NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
529132 |
2lkl   |
16911 | cing | 1-original | 8 | XPLOR/CNS | distance | NOE | simple |
! pck2xplr.nawk Table; Input File: n15noesy.PCK ! Date: Mon May 4 18:58:32 BST 2009 ! Path: /home/bioc0673/NMR_data/VARC/Structure/analysis/noe ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A n15noesy.PCK 638 190 227 168 53 ! Total 638 190 227 168 53 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! G1 ! P2 assign (resid 2 and name HA ) (resid 3 and name HN ) 4.0 2.2 1.0 ! A.152 at 7.46e+07 ! L3 assign (resid 3 and name HG ) (resid 3 and name HN ) 4.0 2.2 1.0 ! A.161 at 6.89e+07 assign (resid 3 and name HA ) (resid 4 and name HN ) 4.0 2.2 2.0 ! A.162 at 2.80e+07 ! G4 ! S5 ! M6 ! N7 assign (resid 7 and name HA ) (resid 8 and name HN ) 2.5 0.7 0.4 ! A.173 at 3.87e+08 ! K8 assign (resid 8 and name HG2 ) (resid 8 and name HN ) 3.0 1.2 0.5 ! A.176 at 1.17e+08 assign (resid 8 and name HA ) (resid 9 and name HN ) 3.0 1.2 0.5 ! A.24 at 2.47e+08 assign (resid 8 and name HG1 ) (resid 9 and name HN ) 4.0 2.2 2.0 ! A.21 at 3.36e+07 assign (resid 8 and name HE# ) (resid 58 and name HE ) 4.0 2.2 2.0 ! A.805 at 2.45e+07 ! F9 assign (resid 9 and name HB1 ) (resid 9 and name HN ) 4.0 2.2 1.0 ! A.23 at 6.16e+07 assign (resid 9 and name HD# ) (resid 9 and name HN ) 4.0 2.2 1.0 ! A.19 at 5.61e+07 assign (resid 9 and name HB2 ) (resid 9 and name HN ) 3.0 1.2 0.5 ! A.22 at 1.27e+08 assign (resid 9 and name HA ) (resid 10 and name HN ) 2.5 0.7 0.4 ! A.6 at 4.07e+08 assign (resid 9 and name HB1 ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.10 at 1.00e+08 assign (resid 9 and name HB2 ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.11 at 7.21e+07 assign (resid 9 and name HD# ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.14 at 5.18e+07 assign (resid 9 and name HN ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.178 at 3.97e+07 assign (resid 9 and name HB1 ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.1014 at 3.92e+07 assign (resid 9 and name HB2 ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.63 at 7.40e+07 assign (resid 9 and name HA ) (resid 14 and name HN ) 4.0 2.2 2.0 ! A.66 at 2.21e+07 assign (resid 9 and name HB1 ) (resid 58 and name HE ) 4.0 2.2 2.0 ! A.813 at 1.44e+07 assign (resid 9 and name HN ) (resid 58 and name HE ) 4.0 2.2 2.0 ! A.812 at 8.92e+06 assign (resid 63 and name HN ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.527 at 3.64e+07 ! T10 assign (resid 10 and name HG2# ) (resid 10 and name HN ) 2.5 0.7 0.9 ! A.1 at 2.97e+08 assign (resid 10 and name HB ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.7 at 5.86e+07 assign (resid 10 and name HG2# ) (resid 11 and name HN ) 4.0 2.2 1.5 ! A.27 at 5.85e+07 assign (resid 10 and name HB ) (resid 11 and name HN ) 3.0 1.2 0.5 ! A.31 at 1.35e+08 assign (resid 10 and name HB ) (resid 12 and name HN ) 2.5 0.7 0.4 ! A.37 at 2.08e+08 assign (resid 10 and name HN ) (resid 12 and name HN ) 4.0 2.2 2.0 ! A.179 at 2.14e+07 assign (resid 10 and name HG2# ) (resid 13 and name HN ) 4.0 2.2 1.5 ! A.197 at 6.65e+07 assign (resid 10 and name HB ) (resid 13 and name HN ) 3.0 1.2 0.5 ! A.194 at 1.09e+08 assign (resid 10 and name HN ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.42 at 7.25e+07 assign (resid 10 and name HN ) (resid 13 and name HB2 ) 3.0 1.2 0.5 ! A.3 at 1.87e+08 assign (resid 10 and name HN ) (resid 13 and name HB1 ) 3.0 1.2 0.5 ! A.2 at 1.07e+08 assign (resid 10 and name HN ) (resid 13 and name HG2 ) 4.0 2.2 1.0 ! A.4 at 7.29e+07 assign (resid 10 and name HN ) (resid 13 and name HA ) 4.0 2.2 2.0 ! A.9 at 2.81e+07 assign (resid 10 and name HG2# ) (resid 14 and name HN ) 4.0 2.2 2.5 ! A.59 at 1.94e+07 assign (resid 10 and name HN ) (resid 14 and name HB2 ) 4.0 2.2 2.0 ! A.12 at 1.78e+07 ! D11 assign (resid 11 and name HB2 ) (resid 11 and name HN ) 3.0 1.2 0.5 ! A.29 at 1.31e+08 assign (resid 11 and name HN ) (resid 12 and name HN ) 4.0 2.2 1.0 ! A.33 at 6.43e+07 assign (resid 11 and name HN ) (resid 13 and name HN ) 4.0 2.2 2.0 ! A.184 at 9.52e+06 ! D12 assign (resid 12 and name HB# ) (resid 12 and name HN ) 2.5 0.7 0.4 ! A.754 at 5.39e+08 assign (resid 12 and name HB2 ) (resid 13 and name HN ) 2.5 0.7 0.4 ! A.1016 at 3.09e+08 assign (resid 12 and name HN ) (resid 13 and name HN ) 3.0 1.2 0.5 ! A.44 at 1.64e+08 assign (resid 12 and name HA ) (resid 13 and name HN ) 3.0 1.2 0.5 ! A.757 at 2.66e+08 assign (resid 12 and name HA ) (resid 15 and name HN ) 3.0 1.2 0.5 ! A.79 at 1.67e+08 assign (resid 12 and name HA ) (resid 15 and name HD22 ) 4.0 2.2 1.0 ! A.846 at 6.57e+07 assign (resid 12 and name HA ) (resid 15 and name HD21 ) 4.0 2.2 1.0 ! A.848 at 7.92e+07 assign (resid 12 and name HA ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.99 at 8.45e+07 assign (resid 12 and name HN ) (resid 16 and name HE22 ) 4.0 2.2 2.0 ! A.989 at 2.44e+07 ! E13 assign (resid 13 and name HB1 ) (resid 13 and name HN ) 3.0 1.2 0.5 ! A.51 at 1.72e+08 assign (resid 13 and name HB2 ) (resid 13 and name HN ) 2.5 0.7 0.4 ! A.52 at 3.35e+08 assign (resid 13 and name HA ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.64 at 7.31e+07 assign (resid 13 and name HB1 ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.60 at 8.58e+07 assign (resid 13 and name HB2 ) (resid 14 and name HN ) 3.0 1.2 0.5 ! A.61 at 1.21e+08 assign (resid 13 and name HN ) (resid 14 and name HN ) 3.0 1.2 0.5 ! A.55 at 1.65e+08 assign (resid 13 and name HN ) (resid 14 and name HB1 ) 4.0 2.2 1.0 ! A.1013 at 4.06e+07 assign (resid 13 and name HN ) (resid 14 and name HB2 ) 4.0 2.2 1.0 ! A.196 at 3.61e+07 assign (resid 13 and name HB2 ) (resid 15 and name HN ) 4.0 2.2 1.0 ! A.84 at 4.07e+07 ! W14 assign (resid 14 and name HE3 ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.57 at 3.69e+07 assign (resid 14 and name HB1 ) (resid 14 and name HN ) 2.5 0.7 0.4 ! A.62 at 2.21e+08 assign (resid 14 and name HB2 ) (resid 14 and name HN ) 2.5 0.7 0.4 ! A.201 at 2.19e+08 assign (resid 14 and name HD1 ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.56 at 5.82e+07 assign (resid 14 and name HB1 ) (resid 14 and name HE1 ) 4.0 2.2 2.0 ! A.717 at 1.94e+07 assign (resid 14 and name HN ) (resid 15 and name HN ) 3.0 1.2 0.5 ! A.53 at 1.73e+08 assign (resid 14 and name HD1 ) (resid 15 and name HN ) 4.0 2.2 1.0 ! A.70 at 4.68e+07 assign (resid 14 and name HB2 ) (resid 15 and name HN ) 3.0 1.2 0.5 ! A.203 at 1.25e+08 assign (resid 14 and name HB1 ) (resid 15 and name HN ) 3.0 1.2 0.5 ! A.81 at 1.49e+08 assign (resid 14 and name HN ) (resid 16 and name HN ) 4.0 2.2 2.0 ! A.88 at 3.30e+07 assign (resid 14 and name HB1 ) (resid 16 and name HN ) 4.0 2.2 2.0 ! A.97 at 2.95e+07 assign (resid 14 and name HA ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.102 at 6.44e+07 assign (resid 14 and name HN ) (resid 17 and name HD2# ) 4.0 2.2 2.5 ! A.200 at 1.39e+07 assign (resid 14 and name HN ) (resid 17 and name HB2) 4.0 2.2 2.0 ! A.67 at 1.97e+07 assign (resid 14 and name HA ) (resid 18 and name HN ) 4.0 2.2 2.0 ! A.116 at 2.58e+07 assign (resid 14 and name HE1 ) (resid 18 and name HG# ) 4.0 2.2 2.0 ! A.713 at 3.28e+07 assign (resid 14 and name HE1 ) (resid 18 and name HD# ) 4.0 2.2 1.0 ! A.716 at 8.98e+07 assign (resid 14 and name HE1 ) (resid 18 and name HE1 ) 4.0 2.2 1.0 ! A.718 at 4.33e+07 assign (resid 14 and name HE1 ) (resid 18 and name HE2 ) 4.0 2.2 1.0 ! A.719 at 5.89e+07 