Mercurial > repos > marcel > caddsuite_mac10_6
comparison CADDSuite-1.0.1/data/fragments/VAL.db @ 5:e30a41af9d2b
Uploaded
| author | marcel |
|---|---|
| date | Tue, 15 Nov 2011 10:53:16 -0500 |
| parents | |
| children |
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| 4:af446ca2d5c6 | 5:e30a41af9d2b |
|---|---|
| 1 <node>VAL | |
| 2 <node>Names | |
| 3 <node>Valine</node> | |
| 4 <node>Valin</node> | |
| 5 <node>Val</node> | |
| 6 <node>V</node> | |
| 7 </node> | |
| 8 <node>Atoms | |
| 9 <node>N<value>N 0.08111785 1.2013 -0.133711</value></node> | |
| 10 <node>3H<value>H 0.9032491 1.762717 0.06032801</value></node> | |
| 11 <node>CA<value>C -0.698245 1.931722 -1.152099</value></node> | |
| 12 <node>HA<value>H -0.2125321 1.7346 -2.108571</value></node> | |
| 13 <node>C<value>C -0.5967644 3.443358 -0.9052255</value></node> | |
| 14 <node>O<value>O 0.3370198 3.799585 -0.1501447</value></node> | |
| 15 <node>CB<value>C -2.141793 1.389981 -1.219405</value></node> | |
| 16 <node>HB<value>H -2.073082 0.3006792 -1.23859</value></node> | |
| 17 <node>CG1<value>C -2.976131 1.780723 0.008393872</value></node> | |
| 18 <node>1HG1<value>H -3.953726 1.301327 -0.05053521</value></node> | |
| 19 <node>2HG1<value>H -2.483032 1.448739 0.9220271</value></node> | |
| 20 <node>3HG1<value>H -3.118463 2.860577 0.05077193</value></node> | |
| 21 <node>CG2<value>C -2.878923 1.800528 -2.501579</value></node> | |
| 22 <node>1HG2<value>H -3.809818 1.237256 -2.575363</value></node> | |
| 23 <node>2HG2<value>H -3.122159 2.862025 -2.496346</value></node> | |
| 24 <node>3HG2<value>H -2.266089 1.572718 -3.374182</value></node> | |
| 25 <node>OXT<value>O -1.142181 4.189281 -1.746952</value></node> | |
| 26 <node>1H<value>H -0.4588342 1.115157 0.7148547</value></node> | |
| 27 <node>2H<value>H 0.3376986 0.2854735 -0.4735033</value></node> | |
| 28 </node> | |
| 29 <node>Bonds | |
| 30 <node>5<value>3H N s</value></node> | |
| 31 <node>6<value>CA N s</value></node> | |
| 32 <node>10<value>HA CA s</value></node> | |
| 33 <node>11<value>C CA s</value></node> | |
| 34 <node>14<value>O C d</value></node> | |
| 35 <node>15<value>CB CA s</value></node> | |
| 36 <node>19<value>HB CB s</value></node> | |
| 37 <node>20<value>CG1 CB s</value></node> | |
| 38 <node>24<value>1HG1 CG1 s</value></node> | |
| 39 <node>25<value>2HG1 CG1 s</value></node> | |
| 40 <node>26<value>3HG1 CG1 s</value></node> | |
| 41 <node>27<value>CG2 CB s</value></node> | |
| 42 <node>31<value>1HG2 CG2 s</value></node> | |
| 43 <node>32<value>2HG2 CG2 s</value></node> | |
| 44 <node>33<value>3HG2 CG2 s</value></node> | |
| 45 <node>34<value>OXT C s</value></node> | |
| 46 <node>35<value>1H N s</value></node> | |
| 47 <node>36<value>2H N s</value></node> | |
| 48 </node> | |
| 49 <node>Connections | |
| 50 <node>N-term<value>N C-term s 1.33 0.5</value></node> | |
| 51 <node>C-term<value>C N-term s 1.33 0.5</value></node> | |
| 52 </node> | |
| 53 <node>Properties | |
| 54 <node>AMINO_ACID</node> | |
| 55 </node> | |
| 56 <node>Variants | |
| 57 <node>Default | |
| 58 <node>Delete | |
| 59 <node>OXT</node> | |
| 60 <node>1H</node> | |
| 61 <node>2H</node> | |
| 62 </node> | |
| 63 <node>Rename | |
| 64 <node>3H<value>H</value></node> | |
| 65 </node> | |
| 66 </node> | |
| 67 <node>VAL-M | |
| 68 <node>Properties | |
| 69 <node>N_TERMINAL</node> | |
| 70 <node>C_TERMINAL</node> | |
| 71 </node> | |
| 72 </node> | |
| 73 <node>VAL-C | |
| 74 <node>Delete | |
| 75 <node>1H</node> | |
| 76 <node>2H</node> | |
| 77 </node> | |
| 78 <node>Rename | |
| 79 <node>3H<value>H</value></node> | |
| 80 </node> | |
| 81 <node>Properties | |
| 82 <node>C_TERMINAL</node> | |
| 83 </node> | |
| 84 </node> | |
| 85 <node>VAL-N | |
| 86 <node>Delete | |
| 87 <node>OXT</node> | |
| 88 </node> | |
| 89 <node>Properties | |
| 90 <node>N_TERMINAL</node> | |
| 91 </node> | |
| 92 </node> | |
| 93 </node> | |
| 94 </node> |