diff CADDSuite/data/fragments/GLN.db @ 7:5b29b679ee6d

Uploaded Version 0.95

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite/data/fragments/GLN.db	Tue Jul 12 10:29:49 2011 -0400
@@ -0,0 +1,96 @@
+<node>GLN
+	<node>Names
+		<node>Glutamine</node> 
+		<node>Glutamin</node>
+		<node>Gln</node>
+		<node>Q</node>
+	</node>
+	<node>Atoms
+		<node>N<value>N -1.694353 -0.2940789 3.487573</value></node>
+		<node>3H<value>H -1.993324 -0.7771879 2.60663</value></node>
+		<node>CA<value>C -1.339968 1.106833 3.061471</value></node>
+		<node>HA<value>H -2.035373 1.840381 3.535663</value></node>
+		<node>C<value>C -1.613526 1.110178 1.459362</value></node>
+		<node>O<value>O -1.452083 2.138383 0.8146671</value></node>
+		<node>CB<value>C 0.1053884 1.466314 3.38408</value></node>
+		<node>2HB<value>H 0.4078564 1.068117 4.376333</value></node>
+		<node>1HB<value>H 0.7844938 0.9955081 2.644168</value></node>
+		<node>CG<value>C 0.2953307 2.976142 3.377398</value></node>
+		<node>2HG<value>H -0.08479181 3.405704 2.425381</value></node>
+		<node>1HG<value>H -0.3113416 3.443596 4.179154</value></node>
+		<node>CD<value>C 1.757013 3.318817 3.588054</value></node>
+		<node>OE1<value>O 2.263759 3.493683 4.689262</value></node>
+		<node>NE2<value>N 2.607646 3.349533 2.459146</value></node>
+		<node>2HE2<value>H 3.553186 3.659591 2.602335</value></node>
+		<node>1HE2<value>H 2.182977 3.3032491 1.543895</value></node>
+		<node>OXT<value>O -2.00241 -0.02523248 1.056456</value></node>
+		<node>2H<value>H -2.440811 -0.2844597 4.149324</value></node>
+		<node>1H<value>H -0.9086809 -0.7656706 3.887856</value></node>
+	</node>
+	<node>Bonds
+		<node>1<value>3H N s</value></node>
+		<node>2<value>CA N s</value></node>
+		<node>3<value>HA CA s</value></node>
+		<node>4<value>C CA s</value></node>
+		<node>5<value>O C d</value></node>
+		<node>6<value>CB CA s</value></node>
+		<node>7<value>2HB CB s</value></node>
+		<node>8<value>1HB CB s</value></node>
+		<node>9<value>CG CB s</value></node>
+		<node>10<value>2HG CG s</value></node>
+		<node>11<value>1HG CG s</value></node>
+		<node>12<value>CD CG s</value></node>
+		<node>13<value>OE1 CD d</value></node>
+		<node>14<value>NE2 CD s</value></node>
+		<node>15<value>2HE2 NE2 s</value></node>
+		<node>16<value>1HE2 NE2 s</value></node>
+		<node>17<value>OXT C s</value></node>
+		<node>18<value>2H N s</value></node>
+		<node>19<value>1H 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>GLN-M
+			<node>Properties
+				<node>C_TERMINAL</node>
+				<node>N_TERMINAL</node>
+			</node>
+		</node>
+		<node>GLN-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>GLN-N
+			<node>Delete
+				<node>OXT</node>
+			</node>
+			<node>Properties
+				<node>N_TERMINAL</node>
+			</node>
+		</node>
+	</node>
+</node>