/browse.cfm?fldID=02030220</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Cy3b-maleimide" full_name="fluorescent dye that labels cysteines" - username_of_poster="kfinan" - group_of_poster="" - date_time_posted="2008-02-01 16:03:09" - date_time_modified="2008-02-15 14:09:55" - approved="0" - record_id="821"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="796.238984" avge_mass="796.8086" - composition="H(39) C(39) N(4) O(9) F(3) S"> - <umod:element symbol="H" number="39"/> - <umod:element symbol="C" number="39"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="9"/> - <umod:element symbol="F" number="3"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:alt_name>Cy3b meleimide reacted with Cysteine</umod:alt_name> - <umod:xref> - <umod:text>Article describing design of Cy3B</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://www.springerlink.com/content/q3u3271467573733/</umod:url> - </umod:xref> - <umod:xref> - <umod:text>Amersham website for chemical</umod:text> - <umod:source>Other</umod:source> - <umod:url>http://www1.gelifesciences.com/APTRIX/upp01077.nsf/Content/Products?OpenDocument&parentid=658513&moduleid=166300</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Hex1HexNAc1" full_name="Hex1HexNAc1" username_of_poster="julienjardin" - group_of_poster="" - date_time_posted="2007-10-12 13:16:23" - date_time_modified="2007-10-20 19:28:06" - approved="0" - record_id="793"> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="O-linked glycosylation" - spec_group="2"/> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="O-linked glycosylation" - spec_group="1"/> - <umod:delta mono_mass="365.132196" avge_mass="365.3331" composition="Hex HexNAc"> - <umod:element symbol="H" number="23"/> - <umod:element symbol="C" number="14"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="10"/> - </umod:delta> - <umod:xref> - <umod:text>Saito T., Itoh T.; Journal of dairy Science, 75 (1992). p1768.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="AEC-MAEC:2H(4)" full_name="deuterium cysteamine modification to S or T" - username_of_poster="zwang23" - group_of_poster="" - date_time_posted="2007-10-03 19:41:19" - date_time_modified="2007-10-08 13:44:02" - approved="0" - record_id="792"> - <umod:specificity hidden="1" site="S" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:specificity hidden="1" site="T" position="Anywhere" classification="Isotopic label" - spec_group="2"/> - <umod:delta mono_mass="63.044462" avge_mass="63.1580" composition="H 2H(4) C(2) N O(-1) S"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="2H" number="4"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="-1"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - </umod:mod> - <umod:mod title="BMOE" full_name="Addition of BMOE crosslinker" - username_of_poster="Larsenmarsen" - group_of_poster="" - date_time_posted="2008-02-13 15:28:55" - date_time_modified="2008-03-05 16:47:02" - approved="0" - record_id="824"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="220.048407" avge_mass="220.1815" composition="H(8) C(10) N(2) O(4)"> - <umod:element symbol="H" number="8"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="4"/> - </umod:delta> - <umod:xref> - <umod:text>Chen, L.L., Rosa, J.J., Turner, S. and Pepinsky, R.B. (1991). Production of multimeric forms of CD4 through a sugar-based crosslinking strategy. J. Biol. Chem. 266(27), 18237-18243</umod:text> - <umod:source>Other</umod:source> - <umod:url>http://www.piercenet.com/Products/Browse.cfm?fldID=02030208</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Biotin-PEO4-hydrazide" - full_name="Pierce EZ link biotin hydrazide prod no. 21360" - username_of_poster="MCole18" - group_of_poster="" - date_time_posted="2007-12-12 15:23:23" - date_time_modified="2007-12-14 18:09:17" - approved="0" - record_id="811"> - <umod:specificity hidden="1" site="C-term" position="Anywhere" - classification="Chemical derivative" - spec_group="1"> - <umod:misc_notes>hydrazide reacts at any activated carboxyl group</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="487.246455" avge_mass="487.6134" - composition="H(37) C(21) N(5) O(6) S"> - <umod:element symbol="H" number="37"/> - <umod:element