NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type | subtype | subsubtype |
|
|
4275 |
1f2h   |
4636 | cing | recoord | dress | 1-original | 3 | XPLOR/CNS | distance | NOE | simple |
! intra_sel.awk RES_COUNT is 506 ! intra_sel.awk Range: 1 - 1 assign (resid 17 and name HA ) (resid 18 and name HE# ) 4.0 2.2 1.0 ! A.194 at 4.20e+04 assign (resid 15 and name HA ) (resid 16 and name HD# ) 4.0 2.2 2.0 ! A.2697 at -5.76e+04 assign (resid 18 and name HA ) (resid 19 and name HG* ) 4.0 2.2 1.5 ! A.1143 at -1.32e+05 assign (resid 18 and name HA ) (resid 19 and name HB ) 4.0 2.2 1.0 ! A.3559 at -6.38e+04 assign (resid 21 and name HA ) (resid 22 and name HB2 ) 4.0 2.2 1.0 ! A.3837 at -5.54e+04 assign (resid 23 and name HD* ) (resid 24 and name HA ) 4.0 2.2 2.0 ! A.189 at -7.14e+04 assign (resid 24 and name HB# ) (resid 25 and name HG# ) 4.0 2.2 2.0 ! A.857 at 6.09e+04 assign (resid 29 and name HB# ) (resid 30 and name HA ) 4.0 2.2 2.0 ! A.2478 at -6.84e+04 assign (resid 32 and name HD# ) (resid 33 and name HB# ) 4.0 2.2 2.0 ! A.3360 at -8.87e+04 assign (resid 34 and name HA ) (resid 35 and name HD# ) 3.0 1.2 0.8 ! A.492 at -4.89e+05 assign (resid 34 and name HA ) (resid 35 and name HG# ) 4.0 2.2 1.5 ! A.2692 at 1.07e+05 assign (resid 34 and name HB# ) (resid 35 and name HD# ) 4.0 2.2 2.0 ! A.2533 at -7.09e+04 assign (resid 37 and name HB2 ) (resid 38 and name HB# ) 4.0 2.2 2.0 ! A.558 at 7.16e+04 assign (resid 38 and name HB# ) (resid 39 and name HG* ) 3.0 1.2 0.8 ! A.622 at -3.20e+05 assign (resid 39 and name HG* ) (resid 40 and name HB# ) 3.0 1.2 1.3 ! A.619 at -3.50e+05 assign (resid 39 and name HG* ) (resid 40 and name HA ) 3.0 1.2 0.8 ! A.3625 at -2.80e+05 assign (resid 41 and name HG# ) (resid 42 and name HD# ) 3.0 1.2 1.3 ! A.2799 at 3.15e+05 assign (resid 42 and name HD# ) (resid 43 and name HA ) 4.0 2.2 2.0 ! A.676 at -6.60e+04 assign (resid 55 and name HB# ) (resid 56 and name HD# ) 3.0 1.2 0.8 ! A.832 at -6.17e+05 assign (resid 55 and name HB# ) (resid 56 and name HG# ) 4.0 2.2 1.5 ! A.843 at 1.18e+05 assign (resid 55 and name HA ) (resid 56 and name HD# ) 3.0 1.2 0.8 ! A.824 at -8.53e+05 assign (resid 55 and name HA ) (resid 56 and name HG# ) 4.0 2.2 1.5 ! A.825 at -1.23e+05 assign (resid 58 and name HG2# ) (resid 59 and name HA ) 4.0 2.2 1.5 ! A.884 at -1.20e+05 assign (resid 58 and name HG1# ) (resid 59 and name HA ) 4.0 2.2 1.5 ! A.872 at -8.47e+04 assign (resid 59 and name HA ) (resid 60 and name HA ) 4.0 2.2 1.0 ! A.2621 at -9.27e+04 assign (resid 68 and name HA ) (resid 69 and name HG# ) 4.0 2.2 1.5 ! A.2418 at -2.51e+04 assign (resid 68 and name HA ) (resid 69 and name HA ) 4.0 2.2 1.0 ! A.129 at -3.87e+04 assign (resid 68 and name HB# ) (resid 69 and name HA ) 4.0 2.2 1.5 ! A.1081 at 1.04e+05 assign (resid 68 and name HA ) (resid 69 and name HD# ) 3.0 1.2 0.8 ! A.2759 at -1.61e+05 assign (resid 69 and name HA ) (resid 70 and name HG# ) 4.0 2.2 1.5 ! A.1091 at 8.86e+04 assign (resid 71 and name HD1# ) (resid 72 and name HA ) 4.0 2.2 1.5 ! A.1112 at -8.72e+04 assign (resid 72 and name HA ) (resid 73 and name HG* ) 4.0 2.2 1.5 ! A.2290 at -1.31e+05 assign (resid 73 and name HG* ) (resid 74 and name HN ) 4.0 2.2 1.5 ! A.2310 at -1.30e+05 assign (resid 74 and name HA ) (resid 75 and name HD* ) 4.0 2.2 2.0 ! A.3293 at -5.79e+04 assign (resid 74 and name HA ) (resid 75 and name HB# ) 4.0 2.2 2.0 ! A.3294 at -5.61e+04 assign (resid 81 and name HA ) (resid 82 and name HD# ) 4.0 2.2 1.0 ! A.2391 at -9.42e+04 assign (resid 81 and name HG# ) (resid 82 and name HD# ) 4.0 2.2 1.0 ! A.2422 at 8.35e+04 assign (resid 81 and name HB# ) (resid 82 and name HD# ) 3.0 1.2 0.8 ! A.1655 at 2.61e+05 assign (resid 81 and name HB# ) (resid 82 and name HG# ) 3.0 1.2 0.8 ! A.1656 at 8.07e+05 assign (resid 82 and name HA ) (resid 83 and name HA ) 4.0 2.2 2.0 ! A.4061 at -5.85e+04 assign (resid 86 and name HD# ) (resid 87 and name HB# ) 4.0 2.2 2.0 ! A.3842 at 5.55e+04 assign (resid 86 and name HD# ) (resid 87 and name HA ) 4.0 2.2 1.5 ! A.1245 at -8.05e+04 assign (resid 86 and name HD# ) (resid 87 and name HG ) 4.0 2.2 2.0 ! A.3959 at 5.21e+04 assign (resid 86 and name HD# ) (resid 87 and name HD* ) 4.0 2.2 1.5 ! A.3520 at 1.08e+05 assign (resid 86 and name HE# ) (resid 87 and name HD* ) 4.0 2.2 1.5 ! A.1270 at 2.67e+05 assign (resid 86 and name HB2 ) (resid 87 and name HD* ) 4.0 2.2 2.0 ! A.3647 at 1.72e+05 assign (resid 89 and name HB# ) (resid 90 and name HA ) 3.0 1.2 0.8 ! A.765 at -2.59e+05 assign (resid 90 and