Mercurial > repos > marcel > caddsuite_mac10_6

annotate CADDSuite-1.1/data/fragments/ARG.db @ 6:decca54699e3

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Uploaded Version 1.1
author marcel
date Thu, 12 Jan 2012 11:07:03 -0500
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6
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1 <node>ARG
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2 <node>Names
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3 <node>Arginine</node>
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4 <node>Arginin</node>
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5 <node>Arg</node>
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6 <node>R</node>
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7 </node>
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8 <node>Atoms
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9 <node>N<value>N 0.04658213 1.228698 -0.008203848</value></node>
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10 <node>3H<value>H 1.029144 1.468065 -0.01885969</value></node>
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11 <node>CA<value>C -0.651675 1.900984 -1.120636</value></node>
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12 <node>HA<value>H -0.1560273 1.589999 -2.041618</value></node>
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13 <node>C<value>C -0.5384113 3.425156 -1.007164</value></node>
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14 <node>O<value>O -0.4560871 4.056512 -2.083366</value></node>
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15 <node>CB<value>C -2.115081 1.438444 -1.186192</value></node>
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16 <node>1HB<value>H -2.126043 0.3475202 -1.20068</value></node>
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17 <node>2HB<value>H -2.643967 1.778842 -0.2945162</value></node>
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18 <node>CG<value>C -2.829752 1.953359 -2.443151</value></node>
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19 <node>1HG<value>H -2.889884 3.042607 -2.412891</value></node>
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20 <node>2HG<value>H -2.25911 1.654155 -3.324525</value></node>
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21 <node>CD<value>C -4.246704 1.376451 -2.533151</value></node>
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22 <node>1HD<value>H -4.174877 0.2870844 -2.574071</value></node>
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23 <node>2HD<value>H -4.797596 1.672022 -1.637285</value></node>
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24 <node>NE<value>N -4.940577 1.875193 -3.731703</value></node>
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25 <node>HE<value>H -4.414851 2.512341 -4.314554</value></node>
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26 <node>CZ<value>C -6.193176 1.546153 -4.088384</value></node>
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27 <node>NH1<value>N -6.900425 0.7030471 -3.327994</value></node>
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28 <node>1HH1<value>H -6.480561 0.3232263 -2.492691</value></node>
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29 <node>2HH1<value>H -7.843661 0.4323652 -3.563007</value></node>
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30 <node>NH2<value>N -6.730267 2.060851 -5.200565</value></node>
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31 <node>1HH2<value>H -6.201764 2.698435 -5.778988</value></node>
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32 <node>2HH2<value>H -7.669785 1.826959 -5.486362</value></node>
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33 <node>OXT<value>O -0.796168 3.930999 0.1074273</value></node>
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34 <node>1H<value>H -0.3621705 1.521632 0.867786</value></node>
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35 <node>2H<value>H -0.05222332 0.2284002 -0.1067282</value></node>
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36 </node>
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37 <node>Bonds
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38 <node>5<value>3H N s</value></node>
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39 <node>6<value>CA N s</value></node>
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40 <node>10<value>HA CA s</value></node>
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41 <node>11<value>C CA s</value></node>
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42 <node>14<value>O C d</value></node>
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43 <node>15<value>CB CA s</value></node>
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44 <node>19<value>1HB CB s</value></node>
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45 <node>20<value>2HB CB s</value></node>
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46 <node>21<value>CG CB s</value></node>
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47 <node>25<value>1HG CG s</value></node>
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48 <node>26<value>2HG CG s</value></node>
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49 <node>27<value>CD CG s</value></node>
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50 <node>31<value>1HD CD s</value></node>
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51 <node>32<value>2HD CD s</value></node>
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52 <node>33<value>NE CD s</value></node>
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53 <node>36<value>HE NE s</value></node>
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54 <node>37<value>CZ NE s</value></node>
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55 <node>40<value>NH1 CZ a</value></node>
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56 <node>43<value>1HH1 NH1 s</value></node>
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57 <node>44<value>2HH1 NH1 s</value></node>
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58 <node>45<value>NH2 CZ a</value></node>
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59 <node>48<value>1HH2 NH2 s</value></node>
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60 <node>49<value>2HH2 NH2 s</value></node>
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61 <node>50<value>OXT C s</value></node>
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62 <node>51<value>1H N s</value></node>
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63 <node>52<value>2H N s</value></node>
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64 </node>
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65 <node>Connections
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66 <node>N-term<value>N C-term s 1.33 0.5</value></node>
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67 <node>C-term<value>C N-term s 1.33 0.5</value></node>
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68 </node>
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69 <node>Properties
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70 <node>AMINO_ACID</node>
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71 </node>
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72 <node>Variants
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73 <node>Default
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74 <node>Delete
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75 <node>OXT</node>
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76 <node>1H</node>
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77 <node>2H</node>
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78 </node>
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79 <node>Rename
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80 <node>3H<value>H</value></node>
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81 </node>
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82 </node>
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83 <node>ARG-M
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84 <node>Properties
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85 <node>C_TERMINAL</node>
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86 <node>N_TERMINAL</node>
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87 </node>
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88 </node>
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89 <node>ARG-C
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90 <node>Delete
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91 <node>1H</node>
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92 <node>2H</node>
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93 </node>
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94 <node>Rename
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95 <node>3H<value>H</value></node>
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96 </node>
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97 <node>Properties
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98 <node>C_TERMINAL</node>
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99 </node>
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100 </node>
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101 <node>ARG-N
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102 <node>Delete
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103 <node>OXT</node>
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104 </node>
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105 <node>Properties
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106 <node>N_TERMINAL</node>
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107 </node>
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108 </node>
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109 </node>
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110 </node>