symbol="C" number="21"/> - <umod:element symbol="N" number="5"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="S" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Pierce product page</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.piercenet.com/products/browse.cfm?fldID=C4FE82D4-DD06-493C-8EC4-9C1D7F83211B</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Label:13C(6)+Acetyl" full_name="Acetyl 13C(6) Silac label" - username_of_poster="Raghothama" - group_of_poster="" - date_time_posted="2008-03-24 17:33:44" - date_time_modified="2008-04-02 10:14:57" - approved="0" - record_id="835"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>SILAC and PTM</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="48.030694" avge_mass="47.9926" composition="H(2) C(-4) 13C(6) O"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="-4"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Ong, S-E, I. Kratchmarova, and M. Mann (2003). J Proteome Research 2: 173-181</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Silac introduction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>12716131</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Label:13C(6)15N(2)+Acetyl" full_name="Acetyl_13C(6) 15N(2) Silac label" - username_of_poster="Raghothama" - group_of_poster="" - date_time_posted="2008-03-24 17:35:52" - date_time_modified="2008-04-02 10:13:59" - approved="0" - record_id="836"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>Used in SILAC experiment</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="50.024764" avge_mass="49.9794" - composition="H(2) C(-4) 13C(6) N(-2) 15N(2) O"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="-4"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="N" number="-2"/> - <umod:element symbol="15N" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>Acetyl_heavy lysine</umod:alt_name> - <umod:xref> - <umod:text>Silac introduction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url> - </umod:xref> - <umod:xref> - <umod:text>12716131</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="EQIGG" full_name="Sumo mutant Smt3-WT tail following trypsin digestion" - username_of_poster="Magnojunqueira" - group_of_poster="" - date_time_posted="2008-05-13 16:56:23" - date_time_modified="2008-05-17 18:58:13" - approved="0" - record_id="846"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="484.228162" avge_mass="484.5035" composition="H(32) C(20) N(6) O(8)"> - <umod:element symbol="H" number="32"/> - <umod:element symbol="C" number="20"/> - <umod:element symbol="N" number="6"/> - <umod:element symbol="O" number="8"/> - </umod:delta> - <umod:alt_name>Sumoylation</umod:alt_name> - <umod:xref> - <umod:text>Wohlschlegel, J. A. et al., J Proteome Res. 5 761 2006</umod:text> - <umod:source>Journal</umod:source> - <umod:url>http://dx.doi.org/10.1021/pr050451o</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="cGMP" full_name="S-guanylation" username_of_poster="atsushiirie" - group_of_poster="" - date_time_posted="2008-06-21 09:02:53" - date_time_modified="2008-07-04 19:14:47" - approved="0" - record_id="849"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="344.039610" avge_mass="344.1974" - composition="H(11) C(10) N(5) O(7) P"> - <umod:element symbol="H" number="11"/> - <umod:element symbol="C" number="10"/> - <umod:element symbol="N" number="5"/> - <umod:element symbol="O" number="7"/> - <umod:element symbol="P" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Nat Chem Biol. 3: 727-735, 2007</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>17906641</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Protein which is posttranslationally modified by the attachment of cGMP on the sulfur atom of one or more cysteine residues.</umod:misc_notes> - </umod:mod> - <umod:mod title="cGMP+RMP-loss" full_name="S-guanylation-2" - username_of_poster="atsushiirie" - group_of_poster="" - date_time_posted="2008-06-21 09:06:56" - date_time_modified="2008-07-04 19:22:39" - approved="0" - record_id="851"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="150.041585" avge_mass="150.1182" composition="H(4) C(5) N(5) O"> - <umod:element symbol="H" number="4"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="5"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>17906641</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Nat Chem Biol. 3: 727-735, 2007</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:misc_notes>Protein which is posttranslationally modified by the attachment of cGMP that has lost ribose 3\',5\'-cyclic monophosphate moiety on the sulfur atom of one or more cysteine residues.