name HD# ) (resid 91 and name HB# ) 4.0 2.2 2.0 ! A.3713 at 5.91e+04 assign (resid 99 and name HD* ) (resid 100 and name HG# ) 3.0 1.2 0.8 ! A.1445 at 1.64e+05 assign (resid 99 and name HD* ) (resid 100 and name HA ) 3.0 1.2 0.8 ! A.1456 at -3.60e+05 assign (resid 109 and name HB# ) (resid 110 and name HA ) 4.0 2.2 1.0 ! A.1581 at -8.31e+04 assign (resid 111 and name HA ) (resid 112 and name HG1# ) 4.0 2.2 1.5 ! A.3590 at -7.95e+04 assign (resid 112 and name HG2# ) (resid 113 and name HD# ) 3.0 1.2 0.8 ! A.1606 at -3.26e+05 assign (resid 112 and name HG1# ) (resid 113 and name HD# ) 4.0 2.2 1.5 ! A.3975 at -8.57e+04 assign (resid 112 and name HG2# ) (resid 113 and name HA ) 4.0 2.2 1.5 ! A.1634 at -9.66e+04 assign (resid 112 and name HA ) (resid 113 and name HD# ) 3.0 1.2 0.8 ! A.1594 at -3.89e+05 assign (resid 112 and name HB ) (resid 113 and name HD# ) 4.0 2.2 1.0 ! A.1600 at 7.53e+04 assign (resid 116 and name HA ) (resid 117 and name HN ) 4.0 2.2 1.0 ! A.86 at -8.34e+04 assign (resid 116 and name HA ) (resid 117 and name HG# ) 4.0 2.2 1.5 ! A.293 at 5.48e+04 assign (resid 121 and name HA# ) (resid 122 and name HB# ) 4.0 2.2 1.5 ! A.1800 at -8.56e+04 assign (resid 127 and name HB# ) (resid 128 and name HD* ) 3.0 1.2 1.3 ! A.3923 at -4.38e+05 assign (resid 135 and name HB# ) (resid 136 and name HD* ) 3.0 1.2 1.3 ! A.3758 at 2.47e+05 assign (resid 138 and name HB2 ) (resid 139 and name HG1# ) 3.0 1.2 0.8 ! A.1953 at 1.98e+05 assign (resid 138 and name HB1 ) (resid 139 and name HG2# ) 4.0 2.2 1.5 ! A.1952 at 1.39e+05 assign (resid 143 and name HA ) (resid 144 and name HA ) 4.0 2.2 1.0 ! A.2016 at -4.79e+04 assign (resid 143 and name HG# ) (resid 144 and name HD# ) 3.0 1.2 0.8 ! A.3917 at 2.37e+05 assign (resid 143 and name HA ) (resid 144 and name HD# ) 3.0 1.2 0.8 ! A.2003 at -6.37e+05 assign (resid 143 and name HB# ) (resid 144 and name HD# ) 3.0 1.2 0.8 ! A.3230 at -4.83e+05 assign (resid 160 and name HB# ) (resid 161 and name HB# ) 4.0 2.2 1.5 ! A.2139 at 8.52e+04 assign (resid 3 and name HN ) (resid 4 and name HN ) 4.0 2.2 1.0 ! A.1507 at 7.54e+04 assign (resid 4 and name HA# ) (resid 5 and name HN ) 4.0 2.2 1.5 ! A.803 at 1.29e+05 assign (resid 8 and name HA ) (resid 9 and name HN ) 3.0 1.2 0.5 ! A.409 at 3.20e+05 assign (resid 9 and name HB# ) (resid 10 and name HN ) 3.0 1.2 1.0 ! A.355 at 4.40e+05 assign (resid 12 and name HB ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.1467 at 1.32e+05 assign (resid 12 and name HA ) (resid 13 and name HN ) 3.0 1.2 0.5 ! A.1470 at 5.50e+05 assign (resid 12 and name HG* ) (resid 13 and name HN ) 3.0 1.2 1.0 ! A.1472 at 4.37e+05 assign (resid 14 and name HA ) (resid 15 and name HN ) 3.0 1.2 0.5 ! A.910 at 2.43e+05 assign (resid 14 and name HB# ) (resid 15 and name HN ) 4.0 2.2 1.5 ! A.1930 at 7.24e+04 assign (resid 15 and name HB# ) (resid 16 and name HN ) 3.0 1.2 1.0 ! A.1125 at 4.81e+05 assign (resid 15 and name HA ) (resid 16 and name HN ) 2.5 0.7 0.4 ! A.1130 at 6.68e+05 assign (resid 16 and name HD# ) (resid 17 and name HN ) 4.0 2.2 1.5 ! A.116 at 7.44e+04 assign (resid 16 and name HA ) (resid 17 and name HN ) 2.5 0.7 0.4 ! A.124 at 6.97e+05 assign (resid 16 and name HB1 ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.127 at 7.08e+04 assign (resid 16 and name HN ) (resid 17 and name HD# ) 4.0 2.2 1.5 ! A.1119 at 9.48e+04 assign (resid 17 and name HB1 ) (resid 18 and name HN ) 3.0 1.2 0.5 ! A.3 at 2.46e+05 assign (resid 17 and name HG ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.2010 at 2.46e+05 assign (resid 17 and name HA ) (resid 18 and name HN ) 3.0 1.2 0.5 ! A.5 at 4.59e+05 assign (resid 18 and name HD# ) (resid 19 and name HN ) 4.0 2.2 1.5 ! A.1893 at 5.92e+04 assign (resid 18 and name HB1 ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.753 at 1.04e+05 assign (resid 18 and name HB2 ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.760 at 6.38e+04 assign (resid 18 and name HA ) (resid 19 and name HN ) 2.5 0.7 0.4 ! A.764 at 7.47e+05 assign (resid 19 and name HB ) (resid 20 and name HN ) 4.0 2.2 1.0 ! A.144 at 1.03e+05 assign (resid 19 and name HG* ) (resid 20 and name HN ) 3.0 1.2 1.0 ! A.146 at 6.19e+05 assign (resid 19 and name HA ) (resid 20 and name HN ) 2.5 0.7 0.4 ! A.149 at 1.30e+06 assign (resid 20 and name HG# ) (resid 21 and name HN ) 4.0 2.2 1.0 ! A.1589 at 8.90e+04 assign (resid 20 and name HA ) (resid 21 and name HN ) 3.0 1.2 0.5 ! A.1860 at 4.05e+05 assign (resid 21 and name HA ) (resid 22 and name HN ) 3.0 1.2 