assign (resid 14 and name HE1 ) (resid 51 and name HA ) 4.0 2.2 2.0 ! A.722 at 1.77e+07 assign (resid 14 and name HE1 ) (resid 54 and name HA ) 4.0 2.2 2.0 ! A.731 at 7.23e+06 assign (resid 14 and name HE1 ) (resid 54 and name HB2 ) 4.0 2.2 1.0 ! A.769 at 6.18e+07 assign (resid 14 and name HE1 ) (resid 54 and name HD2# ) 4.0 2.2 2.5 ! A.714 at 1.42e+07 assign (resid 14 and name HZ2 ) (resid 55 and name HN ) 4.0 2.2 2.0 ! A.438 at 1.92e+07 assign (resid 14 and name HE1 ) (resid 55 and name HN ) 4.0 2.2 2.0 ! A.917 at 8.25e+06 assign (resid 14 and name HE1 ) (resid 55 and name HA ) 4.0 2.2 1.0 ! A.730 at 5.74e+07 assign (resid 14 and name HB2 ) (resid 58 and name HE ) 4.0 2.2 2.0 ! A.814 at 1.43e+07 assign (resid 14 and name HE1 ) (resid 58 and name HB1 ) 4.0 2.2 1.0 ! A.755 at 3.48e+07 assign (resid 14 and name HE1 ) (resid 58 and name HG2 ) 4.0 2.2 2.0 ! A.721 at 9.67e+06 assign (resid 14 and name HE1 ) (resid 58 and name HB2 ) 4.0 2.2 1.0 ! A.775 at 5.30e+07 assign (resid 14 and name HZ3 ) (resid 61 and name HN ) 4.0 2.2 2.0 ! A.525 at 1.61e+07 ! N15 assign (resid 15 and name HD22 ) (resid 15 and name HN ) 4.0 2.2 2.0 ! A.69 at 3.31e+07 assign (resid 15 and name HB1 ) (resid 15 and name HN ) 3.0 1.2 0.5 ! A.83 at 2.00e+08 assign (resid 15 and name HB2 ) (resid 15 and name HN ) 2.5 0.7 0.4 ! A.82 at 2.91e+08 assign (resid 15 and name HA ) (resid 15 and name HD21 ) 4.0 2.2 2.0 ! A.849 at 2.24e+07 assign (resid 15 and name HB2 ) (resid 15 and name HD21 ) 3.0 1.2 0.5 ! A.842 at 1.24e+08 assign (resid 15 and name HN ) (resid 15 and name HD21 ) 4.0 2.2 2.0 ! A.851 at 2.61e+07 assign (resid 15 and name HB1 ) (resid 15 and name HD22 ) 4.0 2.2 1.0 ! A.843 at 1.03e+08 assign (resid 15 and name HB1 ) (resid 15 and name HD21 ) 3.0 1.2 0.5 ! A.841 at 1.25e+08 assign (resid 15 and name HB2 ) (resid 15 and name HD22 ) 4.0 2.2 1.0 ! A.844 at 9.74e+07 assign (resid 15 and name HA ) (resid 15 and name HD22 ) 4.0 2.2 2.0 ! A.845 at 1.77e+07 assign (resid 15 and name HN ) (resid 16 and name HN ) 3.0 1.2 0.5 ! A.87 at 1.76e+08 assign (resid 15 and name HB1 ) (resid 16 and name HN ) 3.0 1.2 0.5 ! A.95 at 1.41e+08 assign (resid 15 and name HB2 ) (resid 16 and name HN ) 3.0 1.2 0.5 ! A.96 at 1.57e+08 assign (resid 15 and name HN ) (resid 16 and name HB# ) 4.0 2.2 1.0 ! A.86 at 4.35e+07 assign (resid 15 and name HN ) (resid 17 and name HN ) 4.0 2.2 2.0 ! A.101 at 2.19e+07 !assign (resid 15 and name HN ) (resid 17 and name HG ) 4.0 2.2 2.0 ! A.933 at 1.22e+07 assign (resid 15 and name HN ) (resid 17 and name HD2# ) 4.0 2.2 2.5 ! A.75 at 9.34e+06 assign (resid 15 and name HN ) (resid 18 and name HD# ) 4.0 2.2 2.0 ! A.205 at 2.71e+07 assign (resid 15 and name HN ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.202 at 5.54e+07 assign (resid 15 and name HN ) (resid 18 and name HE2 ) 4.0 2.2 1.0 ! A.85 at 4.07e+07 assign (resid 15 and name HN ) (resid 18 and name HG# ) 4.0 2.2 2.0 ! A.74 at 9.27e+06 assign (resid 15 and name HA ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.115 at 7.01e+07 assign (resid 15 and name HA ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.943 at 5.40e+07 assign (resid 15 and name HB1 ) (resid 19 and name HE22 ) 4.0 2.2 2.0 ! A.864 at 1.62e+07 ! Q16 assign (resid 16 and name HB# ) (resid 16 and name HN ) 2.5 0.7 0.4 ! A.89 at 5.75e+08 assign (resid 16 and name HG# ) (resid 16 and name HN ) 3.0 1.2 0.5 ! A.90 at 1.89e+08 assign (resid 16 and name HA ) (resid 16 and name HE22 ) 4.0 2.2 2.0 ! A.837 at 2.93e+07 assign (resid 16 and name HB# ) (resid 16 and name HE22 ) 4.0 2.2 1.0 ! A.832 at 6.77e+07 assign (resid 16 and name HG# ) (resid 16 and name HE22 ) 3.0 1.2 0.5 ! A.833 at 1.86e+08 assign (resid 16 and name HB# ) (resid 16 and name HE21 ) 4.0 2.2 1.0 ! A.834 at 7.97e+07 assign (resid 16 and name HG# ) (resid 16 and name HE21 ) 2.5 0.7 0.4 ! A.835 at 2.99e+08 assign (resid 16 and name HA ) (resid 16 and name HE21 ) 4.0 2.2 1.0 ! A.836 at 3.67e+07 assign (resid 16 and name HG# ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.209 at 6.56e+07 assign (resid 16 and name HB# ) (resid 17 and name HN ) 2.5 0.7 0.4 ! A.110 at 2.08e+08 assign (resid 16 and name HN ) (resid 17 and name HB2) 4.0 2.2 1.0 ! A.94 at 5.64e+07 ! L17 assign (resid 17 and name HB1 ) (resid 17 and name HN ) 3.0 1.2 0.5 ! A.108 at 1.83e+08 assign (resid 17 and name HB2) (resid 17 and name HN ) 2.5 0.7 0.4 ! A.109 at 2.77e+08 assign (resid 17 and name HD2# ) (resid 17 and name HN ) 4.0 2.2 1.5 ! A.107 at 7.33e+07 assign (resid 17 and name HN ) (resid 18 and name HN ) 2.5 0.7 0.4 ! A.100 at 2.10e+08 assign (resid 17 and name HN ) (resid 18 and name HA ) 4.0 2.2 2.0 ! A.104 at 2.31e+07 assign (resid 17 and name HN ) (resid 18 and name HG# ) 4.0 2.2 2.0 ! A.106 at 2.31e+07 assign (resid 17 and name HB1 ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.120 at 9.98e+07 assign (resid 17 and name HD1# ) (resid 18 and name HN ) 4.0 2.2 1.5 ! A.124 at 3.79e+07 assign (resid 17 and name HB2) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.121 at 8.72e+07 assign (resid 17 and name HB1 ) (resid 19 and name HN ) 4.0 2.2 2.0 ! A.138 at 2.55e+07 assign (resid 17 and name HN ) (resid 20 and name HB2 ) 4.0 2.2 2.0 ! A.105 at 3.19e+07 assign (resid 17 and name HA ) (resid 20 and name HN ) 4.0 2.2 1.0 ! A.211 at 9.59e+07 assign (resid 17 and name HD1# ) (resid 20 and name HN ) 4.0 2.2 2.5 ! A.1005 at 2.46e+07 assign (resid 17 and name HD1# ) (resid 21 and name HN ) 4.0 2.2 1.5 ! A.768 at 4.17e+07 ! K18 assign (resid 18 and name HE1 ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.114 at 3.67e+07 assign (resid 18 and name HG# ) (resid 18 and name HN ) 3.0 1.2 0.5 ! A.118 at 1.38e+08 assign (resid 18 and name HB2 ) (resid 18 and name HN ) 3.0 1.2 0.5 ! A.759 at 1.31e+08 assign (resid 18 and name HB1 ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.119 at 8.32e+07 assign (resid 18 and name HE2 ) (resid 18 and name HN ) 4.0 2.2 2.0 ! A.117 at 3.38e+07 assign (resid 18 and name HN ) (resid 19 and name HN ) 3.0 1.2 0.5 ! A.127 at 1.39e+08 assign (resid 18 and name HA ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.128 at 4.29e+07 assign (resid 18 and name HB1 ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.139 at 6.68e+07 assign (resid 18 and name HB2 ) (resid 19 and name HN ) 3.0 1.2 0.5 ! A.136 at 1.19e+08 assign (resid 18 and name HG# ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.134 at 4.81e+07 assign (resid 18 and name HN ) (resid 19 and name HB# ) 4.0 2.2 1.0 ! A.123 at 4.46e+07 assign (resid 18 and name HA ) (resid 21 and name HN ) 4.0 2.2 1.0 ! A.153 at 5.79e+07 assign (resid 18 and name HN ) (resid 54 and name HD2# ) 4.0 2.2 1.5 ! A.125 at 3.48e+07 ! Q19 assign (resid 19 and name HG# ) (resid 19 and name HN ) 3.0 1.2 0.5 ! A.133 at 1.77e+08 assign (resid 19 and name HB# ) (resid 19 and name HN ) 2.5 0.7 0.4 ! A.135 at 3.89e+08 assign (resid 19 and name HA ) (resid 19 and name HE21 ) 4.0 2.2 1.0 ! A.868 at 4.47e+07 assign (resid 19 and name HG# ) (resid 19 and name HE22 ) 3.0 1.2 0.5 ! A.861 at 1.25e+08 assign (resid 19 and name HG# ) (resid 19 and name HE21 ) 2.5 0.7 0.4 ! A.862 at 2.18e+08 assign (resid 19 and name HB# ) (resid 19 and name HE22 ) 4.0 2.2 2.0 ! A.860 at 3.09e+07 assign (resid 19 and name HB# ) (resid 19 and name HE21 ) 4.0 2.2 1.0 ! A.863 at 3.97e+07 assign (resid 19 and name HA ) (resid 19 and name HE22 ) 4.0 2.2 2.0 ! A.866 at 