</umod:misc_notes> - </umod:mod> - <umod:mod title="Arg2PG" full_name="Adduct of phenylglyoxal with Arg" - username_of_poster="Kramerh" - group_of_poster="" - date_time_posted="2008-05-16 11:07:51" - date_time_modified="2008-05-17 19:01:10" - approved="0" - record_id="848"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Chemical derivative" - spec_group="1"> - <umod:misc_notes>The reaction product of Arg with phenylglyoxal has been shown to be a 2:1 adduct</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="266.057909" avge_mass="266.2482" composition="H(10) C(16) O(4)"> - <umod:element symbol="H" number="10"/> - <umod:element symbol="C" number="16"/> - <umod:element symbol="O" number="4"/> - </umod:delta> - <umod:xref> - <umod:text>PMID 11698400rnLigand-selective modulation of the permeability transition pore by arginine modification. Opposing effects of p-hydroxyphenylglyoxal and phenylglyoxal.</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url>http://www.ncbi.nlm.nih.gov/pubmed/11698400?ordinalpos=39&itool=EntrezSystem2.PEntrez.Pubmed.Pubmed_ResultsPanel.Pubmed_RVDocSum</umod:url> - </umod:xref> - <umod:xref> - <umod:text>PMID 5723461rnThe reaction of phenylglyoxal with arginine residues in proteins.</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url>http://www.ncbi.nlm.nih.gov/pubmed/5723461?ordinalpos=517&itool=EntrezSystem2.PEntrez.Pubmed.Pubmed_ResultsPanel.Pubmed_RVDocSum</umod:url> - </umod:xref> - <umod:xref> - <umod:text>PMID 11945751rnReaction of arginine residues in basic pancreatic trypsin inhibitor with phenylglyoxal.</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url>http://www.ncbi.nlm.nih.gov/pubmed/11945751?ordinalpos=514&itool=EntrezSystem2.PEntrez.Pubmed.Pubmed_ResultsPanel.Pubmed_RVDocSum</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="Label:2H(4)+GlyGly" full_name="Ubiquitination 2H4 lysine" - username_of_poster="Raghothama" - group_of_poster="" - date_time_posted="2008-06-27 14:28:36" - date_time_modified="2008-08-13 20:29:26" - approved="0" - record_id="853"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Post-translational" - spec_group="1"/> - <umod:delta mono_mass="118.068034" avge_mass="118.1273" - composition="H(2) 2H(4) C(4) N(2) O(2)"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="2H" number="4"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - </umod:mod> - <umod:mod title="Label:13C(8)15N(2)" full_name="13C(8) 15N(2) Silac label" - username_of_poster="nedamoc" - group_of_poster="" - date_time_posted="2008-06-30 20:11:08" - date_time_modified="2008-07-04 19:07:25" - approved="0" - record_id="854"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:delta mono_mass="10.020909" avge_mass="9.9281" - composition="C(-8) 13C(8) N(-2) 15N(2)"> - <umod:element symbol="C" number="-8"/> - <umod:element symbol="13C" number="8"/> - <umod:element symbol="N" number="-2"/> - <umod:element symbol="15N" number="2"/> - </umod:delta> - </umod:mod> - <umod:mod title="Label:13C(1)2H(3)" full_name="SILAC" username_of_poster="msalek" - group_of_poster="" - date_time_posted="2008-08-11 13:43:25" - date_time_modified="2008-08-14 18:16:30" - approved="0" - record_id="862"> - <umod:specificity hidden="1" site="M" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>Isotopic labeled methionine SILAC</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="4.022185" avge_mass="4.0111" composition="H(-3) 2H(3) C(-1) 13C"> - <umod:element symbol="H" number="-3"/> - <umod:element symbol="2H" number="3"/> - <umod:element symbol="C" number="-1"/> - <umod:element symbol="13C" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Silac introduction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="ZGB" full_name="NHS ester linked Green Fluorescent Bodipy