0.5 ! A.308 at 5.80e+05 assign (resid 22 and name HB# ) (resid 23 and name HN ) 4.0 2.2 1.5 ! A.239 at 1.08e+05 assign (resid 22 and name HN ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.236 at 5.08e+05 assign (resid 23 and name HD* ) (resid 24 and name HN ) 4.0 2.2 1.5 ! A.70 at 7.59e+04 assign (resid 23 and name HA ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.81 at 3.11e+05 assign (resid 24 and name HA ) (resid 25 and name HN ) 4.0 2.2 1.0 ! A.1320 at 1.22e+05 assign (resid 25 and name HG# ) (resid 26 and name HN ) 4.0 2.2 1.5 ! A.1992 at 1.67e+05 assign (resid 25 and name HN ) (resid 26 and name HN ) 3.0 1.2 0.5 ! A.763 at 3.77e+05 assign (resid 25 and name HB2 ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.761 at 1.96e+05 assign (resid 26 and name HA ) (resid 27 and name HN ) 3.0 1.2 0.5 ! A.55 at 3.10e+05 assign (resid 26 and name HG* ) (resid 27 and name HN ) 4.0 2.2 1.5 ! A.59 at 8.70e+04 assign (resid 27 and name HG* ) (resid 28 and name HN ) 4.0 2.2 1.5 ! A.1593 at 1.26e+05 assign (resid 28 and name HD* ) (resid 29 and name HN ) 4.0 2.2 1.5 ! A.1475 at 7.97e+04 assign (resid 28 and name HA ) (resid 29 and name HN ) 4.0 2.2 1.0 ! A.1882 at 1.70e+05 assign (resid 28 and name HB# ) (resid 29 and name HN ) 4.0 2.2 1.0 ! A.1486 at 2.15e+05 assign (resid 29 and name HN ) (resid 30 and name HN ) 4.0 2.2 1.0 ! A.467 at 7.76e+04 assign (resid 30 and name HB# ) (resid 31 and name HN ) 3.0 1.2 0.5 ! A.281 at 2.79e+05 assign (resid 30 and name HN ) (resid 31 and name HN ) 3.0 1.2 0.5 ! A.285 at 3.27e+05 assign (resid 30 and name HA ) (resid 31 and name HN ) 4.0 2.2 1.0 ! A.300 at 1.45e+05 assign (resid 31 and name HA ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.1385 at 1.33e+05 assign (resid 31 and name HB# ) (resid 32 and name HN ) 3.0 1.2 1.0 ! A.1387 at 5.28e+05 assign (resid 32 and name HA ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.1214 at 1.74e+05 assign (resid 32 and name HN ) (resid 33 and name HN ) 3.0 1.2 0.5 ! A.1215 at 4.93e+05 assign (resid 32 and name HB2 ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.1222 at 1.35e+05 assign (resid 32 and name HB1 ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.1226 at 1.35e+05 assign (resid 32 and name HD# ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.1233 at 1.54e+05 assign (resid 33 and name HA ) (resid 34 and name HN ) 3.0 1.2 0.5 ! A.347 at 2.41e+05 assign (resid 33 and name HB# ) (resid 34 and name HN ) 3.0 1.2 1.0 ! A.348 at 4.56e+05 assign (resid 33 and name HN ) (resid 34 and name HN ) 2.5 0.7 0.4 ! A.351 at 7.79e+05 assign (resid 33 and name HN ) (resid 34 and name HB# ) 4.0 2.2 1.0 ! A.1232 at 9.11e+04 assign (resid 34 and name HN ) (resid 35 and name HD# ) 4.0 2.2 1.0 ! A.333 at 8.33e+04 assign (resid 35 and name HD# ) (resid 36 and name HN ) 4.0 2.2 1.5 ! A.1267 at 9.24e+04 assign (resid 35 and name HB# ) (resid 36 and name HN ) 3.0 1.2 1.0 ! A.2058 at 2.94e+05 assign (resid 35 and name HG# ) (resid 36 and name HN ) 3.0 1.2 1.0 ! A.1270 at 3.21e+05 assign (resid 35 and name HA ) (resid 36 and name HN ) 4.0 2.2 1.0 ! A.1273 at 7.87e+04 assign (resid 36 and name HN ) (resid 37 and name HN ) 3.0 1.2 0.5 ! A.657 at 4.56e+05 assign (resid 36 and name HA ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.664 at 1.08e+05 assign (resid 36 and name HB# ) (resid 37 and name HN ) 3.0 1.2 1.0 ! A.2059 at 3.59e+05 assign (resid 37 and name HB1 ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.647 at 1.42e+05 assign (resid 37 and name HN ) (resid 38 and name HN ) 3.0 1.2 0.5 ! A.648 at 5.93e+05 assign (resid 37 and name HA ) (resid 38 and name HN ) 3.0 1.2 0.5 ! A.2042 at 3.94e+05 assign (resid 37 and name HB2 ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.684 at 1.10e+05 assign (resid 38 and name HN ) (resid 39 and name HN ) 3.0 1.2 0.5 ! A.651 at 3.22e+05 assign (resid 38 and name HA ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.1249 at 9.43e+04 assign (resid 38 and name HB# ) (resid 39 and name HN ) 3.0 1.2 1.0 ! A.1250 at 3.37e+05 assign (resid 38 and name HG# ) (resid 39 and name HN ) 4.0 2.2 1.5 ! A.1261 at 1.82e+05 assign (resid 39 and name HA ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.426 at 1.64e+05 assign (resid 39 and name HB ) (resid 40 and name HN ) 3.0 1.2 0.5 ! A.429 at 6.35e+05 assign (resid 39 and name HN ) (resid 40 and name HN ) 3.0 1.2 0.5 ! A.1833 at 6.36e+05 assign (resid 39 and name HG* ) (resid 40 and name HN ) 3.0 1.2 1.0 ! A.438 at 3.79e+05 