3.05e+07 assign (resid 19 and name HN ) (resid 20 and name HN ) 3.0 1.2 0.5 ! A.141 at 1.34e+08 assign (resid 19 and name HB# ) (resid 20 and name HN ) 3.0 1.2 0.5 ! A.214 at 1.81e+08 assign (resid 19 and name HN ) (resid 20 and name HA ) 4.0 2.2 2.0 ! A.131 at 1.71e+07 assign (resid 19 and name HN ) (resid 20 and name HB2 ) 4.0 2.2 1.0 ! A.132 at 4.30e+07 assign (resid 19 and name HB# ) (resid 21 and name HN ) 4.0 2.2 2.0 ! A.160 at 2.47e+07 assign (resid 19 and name HN ) (resid 21 and name HN ) 4.0 2.2 2.0 ! A.148 at 2.29e+07 assign (resid 19 and name HA ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.927 at 4.64e+07 assign (resid 19 and name HN ) (resid 22 and name HN ) 4.0 2.2 2.0 ! A.18 at 1.29e+07 assign (resid 19 and name HN ) (resid 22 and name HB ) 4.0 2.2 1.0 ! A.137 at 4.18e+07 assign (resid 19 and name HE22 ) (resid 22 and name HB ) 4.0 2.2 2.0 ! A.859 at 1.86e+07 assign (resid 19 and name HE21 ) (resid 22 and name HG2# ) 4.0 2.2 2.5 ! A.854 at 3.17e+07 assign (resid 19 and name HE22 ) (resid 22 and name HG2# ) 4.0 2.2 1.5 ! A.855 at 3.71e+07 assign (resid 19 and name HE22 ) (resid 22 and name HD1# ) 4.0 2.2 2.5 ! A.852 at 1.80e+07 assign (resid 19 and name HE21 ) (resid 22 and name HB ) 4.0 2.2 2.0 ! A.858 at 2.05e+07 assign (resid 19 and name HE21 ) (resid 22 and name HD1# ) 4.0 2.2 2.5 ! A.853 at 1.70e+07 assign (resid 19 and name HG# ) (resid 23 and name HN ) 4.0 2.2 2.0 ! A.233 at 1.37e+07 assign (resid 19 and name HE22 ) (resid 47 and name HD2# ) 4.0 2.2 2.5 ! A.856 at 2.79e+07 assign (resid 19 and name HE21 ) (resid 47 and name HD2# ) 4.0 2.2 2.5 ! A.857 at 2.67e+07 ! D20 assign (resid 20 and name HB2 ) (resid 20 and name HN ) 3.0 1.2 0.5 ! A.212 at 1.82e+08 assign (resid 20 and name HB1 ) (resid 20 and name HN ) 3.0 1.2 0.5 ! A.213 at 1.26e+08 assign (resid 20 and name HB1 ) (resid 21 and name HN ) 4.0 2.2 1.0 ! A.156 at 7.95e+07 assign (resid 20 and name HN ) (resid 21 and name HN ) 3.0 1.2 0.5 ! A.146 at 1.45e+08 assign (resid 20 and name HN ) (resid 21 and name HD# ) 4.0 2.2 2.0 ! A.142 at 1.39e+07 assign (resid 20 and name HN ) (resid 22 and name HD1# ) 4.0 2.2 2.5 ! A.216 at 1.10e+07 assign (resid 20 and name HA ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.231 at 6.99e+07 assign (resid 20 and name HA ) (resid 24 and name HN ) 4.0 2.2 2.0 ! A.247 at 1.49e+07 ! F21 assign (resid 21 and name HD# ) (resid 21 and name HN ) 4.0 2.2 1.0 ! A.144 at 5.97e+07 assign (resid 21 and name HB2 ) (resid 21 and name HN ) 3.0 1.2 0.5 ! A.154 at 1.88e+08 assign (resid 21 and name HB1 ) (resid 21 and name HN ) 3.0 1.2 0.5 ! A.155 at 1.65e+08 assign (resid 21 and name HN ) (resid 22 and name HD1# ) 4.0 2.2 2.5 ! A.157 at 2.39e+07 assign (resid 21 and name HN ) (resid 22 and name HN ) 3.0 1.2 0.5 ! A.145 at 1.21e+08 assign (resid 21 and name HD# ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.16 at 4.39e+07 assign (resid 21 and name HD# ) (resid 23 and name HN ) 4.0 2.2 2.0 ! A.226 at 1.62e+07 assign (resid 21 and name HB1 ) (resid 24 and name HN ) 4.0 2.2 2.0 ! A.249 at 7.08e+06 assign (resid 21 and name HN ) (resid 24 and name HN ) 4.0 2.2 2.0 ! A.149 at 1.15e+07 assign (resid 21 and name HA ) (resid 25 and name HN ) 4.0 2.2 2.0 ! A.260 at 3.00e+07 assign (resid 21 and name HN ) (resid 50 and name HD1# ) 4.0 2.2 1.5 ! A.764 at 4.57e+07 assign (resid 21 and name HN ) (resid 71 and name HD2# ) 4.0 2.2 1.5 ! A.159 at 9.64e+07 assign (resid 21 and name HE# ) (resid 74 and name HN ) 4.0 2.2 2.0 ! A.625 at 1.27e+07 ! I22 assign (resid 22 and name HB ) (resid 22 and name HN ) 3.0 1.2 0.5 ! A.225 at 1.89e+08 assign (resid 22 and name HD1# ) (resid 22 and name HN ) 4.0 2.2 1.5 ! A.223 at 4.54e+07 assign (resid 22 and name HG12 ) (resid 22 and name HN ) 3.0 1.2 0.5 ! A.224 at 1.07e+08 assign (resid 22 and name HD1# ) (resid 23 and name HN ) 4.0 2.2 2.5 ! A.236 at 2.72e+07 assign (resid 22 and name HN ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.229 at 1.07e+08 assign (resid 22 and name HA ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.232 at 5.51e+07 assign (resid 22 and name HB ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.234 at 1.65e+08 assign (resid 22 and name HG2# ) (resid 23 and name HN ) 3.0 1.2 1.0 ! A.235 at 1.13e+08 assign (resid 22 and name HA ) (resid 24 and name HN ) 4.0 2.2 2.0 ! A.244 at 1.72e+07 assign (resid 22 and name HN ) (resid 24 and name HN ) 4.0 2.2 2.0 ! A.238 at 1.14e+07 assign (resid 22 and name HB ) (resid 24 and name HN ) 4.0 2.2 2.0 ! A.250 at 1.52e+07 assign (resid 22 and name HA ) (resid 25 and name HN ) 4.0 2.2 2.0 ! A.258 at 2.52e+07 ! S23 assign (resid 23 and name HB# ) (resid 23 and name HN ) 2.5 0.7 0.4 ! A.230 at 3.82e+08 assign (resid 23 and name HN ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.237 at 8.56e+07 ! G24 assign (resid 24 and name HN ) (resid 25 and name HB ) 4.0 2.2 2.0 ! A.778 at 1.47e+07 assign (resid 24 and name HN ) (resid 25 and name HD1# ) 4.0 2.2 2.5 ! A.243 at 6.19e+06 assign (resid 24 and name HN ) (resid 25 and name HG1# ) 4.0 2.2 2.0 ! A.239 at 1.79e+07 assign (resid 24 and name HN ) (resid 26 and name HD1# ) 4.0 2.2 2.5 ! A.240 at 1.64e+07 assign (resid 24 and name HN ) (resid 27 and name HB# ) 4.0 2.2 2.0 ! A.248 at 9.12e+06 assign (resid 24 and name HN ) (resid 27 and name HN ) 4.0 2.2 2.0 ! A.950 at 1.96e+07 assign (resid 24 and name HA1 ) (resid 28 and name HD21 ) 4.0 2.2 2.0 ! A.880 at 1.81e+07 assign (resid 24 and name HN ) (resid 71 and name HD1# ) 4.0 2.2 2.5 ! A.241 at 1.30e+07 ! I25 assign (resid 25 and name HD1# ) (resid 25 and name HN ) 4.0 2.2 2.5 ! A.253 at 1.90e+07 assign (resid 25 and name HG1# ) (resid 25 and name HN ) 3.0 1.2 0.5 ! A.254 at 1.40e+08 assign (resid 25 and name HB ) (resid 25 and name HN ) 3.0 1.2 0.5 ! A.255 at 1.01e+08 assign (resid 25 and name HN ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.252 at 9.08e+07 assign (resid 25 and name HN ) (resid 26 and name HG ) 4.0 2.2 2.0 ! A.257 at 3.01e+07 assign (resid 25 and name HN ) (resid 26 and name HD1# ) 4.0 2.2 2.5 ! A.256 at 3.05e+07 assign (resid 25 and name HG2# ) (resid 26 and name HN ) 4.0 2.2 2.5 ! A.174 at 2.75e+07 assign (resid 25 and name HN ) (resid 27 and name HN ) 4.0 2.2 2.0 ! A.949 at 1.91e+07 assign (resid 25 and name HD1# ) (resid 78 and name HE1 ) 4.0 2.2 2.5 ! A.725 at 1.81e+07 assign (resid 25 and name HG2# ) (resid 78 and name HE1 ) 4.0 2.2 2.5 ! A.726 at 1.63e+07 ! L26 assign (resid 26 and name HD1# ) (resid 26 and name HN ) 4.0 2.2 1.5 ! A.175 at 4.64e+07 assign (resid 26 and name HG ) (resid 26 and name HN ) 2.5 0.7 0.4 ! A.177 at 2.86e+08 assign (resid 26 and name HD1# ) (resid 27 and name HN ) 4.0 2.2 2.5 ! A.262 at 1.98e+07 assign (resid 26 and name HG ) (resid 27 and name HN ) 4.0 2.2 1.0 ! A.264 at 5.20e+07 assign (resid 26 and name HB2 ) (resid 27 and name HN ) 4.0 2.2 1.0 ! A.263 at 3.67e+07 assign (resid 26 and name HG ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.944 at 4.53e+07 ! E27 assign (resid 27 and name HB# ) (resid 27 and name HN ) 3.0 1.2 0.5 ! A.265 at 1.45e+08 assign (resid 27 and name HA ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.268 at 6.66e+07 ! N28 assign (resid 28 and name HB# ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.270 at 5.69e+07 assign (resid 28 and name HB# ) (resid 28 and name HD22 ) 4.0 2.2 1.0 ! A.886 at 9.08e+07 assign (resid 28 and name HB# ) (resid 28 and name