Dye" - username_of_poster="JBowden" - group_of_poster="" - date_time_posted="2008-07-30 14:51:06" - date_time_modified="2008-08-14 18:13:03" - approved="0" - record_id="861"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="1"/> - <umod:specificity hidden="1" site="N-term" position="Any N-term" classification="Other" - spec_group="2"/> - <umod:delta mono_mass="757.373016" avge_mass="757.7182" - composition="H(52) B C(37) N(6) O(6) F(2) S"> - <umod:element symbol="H" number="52"/> - <umod:element symbol="C" number="37"/> - <umod:element symbol="N" number="6"/> - <umod:element symbol="O" number="6"/> - <umod:element symbol="F" number="2"/> - <umod:element symbol="S" number="1"/> - <umod:element symbol="B" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>Created for Commercial use by ZDye. Being utilized in proteomic and peptidomic research soon to be published</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.zdye.com/</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="MG-H1" full_name="Methylglyoxal-derived hydroimidazolone" - username_of_poster="AndrewW" - group_of_poster="" - date_time_posted="2008-07-24 14:41:07" - date_time_modified="2008-07-31 17:14:35" - approved="0" - record_id="859"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="54.010565" avge_mass="54.0474" composition="H(2) C(3) O"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>15377717</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="G-H1" full_name="Glyoxal-derived hydroimiadazolone" - username_of_poster="AndrewW" - group_of_poster="" - date_time_posted="2008-07-24 14:44:11" - date_time_modified="2008-07-31 17:16:39" - approved="0" - record_id="860"> - <umod:specificity hidden="1" site="R" position="Anywhere" classification="Other" spec_group="1"/> - <umod:delta mono_mass="39.994915" avge_mass="40.0208" composition="C(2) O"> - <umod:element symbol="C" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:xref> - <umod:text>17143934</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - </umod:mod> - <umod:mod title="Label:13C(6)15N(2)+GlyGly" full_name="13C(6) 15N(2) Lysine glygly" - username_of_poster="Raghothama" - group_of_poster="" - date_time_posted="2008-08-13 21:56:52" - date_time_modified="2008-08-14 18:22:40" - approved="0" - record_id="864"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"> - <umod:misc_notes>Used in SILAC PTM (glygly) experiment</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="122.057126" avge_mass="122.0454" - composition="H(6) C(-2) 13C(6) 15N(2) O(2)"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="-2"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="15N" number="2"/> - <umod:element symbol="O" number="2"/> - </umod:delta> - <umod:alt_name>heavy glygly lysine</umod:alt_name> - <umod:xref> - <umod:text>12716131</umod:text> - <umod:source>PubMed PMID</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Silac introduction</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.pil.sdu.dk/silac_intro.htm</umod:url> - </umod:xref> - </umod:mod> - <umod:mod title="ICPL:13C(6)2H(4)" - full_name="Bruker Daltonics SERVA-ICPL(TM) quantification chemistry, +10 Da form" - username_of_poster="suckau" - group_of_poster="" - date_time_posted="2008-09-03 15:17:21" - date_time_modified="2008-09-12 11:59:23" - approved="0" - record_id="866"> - <umod:specificity hidden="0" site="N-term" position="Any N-term" classification="Isotopic label" - spec_group="3"> - <umod:misc_notes>Use when labelling post-digest</umod:misc_notes> - </umod:specificity> - <umod:specificity hidden="0" site="K" position="Anywhere" classification="Isotopic label" - spec_group="1"/> - <umod:specificity hidden="0" site="N-term" position="Protein N-term" - classification="Isotopic label" - spec_group="2"> - <umod:misc_notes>Use when labelling pre-digest</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="115.066700" avge_mass="115.0747" - composition="H(-1) 2H(4) 13C(6) N O"> - <umod:element symbol="H" number="-1"/> - <umod:element symbol="2H" number="4"/> - <umod:element symbol="13C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:delta> - <umod:alt_name>ICPL_10</umod:alt_name> - <umod:xref> - <umod:text>Schmidt A, Kellermann J, Lottspeich F (2005): A novel strategy for quantitative proteomics using isotope-coded protein labels. Proteomics 5: 4-15.