## Mercurial > repos > marcel > caddsuite_mac10_6

### annotate CADDSuite/data/fragments/LYS.db @ 3:bb26168c5715

Find changesets by keywords (author, files, the commit message), revision
number or hash, or revset expression.

Uploaded

author | marcel |
---|---|

date | Tue, 12 Jul 2011 10:53:07 -0400 |

parents | 8ce0411aaeb3 |

children |

rev | line source |
---|---|

0 | 1 <node>LYS |

2 <node>Names | |

3 <node>Lysine</node> | |

4 <node>Lysin</node> | |

5 <node>Lys</node> | |

6 <node>K</node> | |

7 </node> | |

8 <node>Atoms | |

9 <node>N<value>N 0.03796386 1.172592 -0.009692425</value></node> | |

10 <node>3H<value>H 1.016744 1.426445 0.004398665</value></node> | |

11 <node>CA<value>C -0.6562778 1.887361 -1.097957</value></node> | |

12 <node>HA<value>H -0.1455905 1.623495 -2.025311</value></node> | |

13 <node>C<value>C -0.5601511 3.406333 -0.9147748</value></node> | |

14 <node>O<value>O -0.5440148 4.087965 -1.963232</value></node> | |

15 <node>CB<value>C -2.114089 1.411355 -1.200695</value></node> | |

16 <node>1HB<value>H -2.113627 0.3206328 -1.233166</value></node> | |

17 <node>2HB<value>H -2.662723 1.730462 -0.3130743</value></node> | |

18 <node>CG<value>C -2.816849 1.934443 -2.461919</value></node> | |

19 <node>1HG<value>H -2.878444 3.023734 -2.425601</value></node> | |

20 <node>2HG<value>H -2.232982 1.645706 -3.338356</value></node> | |

21 <node>CD<value>C -4.230651 1.346997 -2.563318</value></node> | |

22 <node>1HD<value>H -4.153291 0.2577495 -2.598617</value></node> | |

23 <node>2HD<value>H -4.790445 1.632903 -1.669734</value></node> | |

24 <node>CE<value>C -4.93697 1.869824 -3.82334</value></node> | |

25 <node>1HE<value>H -4.991973 2.959915 -3.77821</value></node> | |

26 <node>2HE<value>H -4.353527 1.590667 -4.70365</value></node> | |

27 <node>NZ<value>N -6.304516 1.325968 -3.962642</value></node> | |

28 <node>1HZ<value>H -6.733165 1.692468 -4.802127</value></node> | |

29 <node>2HZ<value>H -6.276195 0.31765 -4.027733</value></node> | |

30 <node>3HZ<value>H -6.870414 1.591293 -3.16824</value></node> | |

31 <node>1H<value>H -0.3857403 1.416816 0.8740513</value></node> | |

32 <node>2H<value>H -0.04427324 0.17682 -0.1571643</value></node> | |

33 <node>OXT<value>O -0.7869474 3.85405 0.2308864</value></node> | |

34 </node> | |

35 <node>Bonds | |

36 <node>5<value>3H N s</value></node> | |

37 <node>6<value>CA N s</value></node> | |

38 <node>10<value>HA CA s</value></node> | |

39 <node>11<value>C CA s</value></node> | |

40 <node>14<value>O C d</value></node> | |

41 <node>15<value>CB CA s</value></node> | |

42 <node>19<value>1HB CB s</value></node> | |

43 <node>20<value>2HB CB s</value></node> | |

44 <node>21<value>CG CB s</value></node> | |

45 <node>25<value>1HG CG s</value></node> | |

46 <node>26<value>2HG CG s</value></node> | |

47 <node>27<value>CD CG s</value></node> | |

48 <node>31<value>1HD CD s</value></node> | |

49 <node>32<value>2HD CD s</value></node> | |

50 <node>33<value>CE CD s</value></node> | |

51 <node>37<value>1HE CE s</value></node> | |

52 <node>38<value>2HE CE s</value></node> | |

53 <node>39<value>NZ CE s</value></node> | |

54 <node>43<value>1HZ NZ s</value></node> | |

55 <node>44<value>2HZ NZ s</value></node> | |

56 <node>45<value>3HZ NZ s</value></node> | |

57 <node>46<value>1H N s</value></node> | |

58 <node>47<value>2H N s</value></node> | |

59 <node>48<value>OXT C s</value></node> | |

60 </node> | |

61 <node>Connections | |

62 <node>N-term<value>N C-term s 1.33 0.5</value></node> | |

63 <node>C-term<value>C N-term s 1.33 0.5</value></node> | |

64 </node> | |

65 <node>Properties | |

66 <node>AMINO_ACID</node> | |

67 </node> | |

68 <node>Variants | |

69 <node>Default | |

70 <node>Delete | |

71 <node>OXT</node> | |

72 <node>1H</node> | |

73 <node>2H</node> | |

74 </node> | |

75 <node>Rename | |

76 <node>3H<value>H</value></node> | |

77 </node> | |

78 </node> | |

79 <node>LYS-M | |

80 <node>Properties | |

81 <node>C_TERMINAL</node> | |

82 <node>N_TERMINAL</node> | |

83 </node> | |

84 </node> | |

85 <node>LYS-C | |

86 <node>Delete | |

87 <node>1H</node> | |

88 <node>2H</node> | |

89 </node> | |

90 <node>Rename | |

91 <node>3H<value>H</value></node> | |

92 </node> | |

93 <node>Properties | |

94 <node>C_TERMINAL</node> | |

95 </node> | |

96 </node> | |

97 <node>LYS-N | |

98 <node>Delete | |

99 <node>OXT</node> | |

100 </node> | |

101 <node>Properties | |

102 <node>N_TERMINAL</node> | |

103 </node> | |

104 </node> | |

105 </node> | |

106 </node> |