HD21 ) 3.0 1.2 0.5 ! A.879 at 1.49e+08 assign (resid 28 and name HN ) (resid 29 and name HN ) 4.0 2.2 1.0 ! A.272 at 5.77e+07 assign (resid 28 and name HB# ) (resid 29 and name HN ) 4.0 2.2 1.0 ! A.275 at 9.59e+07 assign (resid 28 and name HD22 ) (resid 30 and name HN ) 4.0 2.2 2.0 ! A.277 at 1.69e+07 assign (resid 28 and name HD21 ) (resid 30 and name HG# ) 4.0 2.2 2.0 ! A.878 at 1.05e+07 assign (resid 28 and name HD22 ) (resid 30 and name HB2 ) 4.0 2.2 2.0 ! A.890 at 1.56e+07 assign (resid 28 and name HD21 ) (resid 30 and name HB2 ) 4.0 2.2 2.0 ! A.889 at 1.57e+07 assign (resid 28 and name HN ) (resid 31 and name HG# ) 4.0 2.2 2.0 ! A.271 at 2.22e+07 ! E29 assign (resid 29 and name HB2 ) (resid 29 and name HN ) 3.0 1.2 0.5 ! A.276 at 1.89e+08 assign (resid 29 and name HB1 ) (resid 30 and name HN ) 2.5 0.7 0.4 ! A.994 at 2.44e+08 ! Q30 assign (resid 30 and name HG# ) (resid 30 and name HN ) 3.0 1.2 0.5 ! A.993 at 1.12e+08 ! K31 assign (resid 31 and name HB# ) (resid 31 and name HN ) 2.5 0.7 0.4 ! A.289 at 2.08e+08 assign (resid 31 and name HG# ) (resid 31 and name HN ) 4.0 2.2 1.0 ! A.288 at 9.31e+07 assign (resid 31 and name HB# ) (resid 32 and name HN ) 3.0 1.2 0.5 ! A.294 at 1.58e+08 assign (resid 31 and name HG# ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.295 at 4.58e+07 assign (resid 31 and name HA ) (resid 32 and name HN ) 3.0 1.2 0.5 ! A.987 at 2.08e+08 assign (resid 31 and name HG# ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.303 at 5.27e+07 assign (resid 31 and name HA ) (resid 34 and name HN ) 3.0 1.2 0.5 ! A.298 at 1.89e+08 assign (resid 31 and name HB# ) (resid 35 and name HN ) 4.0 2.2 2.0 ! A.922 at 2.14e+07 ! D32 assign (resid 32 and name HB# ) (resid 32 and name HN ) 3.0 1.2 0.5 ! A.293 at 1.94e+08 assign (resid 32 and name HA ) (resid 33 and name HN ) 3.0 1.2 0.5 ! A.757 at 2.66e+08 assign (resid 32 and name HN ) (resid 33 and name HN ) 3.0 1.2 0.5 ! A.292 at 1.85e+08 assign (resid 32 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.300 at 4.35e+07 assign (resid 32 and name HA ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.308 at 3.70e+07 assign (resid 32 and name HB# ) (resid 35 and name HN ) 4.0 2.2 2.0 ! A.923 at 1.29e+07 assign (resid 32 and name HA ) (resid 36 and name HN ) 4.0 2.2 1.0 ! A.320 at 3.88e+07 ! L33 assign (resid 33 and name HD2# ) (resid 33 and name HN ) 4.0 2.2 1.5 ! A.49 at 6.51e+07 assign (resid 33 and name HB2 ) (resid 33 and name HN ) 2.5 0.7 0.4 ! A.50 at 2.92e+08 assign (resid 33 and name HB2 ) (resid 34 and name HN ) 3.0 1.2 0.5 ! A.304 at 1.41e+08 assign (resid 33 and name HB2 ) (resid 35 and name HN ) 4.0 2.2 2.0 ! A.313 at 2.35e+07 assign (resid 33 and name HB2 ) (resid 78 and name HE1 ) 4.0 2.2 2.0 ! A.728 at 1.21e+07 assign (resid 33 and name HD2# ) (resid 78 and name HE1 ) 4.0 2.2 2.5 ! A.727 at 1.16e+07 ! V34 assign (resid 34 and name HG1# ) (resid 34 and name HN ) 2.5 0.7 0.9 ! A.302 at 2.64e+08 assign (resid 34 and name HB ) (resid 34 and name HN ) 2.5 0.7 0.4 ! A.305 at 2.52e+08 assign (resid 34 and name HB ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.312 at 8.63e+07 assign (resid 34 and name HG1# ) (resid 35 and name HN ) 4.0 2.2 1.5 ! A.310 at 7.34e+07 assign (resid 34 and name HA ) (resid 35 and name HN ) 3.0 1.2 0.5 ! A.306 at 1.10e+08 assign (resid 34 and name HG2# ) (resid 36 and name HN ) 4.0 2.2 2.5 ! A.321 at 2.49e+07 assign (resid 34 and name HG2# ) (resid 37 and name HN ) 4.0 2.2 1.5 ! A.325 at 5.46e+07 assign (resid 34 and name HG2# ) (resid 45 and name HD22 ) 4.0 2.2 2.5 ! A.873 at 2.74e+07 assign (resid 34 and name HG2# ) (resid 45 and name HD21 ) 4.0 2.2 2.5 ! A.872 at 1.57e+07 ! A35 assign (resid 35 and name HB# ) (resid 35 and name HN ) 2.5 0.7 0.9 ! A.311 at 2.73e+08 ! K36 assign (resid 36 and name HG1 ) (resid 36 and name HN ) 3.0 1.2 0.5 ! A.322 at 1.37e+08 assign (resid 36 and name HB# ) (resid 36 and name HN ) 2.5 0.7 0.4 ! A.323 at 2.06e+08 assign (resid 36 and name HA ) (resid 37 and name HN ) 3.0 1.2 0.5 ! A.327 at 1.35e+08 ! L37 assign (resid 37 and name HB1 ) (resid 37 and name HN ) 2.5 0.7 0.4 ! A.326 at 2.33e+08 assign (resid 37 and name HD2# ) (resid 38 and name HN ) 4.0 2.2 2.5 ! A.330 at 2.25e+07 assign (resid 37 and name HB1 ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.332 at 3.69e+07 assign (resid 37 and name HB2 ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.337 at 3.42e+07 assign (resid 37 and name HG ) (resid 46 and name HE22 ) 4.0 2.2 2.0 ! A.788 at 8.50e+06 assign (resid 37 and name HD2# ) (resid 46 and name HE21 ) 4.0 2.2 2.5 ! A.790 at 2.32e+07 assign (resid 37 and name HD2# ) (resid 46 and name HE22 ) 4.0 2.2 2.5 ! A.792 at 1.87e+07 assign (resid 37 and name HG ) (resid 46 and name HE21 ) 4.0 2.2 2.0 ! A.789 at 1.14e+07 assign (resid 37 and name HD2# ) (resid 49 and name HN ) 4.0 2.2 1.5 ! A.971 at 6.33e+07 assign (resid 37 and name HD2# ) (resid 50 and name HN ) 4.0 2.2 2.5 ! A.1012 at 2.16e+07 ! T38 assign (resid 38 and name HG2# ) (resid 38 and name HN ) 4.0 2.2 1.5 ! A.331 at 4.59e+07 assign (resid 38 and name HN ) (resid 39 and name HB# ) 4.0 2.2 2.0 ! A.339 at 6.62e+06 assign (resid 38 and name HN ) (resid 41 and name HB2 ) 4.0 2.2 2.0 ! A.338 at 7.45e+06 ! N39 assign (resid 39 and name HB# ) (resid 39 and name HD21 ) 3.0 1.2 0.5 ! A.876 at 1.48e+08 assign (resid 39 and name HA ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.340 at 3.62e+07 ! S40 assign (resid 40 and name HB# ) (resid 40 and name HN ) 4.0 2.2 2.0 ! A.341 at 1.18e+07 assign (resid 40 and name HA ) (resid 41 and name HN ) 3.0 1.2 0.5 ! A.344 at 1.20e+08 assign (resid 40 and name HB# ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.349 at 6.99e+07 ! D41 assign (resid 41 and name HB1 ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.346 at 8.18e+07 assign (resid 41 and name HB2 ) (resid 41 and name HN ) 3.0 1.2 0.5 ! A.347 at 1.09e+08 assign (resid 41 and name HN ) (resid 42 and name HG# ) 4.0 2.2 2.0 ! A.348 at 1.42e+07 assign (resid 41 and name HB2 ) (resid 43 and name HN ) 4.0 2.2 2.0 ! A.359 at 2.71e+07 assign (resid 41 and name HB1 ) (resid 43 and name HN ) 4.0 2.2 2.0 ! A.358 at 3.30e+07 ! P42 assign (resid 42 and name HB1 ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.360 at 4.21e+07 assign (resid 42 and name HB2 ) (resid 43 and name HN ) 2.5 0.7 0.4 ! A.355 at 2.01e+08 assign (resid 42 and name HD2 ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.356 at 3.93e+07 assign (resid 42 and name HA ) (resid 43 and name HN ) 3.0 1.2 0.5 ! A.351 at 1.57e+08 ! I43 assign (resid 43 and name HG12 ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.353 at 5.50e+07 assign (resid 43 and name HG11 ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.354 at 5.02e+07 assign (resid 43 and name HG2# ) (resid 43 and name HN ) 4.0 2.2 1.5 ! A.352 at 7.74e+07 assign (resid 43 and name HG2# ) (resid 44 and name HN ) 4.0 2.2 1.5 ! A.287 at 8.39e+07 assign (resid 43 and name HA ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.366 at 3.56e+07 ! M44 assign (resid 44 and name HG2 ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.291 at 8.91e+07 assign (resid 44 and name HB# ) (resid 44 and name HN ) 2.5 0.7 0.4 ! A.290 at 2.84e+08 assign (resid 44 and name HB# ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.364 at 7.96e+07 assign (resid 44 and name HA ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.361 at 