</umod:text> - <umod:source>Journal</umod:source> - <umod:url/> - </umod:xref> - <umod:xref> - <umod:text>Bruker Daltonics order reference</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://www.bdal.de/life-science-tools/care-consumables-more/icpl-kit.html</umod:url> - </umod:xref> - <umod:misc_notes>Attention: As the digest is typically applied AFTER ICPL labeling, only ProteinN-term labeling and Lys-specific labeling is applied.</umod:misc_notes> - </umod:mod> - <umod:mod title="QQQTGG" full_name="SUMOylation by SUMO-2/3" username_of_poster="oosula" - group_of_poster="" - date_time_posted="2008-09-09 17:09:04" - date_time_modified="2008-09-12 18:18:08" - approved="0" - record_id="877"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="1"> - <umod:misc_notes>This peptide is generated from a trypsin/chymotrypsin dual digest</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="617.276903" avge_mass="617.6095" - composition="H(39) C(23) N(9) O(11)"> - <umod:element symbol="H" number="39"/> - <umod:element symbol="C" number="23"/> - <umod:element symbol="N" number="9"/> - <umod:element symbol="O" number="11"/> - </umod:delta> - <umod:alt_name>GlnGlnGlnThrGlyGly</umod:alt_name> - </umod:mod> - <umod:mod title="QEQTGG" full_name="SUMOylation by SUMO-1" username_of_poster="oosula" - group_of_poster="" - date_time_posted="2008-09-09 17:02:45" - date_time_modified="2008-09-12 18:16:39" - approved="0" - record_id="876"> - <umod:specificity hidden="1" site="K" position="Anywhere" classification="Other" spec_group="1"> - <umod:misc_notes>This peptide is generated from a trypsin/chymotrypsin dual digest.</umod:misc_notes> - </umod:specificity> - <umod:delta mono_mass="618.260919" avge_mass="618.5942" - composition="H(38) C(23) N(8) O(12)"> - <umod:element symbol="H" number="38"/> - <umod:element symbol="C" number="23"/> - <umod:element symbol="N" number="8"/> - <umod:element symbol="O" number="12"/> - </umod:delta> - <umod:alt_name>GlnGluGlnThrGlyGly</umod:alt_name> - </umod:mod> - <umod:mod title="Bodipy" full_name="Bodipy modifications onto cysteine" - username_of_poster="anikolakakis" - group_of_poster="" - date_time_posted="2008-09-10 20:24:53" - date_time_modified="2008-09-12 18:30:57" - approved="0" - record_id="878"> - <umod:specificity hidden="1" site="C" position="Anywhere" classification="Chemical derivative" - spec_group="1"/> - <umod:delta mono_mass="414.167478" avge_mass="414.2135" - composition="H(21) B C(20) N(4) O(3) F(2)"> - <umod:element symbol="H" number="21"/> - <umod:element symbol="C" number="20"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="3"/> - <umod:element symbol="F" number="2"/> - <umod:element symbol="B" number="1"/> - </umod:delta> - <umod:alt_name>Which one?</umod:alt_name> - <umod:xref> - <umod:text>Invitrogen BODIPY Handbook</umod:text> - <umod:source>Misc. URL</umod:source> - <umod:url>http://probes.invitrogen.com/handbook/sections/0104.html</umod:url> - </umod:xref> - </umod:mod> - </umod:modifications> - <umod:amino_acids> - <umod:aa title="-" three_letter="" full_name="" mono_mass="0.0" avge_mass="0.0"/> - <umod:aa title="A" three_letter="Ala" full_name="Alanine" mono_mass="71.037114" - avge_mass="71.0779"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:aa> - <umod:aa title="R" three_letter="Arg" full_name="Arginine" mono_mass="156.101111" - avge_mass="156.1857"> - <umod:element symbol="H" number="12"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="4"/> - <umod:element symbol="O" number="1"/> - </umod:aa> - <umod:aa title="N" three_letter="Asn" full_name="Asparagine" mono_mass="114.042927" - avge_mass="114.1026"> - <umod:element symbol="H" number="6"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="2"/> - </umod:aa> - <umod:aa title="D" three_letter="Asp" full_name="Aspartic acid" mono_mass="115.026943" - avge_mass="115.0874"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="3"/> - </umod:aa> - <umod:aa title="C" three_letter="Cys" full_name="Cysteine" mono_mass="103.009185" - avge_mass="103.1429"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="1"/> - </umod:aa> - <umod:aa