assign (resid 40 and name HN ) (resid 41 and name HN ) 3.0 1.2 0.5 ! A.431 at 5.12e+05 assign (resid 40 and name HA ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.903 at 1.53e+05 assign (resid 40 and name HB# ) (resid 41 and name HN ) 3.0 1.2 1.0 ! A.931 at 4.81e+05 assign (resid 41 and name HB ) (resid 42 and name HN ) 3.0 1.2 0.5 ! A.586 at 2.83e+05 assign (resid 41 and name HG2# ) (resid 42 and name HN ) 4.0 2.2 1.5 ! A.587 at 1.81e+05 assign (resid 41 and name HG1# ) (resid 42 and name HN ) 4.0 2.2 1.5 ! A.591 at 2.05e+05 assign (resid 41 and name HA ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.592 at 1.67e+05 assign (resid 41 and name HN ) (resid 42 and name HN ) 2.5 0.7 0.4 ! A.930 at 1.47e+06 assign (resid 42 and name HN ) (resid 43 and name HN ) 3.0 1.2 0.5 ! A.605 at 3.52e+05 assign (resid 42 and name HD# ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.1091 at 2.27e+05 assign (resid 42 and name HA ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.1863 at 4.60e+05 assign (resid 42 and name HB# ) (resid 43 and name HN ) 3.0 1.2 1.0 ! A.1094 at 5.19e+05 assign (resid 43 and name HN ) (resid 44 and name HN ) 3.0 1.2 0.5 ! A.392 at 4.17e+05 assign (resid 43 and name HG# ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.394 at 1.42e+05 assign (resid 43 and name HA ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.402 at 2.18e+05 assign (resid 43 and name HB# ) (resid 44 and name HN ) 3.0 1.2 1.0 ! A.408 at 5.36e+05 assign (resid 44 and name HN ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.393 at 4.66e+05 assign (resid 44 and name HB# ) (resid 45 and name HN ) 3.0 1.2 1.5 ! A.623 at 4.87e+05 assign (resid 44 and name HA ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.636 at 1.49e+05 assign (resid 45 and name HN ) (resid 46 and name HN ) 2.5 0.7 0.4 ! A.621 at 2.94e+06 assign (resid 45 and name HB1 ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.2027 at 1.83e+05 assign (resid 45 and name HA ) (resid 46 and name HN ) 3.0 1.2 0.5 ! A.2026 at 4.60e+05 assign (resid 45 and name HD* ) (resid 46 and name HN ) 4.0 2.2 1.5 ! A.1136 at 2.03e+05 assign (resid 46 and name HG# ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.1721 at 1.57e+05 assign (resid 46 and name HB1 ) (resid 47 and name HN ) 3.0 1.2 0.5 ! A.554 at 4.22e+05 assign (resid 46 and name HN ) (resid 47 and name HN ) 3.0 1.2 0.5 ! A.559 at 4.55e+05 assign (resid 46 and name HA ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.564 at 2.07e+05 assign (resid 46 and name HB2 ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.576 at 3.27e+05 assign (resid 47 and name HN ) (resid 48 and name HN ) 3.0 1.2 0.5 ! A.563 at 5.37e+05 assign (resid 47 and name HB# ) (resid 48 and name HN ) 2.5 0.7 0.9 ! A.741 at 1.02e+06 assign (resid 47 and name HA ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.1895 at 9.97e+04 assign (resid 48 and name HN ) (resid 49 and name HN ) 3.0 1.2 0.5 ! A.739 at 5.51e+05 assign (resid 48 and name HB# ) (resid 49 and name HN ) 3.0 1.2 1.0 ! A.978 at 6.16e+05 assign (resid 48 and name HA ) (resid 49 and name HN ) 4.0 2.2 1.0 ! A.983 at 2.32e+05 assign (resid 49 and name HN ) (resid 50 and name HN ) 3.0 1.2 0.5 ! A.538 at 4.23e+05 assign (resid 50 and name HA ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.1049 at 2.61e+05 assign (resid 50 and name HB# ) (resid 51 and name HN ) 2.5 0.7 0.9 ! A.1055 at 8.00e+05 assign (resid 51 and name HN ) (resid 52 and name HN ) 3.0 1.2 0.9 ! A.1057 at 6.18e+05 assign (resid 51 and name HG# ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.1431 at 6.86e+04 assign (resid 51 and name HB# ) (resid 52 and name HN ) 3.0 1.2 0.5 ! A.1434 at 2.51e+05 assign (resid 51 and name HA ) (resid 52 and name HN ) 3.0 1.2 1.0 ! A.1435 at 3.95e+05 assign (resid 52 and name HN ) (resid 53 and name HN ) 3.0 1.2 1.0 ! A.1878 at 5.77e+05 assign (resid 52 and name HA ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.1510 at 2.40e+05 assign (resid 52 and name HB# ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.1883 at 1.66e+05 assign (resid 53 and name HA# ) (resid 54 and name HN ) 3.0 1.2 1.0 ! A.1961 at 3.24e+05 assign (resid 53 and name HN ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.1880 at 5.83e+05 assign (resid 54 and name HN ) (resid 55 and name HN ) 3.0 1.2 0.5 ! A.1187 at 2.83e+05 assign (resid 54 and name HA# ) (resid 55 and name HN ) 2.5 0.7 0.4 ! A.1191 at 7.32e+05 assign (resid 56 and name HB# ) (resid 57 and name