1.19e+08 assign (resid 44 and name HB# ) (resid 45 and name HD22 ) 4.0 2.2 2.0 ! A.874 at 2.69e+07 assign (resid 44 and name HB# ) (resid 45 and name HD21 ) 4.0 2.2 2.0 ! A.875 at 1.43e+07 assign (resid 44 and name HG# ) (resid 47 and name HN ) 3.0 1.2 0.5 ! A.281 at 1.08e+08 ! N45 assign (resid 45 and name HB# ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.363 at 1.21e+08 assign (resid 45 and name HD22 ) (resid 45 and name HN ) 4.0 2.2 2.0 ! A.988 at 8.14e+06 assign (resid 45 and name HB# ) (resid 45 and name HD22 ) 3.0 1.2 0.5 ! A.871 at 1.53e+08 assign (resid 45 and name HB# ) (resid 45 and name HD21 ) 3.0 1.2 0.5 ! A.870 at 1.47e+08 assign (resid 45 and name HB# ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.1000 at 3.46e+07 assign (resid 45 and name HA ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.996 at 9.00e+07 assign (resid 45 and name HA ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.369 at 1.55e+08 assign (resid 45 and name HN ) (resid 47 and name HD2# ) 4.0 2.2 2.5 ! A.365 at 2.35e+07 ! Q46 assign (resid 46 and name HG# ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.999 at 4.46e+07 assign (resid 46 and name HB# ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.998 at 8.58e+07 assign (resid 46 and name HA ) (resid 46 and name HE21 ) 4.0 2.2 2.0 ! A.799 at 1.38e+07 assign (resid 46 and name HA ) (resid 46 and name HE22 ) 4.0 2.2 2.0 ! A.796 at 1.02e+07 assign (resid 46 and name HB# ) (resid 46 and name HE22 ) 4.0 2.2 2.0 ! A.787 at 1.69e+07 assign (resid 46 and name HG# ) (resid 46 and name HE22 ) 4.0 2.2 1.0 ! A.786 at 4.29e+07 assign (resid 46 and name HG# ) (resid 46 and name HE21 ) 4.0 2.2 1.0 ! A.784 at 8.66e+07 assign (resid 46 and name HB# ) (resid 46 and name HE21 ) 4.0 2.2 2.0 ! A.785 at 2.54e+07 assign (resid 46 and name HN ) (resid 47 and name HD2# ) 4.0 2.2 2.5 ! A.997 at 2.21e+07 assign (resid 46 and name HE21 ) (resid 50 and name HD2# ) 4.0 2.2 2.5 ! A.794 at 1.99e+07 assign (resid 46 and name HE22 ) (resid 50 and name HD2# ) 4.0 2.2 2.5 ! A.791 at 1.60e+07 ! L47 assign (resid 47 and name HD2# ) (resid 47 and name HN ) 3.0 1.2 1.0 ! A.282 at 1.14e+08 assign (resid 47 and name HG ) (resid 47 and name HN ) 2.5 0.7 0.4 ! A.372 at 3.50e+08 assign (resid 47 and name HA ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.981 at 6.65e+07 assign (resid 47 and name HD2# ) (resid 48 and name HN ) 4.0 2.2 2.5 ! A.376 at 2.79e+07 assign (resid 47 and name HB2 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.375 at 7.87e+07 assign (resid 49 and name HB1 ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.1010 at 5.15e+07 ! D48 assign (resid 48 and name HB# ) (resid 48 and name HN ) 3.0 1.2 0.5 ! A.374 at 1.45e+08 assign (resid 48 and name HN ) (resid 49 and name HN ) 3.0 1.2 0.5 ! A.377 at 1.51e+08 assign (resid 48 and name HB# ) (resid 49 and name HN ) 4.0 2.2 1.0 ! A.380 at 7.85e+07 assign (resid 48 and name HN ) (resid 51 and name HD2 ) 4.0 2.2 2.0 ! A.982 at 9.96e+06 assign (resid 48 and name HA ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.388 at 9.74e+07 assign (resid 48 and name HA ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.406 at 3.93e+07 assign (resid 48 and name HB# ) (resid 52 and name HN ) 4.0 2.2 2.0 ! A.744 at 3.08e+07 ! L49 assign (resid 49 and name HN ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.382 at 4.18e+07 assign (resid 49 and name HB1 ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.385 at 6.06e+07 ! L50 assign (resid 50 and name HB1 ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.1011 at 7.14e+07 assign (resid 50 and name HB2 ) (resid 50 and name HN ) 4.0 2.2 2.0 ! A.1009 at 2.92e+07 assign (resid 50 and name HD2# ) (resid 50 and name HN ) 4.0 2.2 2.5 ! A.1007 at 1.76e+07 assign (resid 50 and name HN ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.381 at 6.48e+07 assign (resid 50 and name HD1# ) (resid 51 and name HN ) 4.0 2.2 1.5 ! A.396 at 4.86e+07 assign (resid 50 and name HD2# ) (resid 51 and name HN ) 4.0 2.2 1.5 ! A.395 at 4.86e+07 assign (resid 50 and name HB2 ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.394 at 6.44e+07 assign (resid 50 and name HB1 ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.393 at 1.15e+08 assign (resid 50 and name HA ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.169 at 8.03e+07 ! H51 assign (resid 51 and name HD2 ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.386 at 8.73e+07 assign (resid 51 and name HB1 ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.389 at 2.20e+08 assign (resid 51 and name HB2 ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.390 at 1.80e+08 assign (resid 51 and name HN ) (resid 52 and name HN ) 2.5 0.7 0.4 ! A.387 at 2.28e+08 assign (resid 51 and name HD2 ) (resid 52 and name HN ) 4.0 2.2 2.0 ! A.400 at 1.81e+07 assign (resid 51 and name HB1 ) (resid 52 and name HN ) 3.0 1.2 0.5 ! A.404 at 1.10e+08 assign (resid 51 and name HB2 ) (resid 52 and name HN ) 3.0 1.2 0.5 ! A.408 at 1.02e+08 assign (resid 51 and name HB2 ) (resid 53 and name HN ) 4.0 2.2 2.0 ! A.419 at 1.32e+07 assign (resid 51 and name HN ) (resid 54 and name HD1# ) 4.0 2.2 2.5 ! A.397 at 1.96e+07 ! K52 assign (resid 52 and name HG2 ) (resid 52 and name HN ) 3.0 1.2 0.5 ! A.412 at 1.42e+08 assign (resid 52 and name HG1 ) (resid 52 and name HN ) 3.0 1.2 0.5 ! A.410 at 1.79e+08 assign (resid 52 and name HB# ) (resid 52 and name HN ) 2.5 0.7 0.4 ! A.403 at 3.39e+08 assign (resid 52 and name HD# ) (resid 53 and name HN ) 4.0 2.2 2.0 ! A.422 at 2.78e+07 assign (resid 52 and name HB# ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.416 at 7.49e+07 assign (resid 52 and name HN ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.413 at 9.30e+07 assign (resid 52 and name HN ) (resid 53 and name HB1 ) 4.0 2.2 2.0 ! A.407 at 2.17e+07 assign (resid 52 and name HN ) (resid 54 and name HN ) 4.0 2.2 2.0 ! A.398 at 1.80e+07 assign (resid 52 and name HA ) (resid 55 and name HN ) 4.0 2.2 1.0 ! A.444 at 3.84e+07 ! W53 assign (resid 53 and name HE1 ) (resid 53 and name HA ) 4.0 2.2 2.0 ! A.706 at 1.69e+07 assign (resid 53 and name HB1 ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.418 at 6.53e+07 assign (resid 53 and name HB2 ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.417 at 6.03e+07 assign (resid 53 and name HN ) (resid 54 and name HN ) 4.0 2.2 2.0 ! A.426 at 2.77e+07 assign (resid 53 and name HA ) (resid 54 and name HN ) 4.0 2.2 2.0 ! A.428 at 2.88e+07 assign (resid 53 and name HB2 ) (resid 54 and name HN ) 4.0 2.2 2.0 ! A.430 at 2.16e+07 assign (resid 53 and name HE3 ) (resid 54 and name HN ) 4.0 2.2 2.0 ! A.920 at 1.88e+07 assign (resid 53 and name HN ) (resid 54 and name HD2# ) 4.0 2.2 2.5 ! A.415 at 1.03e+07 assign (resid 53 and name HN ) (resid 55 and name HN ) 4.0 2.2 2.0 ! A.442 at 1.08e+07 assign (resid 53 and name HZ3 ) (resid 74 and name HN ) 4.0 2.2 2.0 ! A.623 at 1.61e+07 assign (resid 53 and name HE1 ) (resid 78 and name HA ) 4.0 2.2 2.0 ! A.706 at 1.69e+07 assign (resid 53 and name HZ2 ) (resid 77 and name HN ) 4.0 2.2 2.0 ! A.951 at 1.90e+07 assign (resid 53 and name HH2 ) (resid 77 and name HN ) 4.0 2.2 2.0 ! A.952 at 1.76e+07 assign (resid 53 and name HE1 ) (resid 77 and name HG# ) 4.0 2.2 2.0 ! A.702 at 1.87e+07 assign (resid 53 and name HH2 ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.654 at 3.95e+07 assign (resid 53 and name HZ2 ) (resid 