title="E" three_letter="Glu" full_name="Glutamic acid" mono_mass="129.042593" - avge_mass="129.114"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="3"/> - </umod:aa> - <umod:aa title="Q" three_letter="Gln" full_name="Glutamine" mono_mass="128.058578" - avge_mass="128.1292"> - <umod:element symbol="H" number="8"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="2"/> - </umod:aa> - <umod:aa title="G" three_letter="Gly" full_name="Glycine" mono_mass="57.021464" - avge_mass="57.0513"> - <umod:element symbol="H" number="3"/> - <umod:element symbol="C" number="2"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:aa> - <umod:aa title="H" three_letter="His" full_name="Histidine" mono_mass="137.058912" - avge_mass="137.1393"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="3"/> - <umod:element symbol="O" number="1"/> - </umod:aa> - <umod:aa title="I" three_letter="Ile" full_name="Isoleucine" mono_mass="113.084064" - avge_mass="113.1576"> - <umod:element symbol="H" number="11"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:aa> - <umod:aa title="L" three_letter="Leu" full_name="Leucine" mono_mass="113.084064" - avge_mass="113.1576"> - <umod:element symbol="H" number="11"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:aa> - <umod:aa title="K" three_letter="Lys" full_name="Lysine" mono_mass="128.094963" - avge_mass="128.1723"> - <umod:element symbol="H" number="12"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:aa> - <umod:aa title="M" three_letter="Met" full_name="Methionine" mono_mass="131.040485" - avge_mass="131.1961"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - <umod:element symbol="S" number="1"/> - </umod:aa> - <umod:aa title="F" three_letter="Phe" full_name="Phenylalanine" mono_mass="147.068414" - avge_mass="147.1739"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:aa> - <umod:aa title="P" three_letter="Pro" full_name="Proline" mono_mass="97.052764" - avge_mass="97.1152"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:aa> - <umod:aa title="S" three_letter="Ser" full_name="Serine" mono_mass="87.032028" - avge_mass="87.0773"> - <umod:element symbol="H" number="5"/> - <umod:element symbol="C" number="3"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - </umod:aa> - <umod:aa title="T" three_letter="Thr" full_name="Threonine" mono_mass="101.047679" - avge_mass="101.1039"> - <umod:element symbol="H" number="7"/> - <umod:element symbol="C" number="4"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - </umod:aa> - <umod:aa title="W" three_letter="Trp" full_name="Tryptophan" mono_mass="186.079313" - avge_mass="186.2099"> - <umod:element symbol="H" number="10"/> - <umod:element symbol="C" number="11"/> - <umod:element symbol="N" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:aa> - <umod:aa title="Y" three_letter="Tyr" full_name="Tyrosine" mono_mass="163.063329" - avge_mass="163.1733"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="9"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="2"/> - </umod:aa> - <umod:aa title="V" three_letter="Val" full_name="Valine" mono_mass="99.068414" - avge_mass="99.1311"> - <umod:element symbol="H" number="9"/> - <umod:element symbol="C" number="5"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:aa> - <umod:aa title="N-term" three_letter="N-term" full_name="N-term" mono_mass="1.007825" - avge_mass="1.0079"> - <umod:element symbol="H" number="1"/> - </umod:aa> - <umod:aa title="C-term" three_letter="C-term" full_name="C-term" mono_mass="17.00274" - avge_mass="17.0073"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="O" number="1"/> - </umod:aa> - </umod:amino_acids> - <umod:mod_bricks> - <umod:brick title="-" full_name="" mono_mass="0" avge_mass="0"/> - <umod:brick title="H" full_name="Hydrogen" mono_mass="1.007825035" avge_mass="1.00794"> - <umod:element symbol="H" number="1"/> - </umod:brick> - <umod:brick title="C" full_name="Carbon" mono_mass="12" avge_mass="12.0107"> - <umod:element symbol="C" number="1"/> - </umod:brick> - <umod:brick title="N" full_name="Nitrogen" mono_mass="14.003074" avge_mass="14.0067"> - <umod:element symbol="N" number="1"/> - </umod:brick> - <umod:brick