Mercurial > repos > marcel > caddsuite_mac10_6

annotate CADDSuite/data/fragments/GLY.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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1 <node>GLY
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2 <node>Names
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3 <node>Glycine</node>
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4 <node>Glycin</node>
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5 <node>Gly</node>
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6 <node>G</node>
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7 </node>
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8 <node>Atoms
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9 <node>N<value>N 0.09000722 1.216287 -0.1108443</value></node>
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10 <node>3H<value>H 0.8807056 1.803007 0.1270226</value></node>
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11 <node>CA<value>C -0.6332095 1.869306 -1.215941</value></node>
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12 <node>1HA<value>H -0.02850649 1.801736 -2.120623</value></node>
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13 <node>2HA<value>H -1.579168 1.352425 -1.380715</value></node>
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14 <node>C<value>C -0.8818576 3.344497 -0.910938</value></node>
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15 <node>O<value>O 0.06351577 3.962237 -0.3713815</value></node>
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16 <node>1H<value>H -0.5183882 1.138782 0.691625</value></node>
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17 <node>2H<value>H 0.4027565 0.2984461 -0.3934918</value></node>
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18 <node>OXT<value>O -1.901015 3.866009 -1.413833</value></node>
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19 </node>
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20 <node>Bonds
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21 <node>5<value>3H N s</value></node>
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22 <node>6<value>CA N s</value></node>
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23 <node>10<value>1HA CA s</value></node>
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24 <node>11<value>2HA CA s</value></node>
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25 <node>12<value>C CA s</value></node>
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26 <node>15<value>O C d</value></node>
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27 <node>16<value>1H N s</value></node>
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28 <node>17<value>2H N s</value></node>
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29 <node>18<value>OXT C s</value></node>
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30 </node>
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31 <node>Connections
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32 <node>N-term<value>N C-term s 1.33 0.5</value></node>
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33 <node>C-term<value>C N-term s 1.33 0.5</value></node>
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34 </node>
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35 <node>Properties
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36 <node>AMINO_ACID</node>
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37 </node>
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38 <node>Variants
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39 <node>Default
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40 <node>Delete
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41 <node>OXT</node>
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42 <node>1H</node>
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43 <node>2H</node>
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44 </node>
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45 <node>Rename
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46 <node>3H<value>H</value></node>
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47 </node>
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48 </node>
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49 <node>GLY-M
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50 <node>Properties
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51 <node>C_TERMINAL</node>
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52 <node>N_TERMINAL</node>
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53 </node>
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54 </node>
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55 <node>GLY-C
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56 <node>Delete
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57 <node>1H</node>
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58 <node>2H</node>
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59 </node>
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60 <node>Rename
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61 <node>3H<value>H</value></node>
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62 </node>
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63 <node>Properties
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64 <node>C_TERMINAL</node>
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65 </node>
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66 </node>
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67 <node>GLY-N
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68 <node>Delete
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69 <node>OXT</node>
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70 </node>
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71 <node>Properties
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72 <node>N_TERMINAL</node>
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73 </node>
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74 </node>
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75 </node>
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76 </node>