78 and name HN ) 4.0 2.2 2.0 ! A.654 at 3.95e+07 assign (resid 53 and name HE1 ) (resid 57 and name HD2 ) 4.0 2.2 1.0 ! A.709 at 6.40e+07 ! L54 assign (resid 54 and name HD1# ) (resid 54 and name HN ) 4.0 2.2 2.5 ! A.431 at 1.42e+07 assign (resid 54 and name HG ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.434 at 4.05e+07 assign (resid 54 and name HB1 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.738 at 4.02e+07 assign (resid 54 and name HB2 ) (resid 54 and name HN ) 4.0 2.2 2.0 ! A.739 at 2.41e+07 assign (resid 54 and name HD2# ) (resid 54 and name HN ) 4.0 2.2 2.5 ! A.919 at 2.07e+07 assign (resid 54 and name HA ) (resid 55 and name HN ) 4.0 2.2 2.0 ! A.443 at 1.93e+07 assign (resid 54 and name HG ) (resid 55 and name HN ) 4.0 2.2 2.0 ! A.449 at 2.32e+07 assign (resid 54 and name HD2# ) (resid 55 and name HN ) 4.0 2.2 2.5 ! A.452 at 1.42e+07 assign (resid 54 and name HD1# ) (resid 55 and name HN ) 4.0 2.2 2.5 ! A.453 at 1.29e+07 assign (resid 54 and name HB1 ) (resid 55 and name HN ) 4.0 2.2 1.0 ! A.740 at 4.52e+07 assign (resid 54 and name HB2 ) (resid 55 and name HN ) 4.0 2.2 2.0 ! A.741 at 3.37e+07 assign (resid 54 and name HA ) (resid 56 and name HN ) 4.0 2.2 2.0 ! A.459 at 2.90e+07 assign (resid 54 and name HA ) (resid 57 and name HN ) 4.0 2.2 2.0 ! A.477 at 2.35e+07 assign (resid 54 and name HA ) (resid 58 and name HN ) 4.0 2.2 2.0 ! A.494 at 8.53e+06 ! D55 assign (resid 55 and name HB2 ) (resid 55 and name HN ) 4.0 2.2 1.0 ! A.742 at 8.36e+07 assign (resid 55 and name HB1 ) (resid 55 and name HN ) 4.0 2.2 1.0 ! A.743 at 6.11e+07 assign (resid 55 and name HN ) (resid 56 and name HN ) 4.0 2.2 1.0 ! A.437 at 4.93e+07 assign (resid 55 and name HN ) (resid 56 and name HB2 ) 4.0 2.2 2.0 ! A.918 at 1.25e+07 assign (resid 55 and name HA ) (resid 56 and name HN ) 4.0 2.2 1.0 ! A.457 at 4.34e+07 assign (resid 55 and name HB1 ) (resid 56 and name HN ) 4.0 2.2 1.0 ! A.463 at 7.87e+07 assign (resid 55 and name HB2 ) (resid 56 and name HN ) 4.0 2.2 1.0 ! A.462 at 9.20e+07 assign (resid 55 and name HN ) (resid 57 and name HN ) 4.0 2.2 2.0 ! A.916 at 2.14e+07 assign (resid 55 and name HB1 ) (resid 57 and name HN ) 4.0 2.2 2.0 ! A.745 at 2.23e+07 assign (resid 55 and name HA ) (resid 58 and name HN ) 4.0 2.2 2.0 ! A.491 at 2.38e+07 assign (resid 55 and name HA ) (resid 58 and name HE ) 4.0 2.2 1.0 ! A.810 at 5.22e+07 ! R56 assign (resid 56 and name HB2 ) (resid 56 and name HN ) 2.5 0.7 0.4 ! A.467 at 3.42e+08 assign (resid 56 and name HB1 ) (resid 56 and name HN ) 2.5 0.7 0.4 ! A.468 at 2.58e+08 assign (resid 56 and name HN ) (resid 57 and name HA ) 4.0 2.2 2.0 ! A.966 at 2.72e+07 assign (resid 56 and name HN ) (resid 57 and name HN ) 3.0 1.2 0.5 ! A.456 at 1.76e+08 assign (resid 56 and name HB2 ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.482 at 4.68e+07 assign (resid 56 and name HA ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.476 at 5.41e+07 assign (resid 56 and name HA ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.493 at 4.07e+07 assign (resid 56 and name HN ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.490 at 3.79e+07 assign (resid 56 and name HN ) (resid 58 and name HB1 ) 4.0 2.2 2.0 ! A.466 at 1.45e+07 ! H57 assign (resid 57 and name HB1 ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.478 at 6.28e+07 assign (resid 57 and name HB2 ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.479 at 8.34e+07 assign (resid 57 and name HB2 ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.497 at 3.55e+07 assign (resid 57 and name HB1 ) (resid 58 and name HN ) 4.0 2.2 2.0 ! A.495 at 2.46e+07 assign (resid 57 and name HA ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.492 at 5.56e+07 assign (resid 57 and name HN ) (resid 58 and name HN ) 3.0 1.2 0.5 ! A.489 at 1.83e+08 assign (resid 57 and name HN ) (resid 58 and name HG1 ) 4.0 2.2 2.0 ! A.746 at 2.85e+07 assign (resid 57 and name HN ) (resid 58 and name HA ) 4.0 2.2 2.0 ! A.481 at 2.30e+07 assign (resid 57 and name HA ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.514 at 5.57e+07 assign (resid 57 and name HB1 ) (resid 60 and name HN ) 4.0 2.2 2.0 ! A.967 at 2.21e+07 assign (resid 57 and name HA ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.517 at 3.52e+07 assign (resid 57 and name HA ) (resid 61 and name HN ) 4.0 2.2 2.0 ! A.529 at 2.27e+07 assign (resid 57 and name HN ) (resid 54 and name HD2# ) 4.0 2.2 2.5 ! A.484 at 1.61e+07 ! R58 assign (resid 58 and name HD1 ) (resid 58 and name HN ) 4.0 2.2 2.0 ! A.498 at 2.93e+07 assign (resid 58 and name HG2 ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.499 at 3.84e+07 assign (resid 58 and name HG1 ) (resid 58 and name HN ) 3.0 1.2 0.5 ! A.500 at 1.84e+08 assign (resid 58 and name HD2 ) (resid 58 and name HN ) 3.0 1.2 0.5 ! A.502 at 1.62e+08 assign (resid 58 and name HB1 ) (resid 58 and name HE ) 4.0 2.2 1.0 ! A.802 at 8.10e+07 assign (resid 58 and name HB2 ) (resid 58 and name HE ) 4.0 2.2 1.0 ! A.803 at 7.03e+07 assign (resid 58 and name HG2 ) (resid 58 and name HE ) 4.0 2.2 1.0 ! A.801 at 5.47e+07 assign (resid 58 and name HN ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.488 at 9.89e+07 assign (resid 58 and name HG2 ) (resid 59 and name HN ) 4.0 2.2 2.0 ! A.506 at 2.76e+07 assign (resid 58 and name HG1 ) (resid 59 and name HN ) 3.0 1.2 0.5 ! A.507 at 1.04e+08 assign (resid 58 and name HA ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.512 at 5.63e+07 !assign (resid 58 and (name HD2 or name HB2)) (resid 59 and name HN ) 3.0 1.2 0.5 ! A.508 at 1.40e+08 assign (resid 58 and name HG1 ) (resid 60 and name HN ) 4.0 2.2 2.0 ! A.523 at 9.43e+06 assign (resid 58 and name HG1 ) (resid 61 and name HN ) 4.0 2.2 2.0 ! A.932 at 1.25e+07 assign (resid 58 and name HA ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.534 at 3.94e+07 ! D59 assign (resid 59 and name HB# ) (resid 59 and name HN ) 2.5 0.7 0.4 ! A.511 at 3.90e+08 assign (resid 59 and name HN ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.516 at 8.37e+07 assign (resid 59 and name HN ) (resid 61 and name HN ) 4.0 2.2 2.0 ! A.524 at 2.66e+07 ! M60 assign (resid 60 and name HB2 ) (resid 60 and name HN ) 3.0 1.2 0.5 ! A.522 at 1.08e+08 assign (resid 60 and name HB1 ) (resid 60 and name HN ) 3.0 1.2 0.5 ! A.521 at 1.26e+08 assign (resid 60 and name HG# ) (resid 60 and name HN ) 3.0 1.2 0.5 ! A.520 at 1.21e+08 assign (resid 60 and name HB1 ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.539 at 7.37e+07 assign (resid 60 and name HG2 ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.931 at 4.18e+07 assign (resid 60 and name HB2 ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.538 at 7.84e+07 assign (resid 60 and name HA ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.531 at 4.89e+07 assign (resid 60 and name HG1 ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.930 at 3.61e+07 ! C61 assign (resid 61 and name HB2 ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.533 at 7.95e+07 assign (resid 61 and name HB1 ) (resid 61 and name HN ) 3.0 1.2 0.5 ! A.532 at 1.46e+08 assign (resid 61 and name HB1 ) (resid 62 and name HN ) 4.0 2.2 2.0 ! A.946 at 3.15e+07 assign (resid 61 and name HA ) (resid 63 and name HN ) 4.0 2.2 2.0 ! A.907 at 1.88e+07 assign (resid 61 and name HN ) (resid 63 and name HD# ) 4.0 2.2 2.0 ! A.537 at 1.86e+07 assign (resid 61 and name HN ) (resid 63 and name HG1 ) 4.0 2.2 2.0 ! A.540 