title="O" full_name="Oxygen" mono_mass="15.99491463" avge_mass="15.9994"> - <umod:element symbol="O" number="1"/> - </umod:brick> - <umod:brick title="P" full_name="Phosphorous" mono_mass="30.973762" avge_mass="30.973761"> - <umod:element symbol="P" number="1"/> - </umod:brick> - <umod:brick title="S" full_name="Sulphur" mono_mass="31.9720707" avge_mass="32.065"> - <umod:element symbol="S" number="1"/> - </umod:brick> - <umod:brick title="2H" full_name="Deuterium" mono_mass="2.014101779" - avge_mass="2.014101779"> - <umod:element symbol="2H" number="1"/> - </umod:brick> - <umod:brick title="18O" full_name="Oxygen 18" mono_mass="17.9991603" avge_mass="17.9991603"> - <umod:element symbol="18O" number="1"/> - </umod:brick> - <umod:brick title="F" full_name="Fluorine" mono_mass="18.99840322" avge_mass="18.9984032"> - <umod:element symbol="F" number="1"/> - </umod:brick> - <umod:brick title="Na" full_name="Sodium" mono_mass="22.9897677" avge_mass="22.98977"> - <umod:element symbol="Na" number="1"/> - </umod:brick> - <umod:brick title="Se" full_name="Selenium" mono_mass="79.9165196" avge_mass="78.96"> - <umod:element symbol="Se" number="1"/> - </umod:brick> - <umod:brick title="Hex" full_name="Hexose" mono_mass="162.0528235" avge_mass="162.1406"> - <umod:element symbol="H" number="10"/> - <umod:element symbol="C" number="6"/> - <umod:element symbol="O" number="5"/> - </umod:brick> - <umod:brick title="HexNAc" full_name="N-Acetyl Hexosamine" mono_mass="203.079372605" - avge_mass="203.19252"> - <umod:element symbol="C" number="8"/> - <umod:element symbol="H" number="13"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="5"/> - </umod:brick> - <umod:brick title="Ac" full_name="Acetate" mono_mass="42.0105647" avge_mass="42.03668"> - <umod:element symbol="C" number="2"/> - <umod:element symbol="H" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:brick> - <umod:brick title="dHex" full_name="Deoxy-hexose" mono_mass="146.05790887" - avge_mass="146.1412"> - <umod:element symbol="C" number="6"/> - <umod:element symbol="H" number="10"/> - <umod:element symbol="O" number="4"/> - </umod:brick> - <umod:brick title="HexA" full_name="Hexosamine" mono_mass="176.03208806" - avge_mass="176.12412"> - <umod:element symbol="C" number="6"/> - <umod:element symbol="H" number="8"/> - <umod:element symbol="O" number="6"/> - </umod:brick> - <umod:brick title="Kdn" full_name="3-deoxy-d-glycero-D-galacto-nonulosonic acid" - mono_mass="250.06886753" - avge_mass="250.20265999999998"> - <umod:element symbol="C" number="9"/> - <umod:element symbol="H" number="14"/> - <umod:element symbol="O" number="8"/> - </umod:brick> - <umod:brick title="Kdo" full_name="2-keto-3-deoxyoctulosonic acid" mono_mass="220.05830283" - avge_mass="220.17668"> - <umod:element symbol="C" number="8"/> - <umod:element symbol="H" number="12"/> - <umod:element symbol="O" number="7"/> - </umod:brick> - <umod:brick title="Me" full_name="Methyl" mono_mass="14.01565007" avge_mass="14.02658"> - <umod:element symbol="C" number="1"/> - <umod:element symbol="H" number="2"/> - </umod:brick> - <umod:brick title="NeuAc" full_name="N-acetyl neuraminic acid" mono_mass="291.095416635" - avge_mass="291.25458000000003"> - <umod:element symbol="C" number="11"/> - <umod:element symbol="H" number="17"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="8"/> - </umod:brick> - <umod:brick title="NeuGc" full_name="N-glycoyl neuraminic acid" - mono_mass="307.09033126500003" - avge_mass="307.25398"> - <umod:element symbol="C" number="11"/> - <umod:element symbol="H" number="17"/> - <umod:element symbol="N" number="1"/> - <umod:element symbol="O" number="9"/> - </umod:brick> - <umod:brick title="Water" full_name="Water" mono_mass="18.0105647" avge_mass="18.01528"> - <umod:element symbol="H" number="2"/> - <umod:element symbol="O" number="1"/> - </umod:brick> - <umod:brick title="Phos" full_name="Phosphate" mono_mass="79.96633092500001" - avge_mass="79.979901"> - <umod:element symbol="H" number="1"/> - <umod:element symbol="P" number="1"/> - <umod:element symbol="O" number="3"/> - </umod:brick> - <umod:brick title="Sulf" full_name="Sulfate" mono_mass="79.95681459000001" - avge_mass="80.0632"> - <umod:element