HN ) 4.0 2.2 1.5 ! A.1336 at 1.18e+05 assign (resid 56 and name HG# ) (resid 57 and name HN ) 4.0 2.2 1.5 ! A.1340 at 2.02e+05 assign (resid 56 and name HD# ) (resid 57 and name HN ) 3.0 1.2 0.5 ! A.1345 at 3.00e+05 assign (resid 56 and name HA ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.1347 at 2.17e+05 assign (resid 57 and name HN ) (resid 58 and name HG2# ) 4.0 2.2 1.5 ! A.1335 at 1.68e+05 assign (resid 57 and name HN ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.1338 at 1.94e+05 assign (resid 57 and name HN ) (resid 58 and name HA ) 4.0 2.2 1.0 ! A.1348 at 2.75e+05 assign (resid 57 and name HN ) (resid 58 and name HG1# ) 4.0 2.2 1.5 ! A.1353 at 1.72e+05 assign (resid 57 and name HB# ) (resid 58 and name HN ) 4.0 2.2 1.5 ! A.2029 at 1.46e+05 assign (resid 57 and name HA ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.1425 at 9.72e+04 assign (resid 58 and name HN ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.97 at 4.56e+04 assign (resid 58 and name HG1# ) (resid 59 and name HN ) 3.0 1.2 1.0 ! A.99 at 3.87e+05 assign (resid 58 and name HA ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.102 at 1.21e+05 assign (resid 58 and name HG2# ) (resid 59 and name HN ) 4.0 2.2 1.5 ! A.105 at 1.23e+05 assign (resid 59 and name HG ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.389 at 6.05e+04 assign (resid 59 and name HD1# ) (resid 60 and name HN ) 4.0 2.2 1.5 ! A.396 at 1.16e+05 assign (resid 59 and name HA ) (resid 60 and name HN ) 3.0 1.2 0.5 ! A.414 at 4.62e+05 assign (resid 59 and name HB2 ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.413 at 6.98e+04 assign (resid 60 and name HB# ) (resid 61 and name HN ) 4.0 2.2 1.5 ! A.460 at 1.87e+05 assign (resid 60 and name HG# ) (resid 61 and name HN ) 4.0 2.2 1.5 ! A.461 at 1.38e+05 assign (resid 60 and name HA ) (resid 61 and name HN ) 2.5 0.7 0.4 ! A.2030 at 8.23e+05 assign (resid 61 and name HB# ) (resid 62 and name HN ) 4.0 2.2 1.5 ! A.317 at 7.16e+04 assign (resid 61 and name HA ) (resid 62 and name HN ) 3.0 1.2 0.5 ! A.336 at 4.10e+05 assign (resid 62 and name HN ) (resid 63 and name HN ) 3.0 1.2 0.5 ! A.331 at 2.60e+05 assign (resid 62 and name HB# ) (resid 63 and name HN ) 3.0 1.2 1.0 ! A.1357 at 4.71e+05 assign (resid 62 and name HA ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.1360 at 1.72e+05 assign (resid 63 and name HA ) (resid 64 and name HN ) 3.0 1.2 0.5 ! A.213 at 6.14e+05 assign (resid 63 and name HG# ) (resid 64 and name HN ) 4.0 2.2 1.0 ! A.1658 at 1.26e+05 assign (resid 64 and name HA ) (resid 65 and name HN ) 2.5 0.7 0.4 ! A.90 at 8.35e+05 assign (resid 64 and name HG2# ) (resid 65 and name HN ) 3.0 1.2 1.0 ! A.92 at 3.82e+05 assign (resid 64 and name HB ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.104 at 7.85e+04 assign (resid 65 and name HN ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.88 at 9.08e+04 assign (resid 65 and name HB# ) (resid 66 and name HN ) 4.0 2.2 1.5 ! A.291 at 1.20e+05 assign (resid 65 and name HA ) (resid 66 and name HN ) 2.5 0.7 0.4 ! A.302 at 9.44e+05 assign (resid 66 and name HN ) (resid 67 and name HN ) 4.0 2.2 1.0 ! A.2032 at 5.28e+04 assign (resid 66 and name HA ) (resid 67 and name HN ) 2.5 0.7 0.4 ! A.644 at 1.18e+06 assign (resid 66 and name HB# ) (resid 67 and name HN ) 4.0 2.2 1.5 ! A.1963 at 1.61e+05 assign (resid 67 and name HN ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.319 at 9.95e+04 assign (resid 67 and name HB# ) (resid 68 and name HN ) 4.0 2.2 1.5 ! A.322 at 8.70e+04 assign (resid 67 and name HA ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.321 at 4.08e+04 assign (resid 69 and name HD# ) (resid 70 and name HN ) 3.0 1.2 1.0 ! A.73 at 2.67e+05 assign (resid 69 and name HA ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.77 at 1.63e+05 assign (resid 69 and name HG# ) (resid 70 and name HN ) 4.0 2.2 1.5 ! A.1948 at 6.56e+04 assign (resid 70 and name HN ) (resid 71 and name HN ) 4.0 2.2 1.0 ! A.69 at 6.89e+04 assign (resid 70 and name HA ) (resid 71 and name HN ) 4.0 2.2 2.0 ! A.1161 at 2.93e+04 assign (resid 70 and name HB# ) (resid 71 and name HN ) 3.0 1.2 1.0 ! A.2007 at 4.04e+05 assign (resid 71 and name HA ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.540 at 6.62e+05 assign (resid 71 and name HB# ) (resid 72 and name HN ) 4.0 2.2 1.5 ! A.1724 at 1.91e+05 assign (resid 71 and name HD2# ) (resid 72 and name HN ) 4.0 2.2 1.5 ! A.2066 at 3.07e+05 assign (resid 71 and name HG ) (resid 72 and name HN ) 3.0 1.2 0.5 ! A.2069 at 3.93e+05 assign (resid 72 and name HA ) (resid 73 and name HN ) 3.0 1.2 0.5 ! A.23 at 5.86e+05 assign (resid 72 and name HN ) (resid 73 and name HA ) 4.0 2.2 1.0 ! A.547 at 9.17e+04 assign (resid 72 and name HG2# ) (resid 73 and name HN ) 4.0 2.2 1.5 ! A.24 at 2.23e+05 assign (resid 73 and name HA ) (resid 74 and name HN ) 2.5 0.7 0.4 ! A.38 at 1.18e+06 assign (resid 74 and name HA ) (resid 75 and name HN ) 2.5 0.7 0.4 ! A.1964 at 1.18e+06 assign (resid 77 and name HD# ) (resid 78 and name HN ) 4.0 2.2 1.5 ! A.420 at 8.64e+04 assign (resid 77 and name HB2 ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.1804 at 1.06e+05 assign (resid 77 and name HB1 ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.433 at 1.21e+05 assign (resid 77 and name HA ) (resid 78 and name HN ) 3.0 1.2 0.5 ! A.1838 at 6.54e+05 assign (resid 79 and name HA# ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.980 at 9.59e+04 assign (resid 79 and name HN ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.1759 at 1.61e+05 assign (resid 80 and name HN ) (resid 81 and name HN ) 4.0 2.2 1.0 ! A.1075 at 1.19e+05 assign (resid 81 and name HN ) (resid 82 and name HD# ) 4.0 2.2 1.0 ! A.1073 at 1.77e+05 assign (resid 82 and name HB# ) (resid 83 and name HN ) 4.0 2.2 1.5 ! A.850 at 1.51e+05 assign (resid 82 and name HD# ) (resid 83 and name HN ) 4.0 2.2 1.5 ! A.887 at 1.66e+05 assign (resid 83 and name HN ) (resid 84 and name HN ) 3.0 1.2 0.5 ! A.876 at 3.43e+05 assign (resid 83 and name HB# ) (resid 84 and name HN ) 4.0 2.2 1.5 ! A.1884 at 1.67e+05 assign (resid 83 and name HA ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.1885 at 9.76e+04 assign (resid 84 and name HA# ) (resid 85 and name HN ) 4.0 2.2 1.0 ! A.484 at 2.27e+05 assign (resid 84 and name HN ) (resid 85 and name HN ) 3.0 1.2 0.5 ! A.496 at 3.72e+05 assign (resid 85 and name HB# ) (resid 86 and name HN ) 3.0 1.2 1.5 ! A.404 at 3.68e+05 assign (resid 85 and name HA ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.416 at 1.56e+05 assign (resid 86 and name HB1 ) (resid 87 and name HN ) 3.0 1.2 0.5 ! A.721 at 2.32e+05 assign (resid 86 and name HN ) (resid 87 and name HN ) 3.0 1.2 0.5 ! A.405 at 2.94e+05 assign (resid 86 and name HA ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.704 at 7.65e+04 assign (resid 86 and name HB2 ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.722 at 1.32e+05 assign (resid 86 and name HD# ) (resid 87 and name HN ) 4.0 2.2 1.5 ! A.718 at 1.99e+05 assign (resid 87 and name HN ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.716 at 2.20e+05 assign (resid 87 and name HB# ) (resid 88 and name HN ) 3.0 1.2 0.9 ! A.835 at 3.34e+05 assign (resid 87 and name HD* ) (resid 88 and name HN ) 4.0 2.2 1.5 ! A.837 at 8.02e+04 assign (resid 87 and name HA ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.854 at 1.34e+05 assign (resid 88 and name HN ) (resid 89 and name HN ) 3.0 1.2 0.5 ! A.465 at 4.90e+05 assign (resid 88 and name HB# ) (resid 89 and name HN ) 3.0 1.2 1.0 ! A.472 at 4.75e+05 assign (resid 88 and name HA ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.482 at 1.77e+05 assign (resid 89 and name HN ) (resid 90 and name HN ) 3.0 1.2 0.5 ! A.459 at 3.88e+05 assign (resid 89 and name HA ) (resid 90 and name HN ) 4.0 2.2 1.0 ! A.707 at 9.49e+04 assign (resid 89 and name HB# ) (resid 90 and name HN ) 3.0 1.2 1.0 ! A.712 at 4.59e+05 assign (resid 90 and name HD# ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.421 at 1.94e+05 assign (resid 90 and name HB# ) (resid 91 and name HN ) 3.0 1.2 0.9 ! A.441 at 2.63e+05 assign (resid 90 and name HN ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.444 at 2.39e+05 assign (resid 90 and name HA ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.455 at 9.39e+04 assign (resid 91 and name HN ) (resid 92 and name HN ) 3.0 1.2 0.5 ! A.427 at 2.43e+05 assign (resid 91 and name HG# ) (resid 92 and name HN ) 4.0 2.2 1.5 ! A.1305 at 8.06e+04 assign (resid 91 and name HA ) (resid 92 and name HN ) 3.0 1.2 0.5 ! A.1314 at 2.72e+05 assign (resid 92 and name HN ) (resid 93 and name HN ) 3.0 1.2 0.5 ! A.1310 at 3.87e+05 assign (resid 92 and name HB# ) (resid 93 and name HN ) 4.0 2.2 1.5 ! A.1797 at 1.05e+05 assign (resid 92 and name HA ) (resid 93 and name HN ) 3.0 1.2 0.5 ! A.1798 at 3.20e+05 assign (resid 93 and name HA# ) (resid 94 and name HN ) 3.0 1.2 0.5 ! A.154 at 2.43e+05 assign (resid 93 and name HN ) (resid 94 and name HN ) 3.0 1.2 0.5 ! A.156 at 4.84e+05 