at 1.82e+07 assign (resid 61 and name HA ) (resid 64 and name HN ) 4.0 2.2 1.0 ! A.964 at 7.09e+07 !assign (resid 61 and name HN ) (resid 64 and name HH2 ) 4.0 2.2 2.0 ! A.929 at 3.15e+07 assign ((resid 61 or resid 60) and name HA) (resid 64 and name HE1 ) 4.0 2.2 2.0 ! A.694 at 3.04e+07 assign (resid 61 and name HN ) (resid 74 and name HD1# ) 4.0 2.2 2.5 ! A.536 at 1.10e+07 ! E62 assign (resid 62 and name HB# ) (resid 62 and name HN ) 3.0 1.2 0.5 ! A.947 at 1.39e+08 assign (resid 62 and name HN ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.315 at 5.84e+07 assign (resid 62 and name HB# ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.904 at 4.06e+07 assign (resid 62 and name HN ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.904 at 4.06e+07 ! K63 assign (resid 63 and name HG2 ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.902 at 5.07e+07 assign (resid 63 and name HB2 ) (resid 63 and name HN ) 3.0 1.2 0.5 ! A.903 at 1.09e+08 assign (resid 63 and name HA ) (resid 64 and name HN ) 4.0 2.2 1.0 ! A.963 at 5.57e+07 assign (resid 63 and name HB1 ) (resid 64 and name HN ) 4.0 2.2 1.0 ! A.969 at 7.40e+07 assign (resid 63 and name HG1 ) (resid 64 and name HN ) 4.0 2.2 2.0 ! A.968 at 3.09e+07 assign (resid 63 and name HN ) (resid 64 and name HN ) 4.0 2.2 1.0 ! A.900 at 7.09e+07 assign (resid 63 and name HN ) (resid 64 and name HB# ) 4.0 2.2 2.0 ! A.905 at 1.40e+07 assign (resid 60 and name HA ) (resid 64 and name HE1 ) 4.0 2.2 2.0 ! A.695 at 3.04e+07 ! W64 assign (resid 64 and name HB# ) (resid 64 and name HN ) 3.0 1.2 0.5 ! A.962 at 1.49e+08 assign (resid 64 and name HD1 ) (resid 64 and name HN ) 3.0 1.2 0.5 ! A.960 at 1.29e+08 assign (resid 61 and name HB1 ) (resid 64 and name HE1 ) 4.0 2.2 1.0 ! A.693 at 3.79e+07 assign (resid 64 and name HA ) (resid 65 and name HN ) 4.0 2.2 2.0 ! A.898 at 7.85e+06 assign (resid 64 and name HE1 ) (resid 60 and name HB2 ) 4.0 2.2 1.0 ! A.699 at 3.50e+07 assign (resid 64 and name HB# ) (resid 66 and name HN ) 4.0 2.2 2.0 ! A.545 at 2.49e+07 assign (resid 64 and name HE1 ) (resid 61 and name HB2 ) 4.0 2.2 2.0 ! A.697 at 3.09e+07 assign (resid 64 and name HB# ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.560 at 4.12e+07 assign (resid 64 and name HE1 ) (resid 70 and name HG12 ) 4.0 2.2 1.0 ! A.691 at 7.53e+07 assign (resid 64 and name HE1 ) (resid 70 and name HG11 ) 4.0 2.2 1.0 ! A.698 at 4.39e+07 assign (resid 64 and name HE1 ) (resid 60 and name HG2 ) 4.0 2.2 1.0 ! A.692 at 6.40e+07 assign (resid 64 and name HE1 ) (resid 60 and name HG1 ) 4.0 2.2 1.0 ! A.692 at 6.40e+07 assign (resid 64 and name HE1 ) (resid 70 and name HG2# ) 4.0 2.2 1.5 ! A.690 at 7.27e+07 assign (resid 64 and name HE1 ) (resid 74 and name HD1# ) 4.0 2.2 2.5 ! A.689 at 2.19e+07 ! K65 assign (resid 65 and name HB2 ) (resid 65 and name HN ) 4.0 2.2 2.0 ! A.893 at 1.34e+07 assign (resid 65 and name HG# ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.892 at 5.30e+07 assign (resid 65 and name HN ) (resid 61 and name HA ) 4.0 2.2 2.0 ! A.896 at 1.02e+07 assign (resid 65 and name HN ) (resid 63 and name HA ) 4.0 2.2 2.0 ! A.895 at 2.93e+07 assign (resid 65 and name HG# ) (resid 66 and name HN ) 4.0 2.2 2.0 ! A.550 at 3.22e+07 assign (resid 65 and name HB2 ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.551 at 7.67e+07 assign (resid 65 and name HA ) (resid 66 and name HN ) 3.0 1.2 0.5 ! A.546 at 1.14e+08 assign (resid 65 and name HN ) (resid 70 and name HD1# ) 4.0 2.2 2.5 ! A.546 at 1.14e+08 assign (resid 65 and name HN ) (resid 62 and name HA ) 4.0 2.2 2.0 ! A.550 at 3.22e+07 ! S66 assign (resid 66 and name HB1 ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.748 at 7.65e+07 assign (resid 66 and name HN ) (resid 69 and name HB2 ) 4.0 2.2 2.0 ! A.543 at 2.42e+07 assign (resid 66 and name HN ) (resid 69 and name HB1 ) 4.0 2.2 2.0 ! A.544 at 2.93e+07 assign (resid 66 and name HN ) (resid 70 and name HD1# ) 4.0 2.2 2.5 ! A.549 at 1.28e+07 ! K67 assign (resid 67 and name HG1 ) (resid 67 and name HN ) 4.0 2.2 2.0 ! A.555 at 9.99e+06 assign (resid 67 and name HB1 ) (resid 67 and name HN ) 4.0 2.2 2.0 ! A.554 at 2.46e+07 assign (resid 67 and name HN ) (resid 68 and name HN ) 4.0 2.2 2.0 ! A.552 at 1.27e+07 assign (resid 67 and name HG2 ) (resid 68 and name HN ) 4.0 2.2 2.0 ! A.935 at 3.33e+07 assign (resid 67 and name HA ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.735 at 9.94e+07 ! E68 assign (resid 68 and name HB# ) (resid 68 and name HN ) 2.5 0.7 0.4 ! A.934 at 3.92e+08 assign (resid 68 and name HG2 ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.942 at 6.71e+07 assign (resid 68 and name HG1 ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.941 at 6.65e+07 assign (resid 68 and name HN ) (resid 71 and name HD1# ) 4.0 2.2 2.5 ! A.940 at 1.47e+07 ! D69 assign (resid 69 and name HB1 ) (resid 69 and name HN ) 4.0 2.2 2.0 ! A.913 at 1.81e+07 assign (resid 69 and name HN ) (resid 70 and name HN ) 4.0 2.2 2.0 ! A.912 at 2.17e+07 assign (resid 69 and name HN ) (resid 67 and name HG1 ) 4.0 2.2 2.0 ! A.780 at 2.51e+07 assign (resid 69 and name HB1 ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.565 at 7.86e+07 assign (resid 69 and name HA ) (resid 70 and name HN ) 3.0 1.2 0.5 ! A.563 at 1.15e+08 assign (resid 69 and name HB2 ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.566 at 7.10e+07 assign (resid 69 and name HB1 ) (resid 72 and name HN ) 4.0 2.2 2.0 ! A.956 at 3.37e+07 assign (resid 69 and name HB2 ) (resid 72 and name HN ) 4.0 2.2 2.0 ! A.955 at 3.67e+07 ! I70 assign (resid 70 and name HG12 ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.568 at 9.70e+07 assign (resid 70 and name HD1# ) (resid 70 and name HN ) 4.0 2.2 1.5 ! A.569 at 8.97e+07 assign (resid 70 and name HG11 ) (resid 70 and name HN ) 2.5 0.7 0.4 ! A.567 at 3.40e+08 assign (resid 70 and name HN ) (resid 71 and name HN ) 3.0 1.2 0.5 ! A.559 at 1.40e+08 assign (resid 70 and name HN ) (resid 71 and name HD2# ) 4.0 2.2 1.5 ! A.1004 at 6.46e+07 assign (resid 70 and name HG2# ) (resid 71 and name HN ) 4.0 2.2 1.5 ! A.582 at 9.76e+07 assign (resid 70 and name HA ) (resid 71 and name HN ) 4.0 2.2 1.0 ! A.577 at 4.48e+07 assign (resid 70 and name HB ) (resid 71 and name HN ) 2.5 0.7 0.4 ! A.583 at 2.17e+08 assign (resid 70 and name HG12 ) (resid 71 and name HN ) 4.0 2.2 1.0 ! A.40 at 7.53e+07 assign (resid 70 and name HN ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.558 at 1.71e+08 assign (resid 70 and name HA ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.612 at 5.72e+07 assign (resid 70 and name HA ) (resid 74 and name HN ) 4.0 2.2 2.0 ! A.628 at 1.98e+07 ! L71 assign (resid 71 and name HB2 ) (resid 71 and name HN ) 2.5 0.7 0.4 ! A.578 at 3.89e+08 assign (resid 71 and name HB1 ) (resid 71 and name HN ) 3.0 1.2 0.5 ! A.579 at 1.79e+08 assign (resid 71 and name HD1# ) (resid 71 and name HN ) 3.0 1.2 1.0 ! A.580 at 1.31e+08 assign (resid 71 and name HN ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.574 at 2.34e+08 assign (resid 71 and name HN ) (resid 72 and name HB# ) 4.0 2.2 1.0 ! A.990 at 6.37e+07 assign (resid 71 and name HD2# ) (resid 72 and name HN ) 4.0 2.2 1.5 ! A.959 at 6.14e+07 assign (resid 71 and name HB2 ) (resid 72 and name HN ) 3.0 1.2 0.5 ! A.603 at 1.49e+08 assign (resid 71 and name HA ) (resid 72 and name HN ) 3.0 1.2 0.5 ! A.591 at 1.05e+08 assign (resid 71 and name HB1 ) (resid 72 and name HN ) 3.0 1.2 0.5 ! A.609 at 1.09e+08 assign (resid 71 and name HB2 ) (resid 75 and name HD22 ) 4.0 2.2 2.0 ! A.820 at 1.13e+07 assign (resid 71 and name HA ) (resid 75 and name HD22 ) 4.0 2.2 2.0 ! A.826 at 1.11e+07 assign (resid 71 and name HD1# ) (resid 75 and name HD22 ) 4.0 2.2 2.5 ! A.815 at 1.91e+07 assign (resid 71 and name HB1 ) (resid 75 and name HD21 ) 4.0 2.2 2.0 ! A.818 at 1.55e+07 assign (resid 71 and name HB1 ) (resid 75 and name HD22 ) 4.0 2.2 2.0 ! A.817 at 1.46e+07 assign (resid 71 and name HB2 ) (resid 75 and name HD21 ) 4.0 2.2 2.0 ! A.819 at 1.42e+07 assign (resid 71 and name HA ) (resid 75 and name HD21 ) 4.0 2.2 2.0 ! A.825 at 1.54e+07 assign (resid 71 and name HD1# ) (resid 75 and name HD21 ) 4.0 2.2 2.5 ! A.816 at 2.00e+07 ! H72 assign (resid 72 and name HB# ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.590 at 4.20e+08 assign (resid 72 and name HA ) (resid 73 and name HN ) 3.0 1.2 0.5 ! A.986 at 1.03e+08 assign (resid 72 and name HB# ) (resid 73 and name HN ) 3.0 1.2 0.5 ! A.611 at 1.89e+08 assign (resid 72 and name HN ) (resid 73 and name HD# ) 4.0 2.2 1.0 ! A.749 at 3.84e+07 !assign (resid 72 and name HN ) (resid 73 and name HG2 ) 4.0 2.2 2.0 ! A.957 at 1.86e+07 assign (resid 72 and name HN ) (resid 74 and name HN ) 4.0 2.2 2.0 ! A.589 at 2.52e+07 assign (resid 72 and name HA ) (resid 75 and name HD21 ) 4.0 2.2 2.0 ! A.828 at 2.69e+07 assign (resid 72 and name HA ) (resid 75 and name HD22 ) 4.0 2.2 2.0 ! A.827 at 2.31e+07 ! K73 assign (resid 73 and name HG2 ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.616 at 7.47e+07 assign (resid 73 and name HB2 ) (resid 73 and name HN ) 2.5 0.7 0.4 ! A.618 at 2.06e+08 assign (resid 73 and (name HD# or name HG1)) (resid 73 and name HN ) 2.5 0.7 0.4 ! A.617 at 2.15e+08 assign (resid 73 and name HB2 ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.631 at 6.13e+07 assign (resid 73 and name HN ) (resid 74 and name HN ) 3.0 1.2 0.5 ! A.621 at 1.14e+08 assign (resid 73 and name HB1 ) (resid 74 and name HN ) 3.0 1.2 0.5 ! A.630 at 1.12e+08 assign (resid 73 and name HD# ) (resid 77 and name HN ) 4.0 2.2 2.0 ! A.647 at 1.11e+07 ! L74 assign (resid 74 and name HD1# ) (resid 74 and name HN ) 4.0 2.2 1.5 ! A.629 at 8.98e+07 assign (resid 74 and name HB2 ) (resid 74 and name HN ) 3.0 1.2 0.5 ! A.925 at 1.49e+08 assign (resid 74 and name HN ) (resid 75 and name HN ) 3.0 1.2 0.5 ! A.622 at 1.10e+08 assign (resid 74 and name HD1# ) (resid 75 and name HN ) 4.0 2.2 1.5 ! A.41 at 4.24e+07 assign (resid 74 and name HB2 ) (resid 75 and name HN ) 3.0 1.2 0.5 ! A.992 at 1.30e+08 assign (resid 74 and name HD1# ) (resid 77 and name HN ) 4.0 2.2 2.5 ! A.650 at 1.38e+07 ! N75 assign (resid 75 and name HD22 ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.188 at 6.09e+07 assign (resid 75 and name HD21 ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.186 at 3.99e+07 assign (resid 75 and name HB2 ) (resid 75 and name HN ) 2.5 0.7 0.4 ! A.190 at 2.25e+08 assign (resid 75 and name HB2 ) (resid 75 and name HD21 ) 4.0 2.2 1.0 ! A.824 at 5.29e+07 assign (resid 75 and name HB1 ) (resid 75 and name HD21 ) 4.0 2.2 1.0 ! A.823 at 4.09e+07 assign (resid 75 and name HA ) (resid 75 and name HD22 ) 4.0 2.2 2.0 ! A.829 at 1.18e+07 assign (resid 75 and name HB1 ) (resid 75 and name HD22 ) 4.0 2.2 1.0 ! A.821 at 3.52e+07 assign (resid 75 and name HB2 ) (resid 75 and name HD22 ) 4.0 2.2 1.0 ! A.822 at 4.82e+07 assign (resid 75 and name HN ) (resid 76 and name HN ) 3.0 1.2 0.5 ! A.634 at 1.07e+08 assign (resid 75 and name HB2 ) (resid 76 and name HN ) 4.0 2.2 1.0 ! A.638 at 6.67e+07 assign (resid 75 and name HB1 ) (resid 76 and name HN ) 4.0 2.2 1.0 ! A.637 at 8.26e+07 assign (resid 75 and name HA ) (resid 76 and name HN ) 4.0 2.2 1.0 ! A.636 at 5.85e+07 assign (resid 75 and name HB2 ) (resid 77 and name HN ) 4.0 2.2 2.0 ! A.644 at 1.20e+07 assign (resid 75 and name HA ) (resid 77 and name HN ) 4.0 2.2 2.0 ! A.649 at 1.70e+07 assign (resid 75 and name HA ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.655 at 3.92e+07 ! E76 assign (resid 76 and name HB# ) (resid 76 and name HN ) 2.5 0.7 0.4 ! A.639 at 2.75e+08 assign (resid 76 and name HB# ) (resid 77 and name HN ) 3.0 1.2 0.5 ! A.646 at 1.25e+08 assign (resid 76 and name HA ) (resid 79 and name HD21 ) 4.0 2.2 2.0 ! A.882 at 2.07e+07 ! Q77 assign (resid 77 and name HB1 ) (resid 77 and name HN ) 3.0 1.2 0.5 ! A.645 at 1.58e+08 assign (resid 77 and name HG# ) (resid 77 and name HE22 ) 4.0 2.2 1.0 ! A.888 at 3.60e+07 assign (resid 77 and name HA ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.656 at 7.98e+07 assign (resid 77 and name HB1 ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.660 at 5.68e+07 assign (resid 77 and name HN ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.652 at 8.08e+07 assign (resid 77 and name HN ) (resid 78 and name HB2 ) 4.0 2.2 2.0 ! A.954 at 2.33e+07 assign (resid 77 and name HA ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.911 at 6.93e+07 ! W78 assign (resid 78 and name HB2 ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.657 at 9.71e+07 assign (resid 78 and name HE3 ) (resid 78 and name HN ) 4.0 2.2 2.0 ! A.651 at 1.73e+07 assign (resid 78 and name HB1 ) (resid 78 and name HN ) 3.0 1.2 0.5 ! A.658 at 1.05e+08 assign (resid 78 and name HN ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.653 at 4.76e+07 assign (resid 78 and name HA ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.663 at 5.02e+07 assign (resid 78 and name HB1 ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.664 at 4.58e+07 assign (resid 78 and name HB2 ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.665 at 3.55e+07 assign (resid 78 and name HB1 ) (resid 79 and name HD21 ) 4.0 2.2 2.0 ! A.883 at 9.87e+06 assign (resid 78 and name HB1 ) (resid 80 and name HN ) 4.0 2.2 2.0 ! A.678 at 1.63e+07 assign (resid 78 and name HN ) (resid 80 and name HN ) 4.0 2.2 2.0 ! A.672 at 1.47e+07 ! N79 assign (resid 79 and name HB1 ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.666 at 5.26e+07 assign (resid 79 and name HB2 ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.667 at 9.20e+07 assign (resid 79 and name HA ) (resid 79 and name HD21 ) 4.0 2.2 2.0 ! A.881 at 1.50e+07 assign (resid 79 and name HB1 ) (resid 79 and name HD21 ) 4.0 2.2 1.0 ! A.885 at 5.49e+07 assign (resid 79 and name HB2 ) (resid 79 and name HD21 ) 4.0 2.2 1.0 ! A.884 at 8.27e+07 assign (resid 79 and name HB2 ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.676 at 5.87e+07 assign (resid 79 and name HB1 ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.677 at 3.93e+07 assign (resid 79 and name HN ) (resid 80 and name HG# ) 4.0 2.2 2.0 ! A.669 at 7.11e+06 assign (resid 79 and name HN ) (resid 80 and name HB# ) 4.0 2.2 2.0 ! A.668 at 9.17e+06 ! K80 !assign (resid 80 and name HG# ) (resid 80 and name HN ) 3.0 1.2 0.5 ! A.673 at 1.19e+08 assign (resid 80 and name HB# ) (resid 80 and name HN ) 2.5 0.7 0.4 ! A.674 at 3.23e+08 assign (resid 80 and name HN ) (resid 81 and name HN ) 3.0 1.2 0.5 ! A.909 at 1.56e+08 assign (resid 80 and name HG# ) (resid 81 and name HN ) 4.0 2.2 1.0 ! A.686 at 4.99e+07 assign (resid 80 and name HB# ) (resid 81 and name HN ) 3.0 1.2 0.5 ! A.685 at 1.07e+08 ! D81 assign (resid 81 and name HB2 ) (resid 81 and name HN ) 3.0 1.2 0.5 ! A.684 at 1.78e+08 !@ END_XPLR_NOE_FILE
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