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view CADDSuite/data/fragments/HIS.db @ 0:8ce0411aaeb3

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Uploaded CADDSuite version 0.94
author marcel
date Sun, 26 Jun 2011 14:01:09 -0400
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<node>HIS
	<node>Names
		<node>Histidine</node>
		<node>Histidin</node>
		<node>His</node>
		<node>H</node>
	</node>
	<node>Atoms
		<node>N<value>N 0.2528806 1.616447 -0.2212145</value></node>
		<node>3H<value>H 0.7991534 2.328624 0.245802</value></node>
		<node>CA<value>C -0.9251888 2.215651 -0.8776516</value></node>
		<node>HA<value>H -0.5465931 2.966134 -1.573552</value></node>
		<node>C<value>C -1.833067 2.919479 0.1419996</value></node>
		<node>O<value>O -2.654072 3.735267 -0.3389743</value></node>
		<node>CB<value>C -1.677425 1.144471 -1.688265</value></node>
		<node>1HB<value>H -0.9314069 0.53022 -2.195623</value></node>
		<node>2HB<value>H -2.228334 0.4977131 -1.00345</value></node>
		<node>CG<value>C -2.625881 1.668474 -2.74672</value></node>
		<node>ND1<value>N -3.385668 2.821612 -2.671887</value></node>
		<node>HD1<value>H -3.38348 3.467654 -1.88095</value></node>
		<node>CD2<value>C -2.893428 1.068907 -3.947961</value></node>
		<node>HD2<value>H -2.46763 0.1453506 -4.317409</value></node>
		<node>CE1<value>C -4.09971 2.924621 -3.807559</value></node>
		<node>HE1<value>H -4.788648 3.724259 -4.045286</value></node>
		<node>NE2<value>N -3.815619 1.869323 -4.597533</value></node>
		<node>HE2<value>H -4.210977 1.69118 -5.511979</value></node>
		<node>1H<value>H -0.05550323 0.9331897 0.4557269</value></node>
		<node>2H<value>H 0.827899 1.162407 -0.9164186</value></node>
		<node>OXT<value>O -1.921441 2.400639 1.276749</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>24<value>ND1 CG a</value></node>
		<node>27<value>HD1 ND1 s</value></node>
		<node>28<value>CD2 CG a</value></node>
		<node>31<value>HD2 CD2 s</value></node>
		<node>32<value>CE1 ND1 a</value></node>
		<node>35<value>HE1 CE1 s</value></node>
		<node>36<value>NE2 CE1 a</value></node>
		<node>37<value>NE2 CD2 a</value></node>
		<node>39<value>HE2 NE2 s</value></node>
		<node>40<value>1H N s</value></node>
		<node>41<value>2H N s</value></node>
		<node>42<value>OXT C 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>HIS-M
			<node>Properties
				<node>C_TERMINAL</node>
				<node>N_TERMINAL</node>
			</node>
		</node>
		<node>HIS-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>HIS-N
			<node>Delete
				<node>OXT</node>
			</node>
			<node>Properties
				<node>N_TERMINAL</node>
			</node>
		</node>
	</node>
</node>