assign (resid 93 and name HN ) (resid 94 and name HB# ) 4.0 2.2 1.5 ! A.2062 at 1.37e+05 assign (resid 94 and name HN ) (resid 95 and name HN ) 3.0 1.2 0.5 ! A.151 at 4.58e+05 assign (resid 94 and name HB# ) (resid 95 and name HN ) 3.0 1.2 0.9 ! A.869 at 6.08e+05 assign (resid 95 and name HN ) (resid 96 and name HN ) 3.0 1.2 0.5 ! A.867 at 3.27e+05 assign (resid 95 and name HB1 ) (resid 96 and name HN ) 4.0 2.2 1.0 ! A.935 at 1.62e+05 assign (resid 95 and name HA ) (resid 96 and name HN ) 3.0 1.2 0.5 ! A.939 at 2.62e+05 assign (resid 96 and name HG# ) (resid 97 and name HN ) 4.0 2.2 1.0 ! A.1742 at 8.40e+04 assign (resid 96 and name HA ) (resid 97 and name HN ) 4.0 2.2 1.0 ! A.822 at 1.50e+05 assign (resid 96 and name HN ) (resid 97 and name HN ) 3.0 1.2 0.5 ! A.828 at 2.79e+05 assign (resid 96 and name HB# ) (resid 97 and name HN ) 3.0 1.2 0.9 ! A.1575 at 4.47e+05 assign (resid 97 and name HB# ) (resid 98 and name HN ) 2.5 0.7 0.9 ! A.1850 at 1.84e+06 assign (resid 97 and name HN ) (resid 98 and name HN ) 2.5 0.7 0.4 ! A.1847 at 6.72e+05 assign (resid 97 and name HA ) (resid 98 and name HN ) 3.0 1.2 0.5 ! A.732 at 4.51e+05 assign (resid 98 and name HB# ) (resid 99 and name HN ) 2.5 0.7 0.9 ! A.1907 at 8.47e+05 assign (resid 98 and name HN ) (resid 99 and name HN ) 3.0 1.2 0.5 ! A.663 at 4.56e+05 assign (resid 99 and name HB# ) (resid 100 and name HN ) 3.0 1.2 0.5 ! A.875 at 5.67e+05 assign (resid 99 and name HA ) (resid 100 and name HN ) 4.0 2.2 1.0 ! A.886 at 2.29e+05 assign (resid 100 and name HN ) (resid 101 and name HN ) 3.0 1.2 0.5 ! A.897 at 3.29e+05 assign (resid 100 and name HA ) (resid 101 and name HN ) 4.0 2.2 1.0 ! A.993 at 1.48e+05 assign (resid 100 and name HB# ) (resid 101 and name HN ) 3.0 1.2 0.5 ! A.991 at 4.49e+05 assign (resid 100 and name HE2# ) (resid 101 and name HN ) 4.0 2.2 1.0 ! A.997 at 9.07e+04 assign (resid 101 and name HN ) (resid 102 and name HN ) 2.5 0.7 0.4 ! A.996 at 9.67e+05 assign (resid 101 and name HA ) (resid 102 and name HN ) 4.0 2.2 1.0 ! A.1210 at 1.57e+05 assign (resid 101 and name HB# ) (resid 102 and name HN ) 3.0 1.2 0.9 ! A.1219 at 4.33e+05 assign (resid 101 and name HG# ) (resid 102 and name HN ) 4.0 2.2 1.5 ! A.1230 at 1.08e+05 assign (resid 102 and name HN ) (resid 103 and name HN ) 3.0 1.2 0.5 ! A.219 at 3.67e+05 assign (resid 102 and name HA ) (resid 103 and name HN ) 4.0 2.2 1.0 ! A.244 at 1.50e+05 assign (resid 102 and name HN ) (resid 103 and name HD1# ) 4.0 2.2 1.5 ! A.1228 at 1.51e+05 assign (resid 103 and name HN ) (resid 104 and name HN ) 3.0 1.2 0.5 ! A.216 at 4.85e+05 assign (resid 103 and name HN ) (resid 104 and name HB# ) 3.0 1.2 1.0 ! A.215 at 2.88e+05 assign (resid 103 and name HG ) (resid 104 and name HN ) 4.0 2.2 1.0 ! A.1717 at 1.31e+05 assign (resid 103 and name HB# ) (resid 104 and name HN ) 4.0 2.2 1.5 ! A.562 at 1.80e+05 assign (resid 103 and name HB2 ) (resid 104 and name HN ) 3.0 1.2 0.5 ! A.571 at 3.03e+05 assign (resid 103 and name HD2# ) (resid 104 and name HN ) 4.0 2.2 1.5 ! A.573 at 2.67e+05 assign (resid 103 and name HA ) (resid 104 and name HN ) 4.0 2.2 1.0 ! A.580 at 1.89e+05 assign (resid 104 and name HN ) (resid 105 and name HN ) 3.0 1.2 0.5 ! A.574 at 5.53e+05 assign (resid 104 and name HA ) (resid 105 and name HN ) 4.0 2.2 1.0 ! A.1089 at 1.95e+05 assign (resid 105 and name HN ) (resid 106 and name HN ) 3.0 1.2 0.5 ! A.786 at 6.33e+05 assign (resid 106 and name HN ) (resid 107 and name HN ) 3.0 1.2 0.5 ! A.1852 at 4.11e+05 assign (resid 106 and name HN ) (resid 107 and name HD* ) 4.0 2.2 1.5 ! A.789 at 9.86e+04 assign (resid 106 and name HA ) (resid 107 and name HN ) 4.0 2.2 1.0 ! A.1384 at 1.70e+05 assign (resid 107 and name HD* ) (resid 108 and name HN ) 4.0 2.2 1.5 ! A.337 at 1.55e+05 assign (resid 107 and name HN ) (resid 108 and name HN ) 2.5 0.7 0.4 ! A.359 at 6.82e+05 assign (resid 107 and name HB# ) (resid 108 and name HN ) 4.0 2.2 1.5 ! A.361 at 1.96e+05 assign (resid 107 and name HA ) (resid 108 and name HN ) 4.0 2.2 1.0 ! A.2048 at 1.57e+05 assign (resid 108 and name HN ) (resid 109 and name HE2# ) 4.0 2.2 1.0 ! A.357 at 6.79e+04 assign (resid 108 and name HN ) (resid 109 and name HN ) 3.0 1.2 0.5 ! A.360 at 5.28e+05 assign (resid 108 and name HB# ) (resid 109 and name HN ) 3.0 1.2 1.0 ! A.1289 at 2.53e+05 assign (resid 108 and name HA ) (resid 109 and name HN ) 2.5 0.7 0.4 ! A.1297 at 8.30e+05 assign (resid 110 and name HA ) (resid 111 and name HN ) 4.0 2.2 1.0 ! A.1592 at 1.14e+05 assign (resid 110 and name