symbol="S" number="1"/> - <umod:element symbol="O" number="3"/> - </umod:brick> - <umod:brick title="Pent" full_name="Pentose" mono_mass="132.0422588" avge_mass="132.11462"> - <umod:element symbol="C" number="5"/> - <umod:element symbol="H" number="8"/> - <umod:element symbol="O" number="4"/> - </umod:brick> - <umod:brick title="Li" full_name="Lithium" mono_mass="7.016003" avge_mass="6.941"> - <umod:element symbol="Li" number="1"/> - </umod:brick> - <umod:brick title="13C" full_name="Carbon 13" mono_mass="13.00335483" - avge_mass="13.00335483"> - <umod:element symbol="13C" number="1"/> - </umod:brick> - <umod:brick title="15N" full_name="Nitrogen 15" mono_mass="15.00010897" - avge_mass="15.00010897"> - <umod:element symbol="15N" number="1"/> - </umod:brick> - <umod:brick title="Cl" full_name="Chlorine" mono_mass="34.96885272" avge_mass="35.453"> - <umod:element symbol="Cl" number="1"/> - </umod:brick> - <umod:brick title="K" full_name="Potassium" mono_mass="38.9637074" avge_mass="39.0983"> - <umod:element symbol="K" number="1"/> - </umod:brick> - <umod:brick title="Ca" full_name="Calcium" mono_mass="39.9625906" avge_mass="40.078"> - <umod:element symbol="Ca" number="1"/> - </umod:brick> - <umod:brick title="Fe" full_name="Iron" mono_mass="55.9349393" avge_mass="55.845"> - <umod:element symbol="Fe" number="1"/> - </umod:brick> - <umod:brick title="Ni" full_name="Nickel" mono_mass="57.9353462" avge_mass="58.6934"> - <umod:element symbol="Ni" number="1"/> - </umod:brick> - <umod:brick title="Zn" full_name="Zinc" mono_mass="63.9291448" avge_mass="65.409"> - <umod:element symbol="Zn" number="1"/> - </umod:brick> - <umod:brick title="Br" full_name="Bromine" mono_mass="78.9183361" avge_mass="79.904"> - <umod:element symbol="Br" number="1"/> - </umod:brick> - <umod:brick title="Ag" full_name="Silver" mono_mass="106.905092" avge_mass="107.8682"> - <umod:element symbol="Ag" number="1"/> - </umod:brick> - <umod:brick title="Hg" full_name="Mercury" mono_mass="201.970617" avge_mass="200.59"> - <umod:element symbol="Hg" number="1"/> - </umod:brick> - <umod:brick title="Au" full_name="Gold" mono_mass="196.966543" avge_mass="196.96655"> - <umod:element symbol="Au" number="1"/> - </umod:brick> - <umod:brick title="I" full_name="Iodine" mono_mass="126.904473" avge_mass="126.90447"> - <umod:element symbol="I" number="1"/> - </umod:brick> - <umod:brick title="Mo" full_name="Molybdenum" mono_mass="97.9054073" avge_mass="95.94"> - <umod:element symbol="Mo" number="1"/> - </umod:brick> - <umod:brick title="Cu" full_name="Copper" mono_mass="62.9295989" avge_mass="63.546"> - <umod:element symbol="Cu" number="1"/> - </umod:brick> - <umod:brick title="Hep" full_name="Heptose" mono_mass="192.06338820000002" - avge_mass="192.16658"> - <umod:element symbol="C" number="7"/> - <umod:element symbol="H" number="12"/> - <umod:element symbol="O" number="6"/> - </umod:brick> - <umod:brick title="B" full_name="Boron" mono_mass="11.0093055" avge_mass="10.811"> - <umod:element symbol="B" number="1"/> - </umod:brick> - <umod:brick title="As" full_name="Arsenic" mono_mass="74.9215942" avge_mass="74.9215942"> - <umod:element symbol="As" number="1"/> - </umod:brick> - </umod:mod_bricks> -</umod:unimod> \ No newline at end of file
--- a/update.sh Fri May 10 17:22:51 2013 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,35 +0,0 @@ -#!/bin/bash - -LICENSE_FILE=LICENSE -# Ensure repository contains license file. -if [ ! -e "$LICENSE_FILE" ]; -then - wget http://www.apache.org/licenses/LICENSE-2.0.txt -O "$LICENSE_FILE" -fi - -# Run repository specific update actions. -if [ -f update_repo.sh ]; -then - ./update_repo.sh -fi - -wget https://raw.github.com/gist/3749747/README_GALAXYP.md -O README_GALAXYP.md - -# Create repository README -if [ ! -e README_REPO.md ]; -then - echo "TODO: Document this tool repository." > README_REPO.md -fi -cat README_REPO.md README_GALAXYP.md > README.md - - -# If version file exists, update all tools to this version -VERSION_FILE=version -if [ -e "$VERSION_FILE" ]; -then - VERSION=`cat $VERSION_FILE` - - # Replace tool version in each tool XML file ` - find -iname "*xml" -exec sed -i'' -e '0,/version="\(.\+\)"/s/version="\(.\+\)"/version="'$VERSION'"/1g' {} \; - -fi