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annotate CADDSuite-1.5/data/fragments/HIS.db @ 15:ac342506cd4e draft

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CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:08:49 -0400
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1 <node>HIS
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2 <node>Names
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3 <node>Histidine</node>
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4 <node>Histidin</node>
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5 <node>His</node>
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6 <node>H</node>
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7 </node>
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8 <node>Atoms
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9 <node>N<value>N 0.2528806 1.616447 -0.2212145</value></node>
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10 <node>3H<value>H 0.7991534 2.328624 0.245802</value></node>
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11 <node>CA<value>C -0.9251888 2.215651 -0.8776516</value></node>
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12 <node>HA<value>H -0.5465931 2.966134 -1.573552</value></node>
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13 <node>C<value>C -1.833067 2.919479 0.1419996</value></node>
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14 <node>O<value>O -2.654072 3.735267 -0.3389743</value></node>
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15 <node>CB<value>C -1.677425 1.144471 -1.688265</value></node>
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16 <node>1HB<value>H -0.9314069 0.53022 -2.195623</value></node>
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17 <node>2HB<value>H -2.228334 0.4977131 -1.00345</value></node>
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18 <node>CG<value>C -2.625881 1.668474 -2.74672</value></node>
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19 <node>ND1<value>N -3.385668 2.821612 -2.671887</value></node>
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20 <node>HD1<value>H -3.38348 3.467654 -1.88095</value></node>
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21 <node>CD2<value>C -2.893428 1.068907 -3.947961</value></node>
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22 <node>HD2<value>H -2.46763 0.1453506 -4.317409</value></node>
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23 <node>CE1<value>C -4.09971 2.924621 -3.807559</value></node>
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24 <node>HE1<value>H -4.788648 3.724259 -4.045286</value></node>
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25 <node>NE2<value>N -3.815619 1.869323 -4.597533</value></node>
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26 <node>HE2<value>H -4.210977 1.69118 -5.511979</value></node>
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27 <node>1H<value>H -0.05550323 0.9331897 0.4557269</value></node>
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28 <node>2H<value>H 0.827899 1.162407 -0.9164186</value></node>
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29 <node>OXT<value>O -1.921441 2.400639 1.276749</value></node>
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30 </node>
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31 <node>Bonds
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32 <node>5<value>3H N s</value></node>
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33 <node>6<value>CA N s</value></node>
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34 <node>10<value>HA CA s</value></node>
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35 <node>11<value>C CA s</value></node>
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36 <node>14<value>O C d</value></node>
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37 <node>15<value>CB CA s</value></node>
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38 <node>19<value>1HB CB s</value></node>
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39 <node>20<value>2HB CB s</value></node>
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40 <node>21<value>CG CB s</value></node>
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41 <node>24<value>ND1 CG a</value></node>
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42 <node>27<value>HD1 ND1 s</value></node>
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43 <node>28<value>CD2 CG a</value></node>
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44 <node>31<value>HD2 CD2 s</value></node>
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45 <node>32<value>CE1 ND1 a</value></node>
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46 <node>35<value>HE1 CE1 s</value></node>
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47 <node>36<value>NE2 CE1 a</value></node>
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48 <node>37<value>NE2 CD2 a</value></node>
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49 <node>39<value>HE2 NE2 s</value></node>
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50 <node>40<value>1H N s</value></node>
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51 <node>41<value>2H N s</value></node>
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52 <node>42<value>OXT C s</value></node>
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53 </node>
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54 <node>Connections
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55 <node>N-term<value>N C-term s 1.33 0.5</value></node>
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56 <node>C-term<value>C N-term s 1.33 0.5</value></node>
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57 </node>
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58 <node>Properties
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59 <node>AMINO_ACID</node>
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60 </node>
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61 <node>Variants
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62 <node>Default
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63 <node>Delete
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64 <node>OXT</node>
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65 <node>1H</node>
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66 <node>2H</node>
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67 </node>
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68 <node>Rename
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69 <node>3H<value>H</value></node>
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70 </node>
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71 </node>
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72 <node>HIS-M
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73 <node>Properties
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74 <node>C_TERMINAL</node>
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75 <node>N_TERMINAL</node>
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76 </node>
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77 </node>
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78 <node>HIS-C
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79 <node>Delete
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80 <node>1H</node>
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81 <node>2H</node>
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82 </node>
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83 <node>Rename
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84 <node>3H<value>H</value></node>
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85 </node>
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86 <node>Properties
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87 <node>C_TERMINAL</node>
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88 </node>
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89 </node>
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90 <node>HIS-N
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91 <node>Delete
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92 <node>OXT</node>
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93 </node>
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94 <node>Properties
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95 <node>N_TERMINAL</node>
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96 </node>
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97 </node>
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98 </node>
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99 </node>