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view CADDSuite/data/fragments/ASN.db @ 0:bac3c274238f

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Migrated tool version 0.93 from old tool shed archive to new tool shed repository
author marcel
date Tue, 07 Jun 2011 16:43:30 -0400
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<node>ASN
	<node>Names
		<node>Asparagine</node>
		<node>Asparagin</node>
		<node>Asn</node>
		<node>N</node>
	</node>
	<node>Atoms
		<node>N<value>N -0.01239826 1.297873 -0.0455736</value></node>
		<node>3H<value>H 0.8807231 1.768826 0.03701005</value></node>
		<node>CA<value>C -0.7474616 1.91653 -1.164926</value></node>
		<node>HA<value>H -0.1937652 1.691628 -2.077897</value></node>
		<node>C<value>C -0.757567 3.441771 -1.010304</value></node>
		<node>O<value>O 0.3769885 3.962902 -0.9276295</value></node>
		<node>CB<value>C -2.149851 1.302218 -1.30196</value></node>
		<node>1HB<value>H -2.042859 0.2235991 -1.423685</value></node>
		<node>2HB<value>H -2.723301 1.490943 -0.3934487</value></node>
		<node>CG<value>C -2.91901 1.84635 -2.50453</value></node>
		<node>OD1<value>O -2.442698 2.721974 -3.218464</value></node>
		<node>ND2<value>N -4.125435 1.339006 -2.736042</value></node>
		<node>1HD2<value>H -4.50376 0.6180301 -2.140929</value></node>
		<node>2HD2<value>H -4.647904 1.686222 -3.525954</value></node>
		<node>1H<value>H -0.5352049 1.417775 0.8102037</value></node>
		<node>2H<value>H 0.1272759 0.3139404 -0.2256562</value></node>
		<node>OXT<value>O -1.806735 3.963976 -0.572751</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>OD1 CG d</value></node>
		<node>25<value>ND2 CG s</value></node>
		<node>28<value>1HD2 ND2 s</value></node>
		<node>29<value>2HD2 ND2 s</value></node>
		<node>30<value>1H N s</value></node>
		<node>31<value>2H N s</value></node>
		<node>32<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>ASN-M
			<node>Properties
				<node>C_TERMINAL</node>
				<node>N_TERMINAL</node>
			</node>
		</node>
		<node>ASN-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>ASN-N
			<node>Delete
				<node>OXT</node>
			</node>
			<node>Properties
				<node>N_TERMINAL</node>
			</node>
		</node>
	</node>
</node>