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view CADDSuite/data/fragments/LEU.db @ 7:5b29b679ee6d

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Uploaded Version 0.95
author marcel
date Tue, 12 Jul 2011 10:29:49 -0400
parents bac3c274238f
children
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<node>LEU
	<node>Names
		<node>Leucine</node>
		<node>Leucin</node>
		<node>Leu</node>
		<node>L</node>
	</node>
	<node>Atoms
		<node>N<value>N -0.003476313 1.235853 0.02699674</value></node>
		<node>3H<value>H 0.7720473 1.82942 0.3005252</value></node>
		<node>CA<value>C -0.6514053 1.883178 -1.129898</value></node>
		<node>HA<value>H -0.07017973 1.598957 -2.006831</value></node>
		<node>C<value>C -0.5708863 3.410168 -0.9936234</value></node>
		<node>O<value>O 0.1419036 3.827524 -0.05211589</value></node>
		<node>CB<value>C -2.091007 1.359104 -1.274005</value></node>
		<node>1HB<value>H -2.046227 0.2694775 -1.310338</value></node>
		<node>2HB<value>H -2.646399 1.642544 -0.3785246</value></node>
		<node>CG<value>C -2.872831 1.847369 -2.507179</value></node>
		<node>HG<value>H -3.019899 2.926006 -2.455012</value></node>
		<node>CD1<value>C -2.162796 1.498542 -3.821336</value></node>
		<node>1HD1<value>H -2.800384 1.766798 -4.664294</value></node>
		<node>2HD1<value>H -1.228827 2.051352 -3.913459</value></node>
		<node>3HD1<value>H -1.954294 0.4288859 -3.861405</value></node>
		<node>CD2<value>C -4.261661 1.198464 -2.502073</value></node>
		<node>1HD2<value>H -4.845348 1.564912 -3.347144</value></node>
		<node>2HD2<value>H -4.171115 0.1141629 -2.575422</value></node>
		<node>3HD2<value>H -4.785489 1.451318 -1.579679</value></node>
		<node>OXT<value>O -0.8228753 4.072413 -2.02374</value></node>
		<node>1H<value>H -0.6580312 1.186075 0.7945588</value></node>
		<node>2H<value>H 0.3136166 0.3082535 -0.2161924</value></node>
	</node>
  <node>Bonds
    <node>5<value>3H N s</value></node>
    <node>6<value>CA N s</value></node>
    <node>10<value>HA CA s</value></node>
    <node>11<value>C CA s</value></node>
    <node>14<value>O C d</value></node>
    <node>15<value>CB CA s</value></node>
    <node>19<value>1HB CB s</value></node>
    <node>20<value>2HB CB s</value></node>
    <node>21<value>CG CB s</value></node>
    <node>25<value>HG CG s</value></node>
    <node>26<value>CD1 CG s</value></node>
    <node>30<value>1HD1 CD1 s</value></node>
    <node>31<value>2HD1 CD1 s</value></node>
    <node>32<value>3HD1 CD1 s</value></node>
    <node>33<value>CD2 CG s</value></node>
    <node>37<value>1HD2 CD2 s</value></node>
    <node>38<value>2HD2 CD2 s</value></node>
    <node>39<value>3HD2 CD2 s</value></node>
    <node>40<value>OXT C s</value></node>
    <node>41<value>1H N s</value></node>
    <node>42<value>2H N s</value></node>
  </node>
	<node>Connections
		<node>N-term<value>N C-term s 1.33 0.5</value></node>
		<node>C-term<value>C N-term s 1.33 0.5</value></node>
	</node>
	<node>Properties
		<node>AMINO_ACID</node>
	</node>
	<node>Variants
		<node>Default
			<node>Delete
				<node>OXT</node>
				<node>1H</node>
				<node>2H</node>
			</node>
			<node>Rename
				<node>3H<value>H</value></node>
			</node>
		</node>
		<node>LEU-M
			<node>Properties
				<node>C_TERMINAL</node>
				<node>N_TERMINAL</node>
			</node>
		</node>
		<node>LEU-C
			<node>Delete
				<node>1H</node>
				<node>2H</node>
			</node>
			<node>Rename
				<node>3H<value>H</value></node>
			</node>
			<node>Properties
				<node>C_TERMINAL</node>
			</node>
		</node>
		<node>LEU-N
			<node>Delete
				<node>OXT</node>
			</node>
			<node>Properties
				<node>N_TERMINAL</node>
			</node>
		</node>
	</node>
</node>