HB# ) (resid 111 and name HN ) 4.0 2.2 1.5 ! A.1461 at 2.07e+05 assign (resid 111 and name HB# ) (resid 112 and name HN ) 3.0 1.2 1.0 ! A.288 at 3.80e+05 assign (resid 111 and name HA ) (resid 112 and name HN ) 2.5 0.7 0.4 ! A.1923 at 1.52e+06 assign (resid 111 and name HN ) (resid 112 and name HN ) 4.0 2.2 1.0 ! A.299 at 7.78e+04 assign (resid 112 and name HN ) (resid 113 and name HD# ) 4.0 2.2 1.5 ! A.296 at 9.39e+04 assign (resid 113 and name HA ) (resid 114 and name HN ) 2.5 0.7 0.4 ! A.593 at 1.08e+06 assign (resid 114 and name HB# ) (resid 115 and name HN ) 3.0 1.2 1.0 ! A.832 at 2.98e+05 assign (resid 114 and name HA ) (resid 115 and name HN ) 2.5 0.7 0.4 ! A.839 at 8.87e+05 assign (resid 114 and name HD* ) (resid 115 and name HN ) 3.0 1.2 1.0 ! A.849 at 2.88e+05 assign (resid 115 and name HN ) (resid 116 and name HN ) 4.0 2.2 1.0 ! A.196 at 6.26e+04 assign (resid 115 and name HA ) (resid 116 and name HN ) 2.5 0.7 0.4 ! A.199 at 1.77e+06 assign (resid 115 and name HG# ) (resid 116 and name HN ) 4.0 2.2 1.5 ! A.200 at 1.75e+05 assign (resid 115 and name HB# ) (resid 116 and name HN ) 3.0 1.2 0.5 ! A.203 at 2.49e+05 assign (resid 116 and name HD2# ) (resid 117 and name HN ) 4.0 2.2 1.5 ! A.812 at 1.84e+05 assign (resid 116 and name HB# ) (resid 117 and name HN ) 3.0 1.2 1.0 ! A.2000 at 5.69e+05 assign (resid 116 and name HA ) (resid 117 and name HN ) 2.5 0.7 0.4 ! A.817 at 9.51e+05 assign (resid 116 and name HD1# ) (resid 117 and name HN ) 4.0 2.2 1.5 ! A.818 at 1.76e+05 assign (resid 117 and name HB# ) (resid 118 and name HN ) 4.0 2.2 1.5 ! A.47 at 2.09e+05 assign (resid 117 and name HA ) (resid 118 and name HN ) 3.0 1.2 0.5 ! A.53 at 6.07e+05 assign (resid 117 and name HN ) (resid 118 and name HN ) 4.0 2.2 1.0 ! A.54 at 8.36e+04 assign (resid 117 and name HG# ) (resid 118 and name HN ) 4.0 2.2 1.0 ! A.56 at 1.04e+05 assign (resid 118 and name HN ) (resid 119 and name HN ) 4.0 2.2 1.0 ! A.48 at 1.87e+05 assign (resid 118 and name HB1 ) (resid 119 and name HN ) 4.0 2.2 1.0 ! A.238 at 2.38e+05 assign (resid 118 and name HA ) (resid 119 and name HN ) 2.5 0.7 0.4 ! A.237 at 7.19e+05 assign (resid 118 and name HD* ) (resid 119 and name HN ) 3.0 1.2 1.0 ! A.240 at 2.60e+05 assign (resid 118 and name HG ) (resid 119 and name HN ) 4.0 2.2 1.0 ! A.251 at 1.57e+05 assign (resid 119 and name HN ) (resid 120 and name HN ) 4.0 2.2 1.0 ! A.258 at 6.26e+04 assign (resid 119 and name HA ) (resid 120 and name HN ) 2.5 0.7 0.4 ! A.262 at 7.43e+05 assign (resid 119 and name HB# ) (resid 120 and name HN ) 4.0 2.2 1.5 ! A.1571 at 1.33e+05 assign (resid 119 and name HG# ) (resid 120 and name HN ) 4.0 2.2 1.5 ! A.271 at 1.34e+05 assign (resid 120 and name HA ) (resid 121 and name HN ) 3.0 1.2 0.5 ! A.1280 at 6.06e+05 assign (resid 120 and name HB# ) (resid 121 and name HN ) 4.0 2.2 1.5 ! A.1282 at 1.87e+05 assign (resid 121 and name HA# ) (resid 122 and name HN ) 3.0 1.2 0.9 ! A.62 at 4.38e+05 assign (resid 122 and name HN ) (resid 123 and name HN ) 3.0 1.2 0.5 ! A.61 at 3.04e+05 assign (resid 122 and name HB# ) (resid 123 and name HN ) 3.0 1.2 1.0 ! A.885 at 2.85e+05 assign (resid 122 and name HA ) (resid 123 and name HN ) 3.0 1.2 0.5 ! A.893 at 2.42e+05 assign (resid 123 and name HN ) (resid 124 and name HN ) 4.0 2.2 1.0 ! A.126 at 1.04e+05 assign (resid 123 and name HA ) (resid 124 and name HN ) 2.5 0.7 0.4 ! A.133 at 1.91e+06 assign (resid 123 and name HG# ) (resid 124 and name HN ) 4.0 2.2 1.5 ! A.139 at 1.37e+05 assign (resid 124 and name HB# ) (resid 125 and name HN ) 3.0 1.2 0.9 ! A.115 at 2.42e+05 assign (resid 124 and name HA ) (resid 125 and name HN ) 3.0 1.2 0.5 ! A.117 at 3.51e+05 assign (resid 125 and name HN ) (resid 126 and name HN ) 4.0 2.2 1.0 ! A.112 at 1.73e+05 assign (resid 125 and name HD* ) (resid 126 and name HN ) 4.0 2.2 1.5 ! A.1199 at 1.14e+05 assign (resid 125 and name HB# ) (resid 126 and name HN ) 4.0 2.2 1.5 ! A.1234 at 1.52e+05 assign (resid 125 and name HG ) (resid 126 and name HN ) 4.0 2.2 1.0 ! A.1229 at 1.78e+05 assign (resid 125 and name HA ) (resid 126 and name HN ) 4.0 2.2 1.0 ! A.1242 at 1.06e+05 assign (resid 126 and name HA ) (resid 127 and name HN ) 4.0 2.2 1.0 ! A.1138 at 6.05e+04 assign (resid 126 and name HB# ) (resid 127 and name HN ) 4.0 2.2 1.5 ! A.1162 at 1.30e+05 assign (resid 126 and name HN ) (resid 127 and name HN ) 4.0 2.2 1.0 ! A.1168 at 1.25e+05 assign (resid 127 and name HA ) (resid 128 and name HN ) 4.0 2.2 1.0 ! A.1013 at 2.09e+05 assign (resid 127 and name HN ) (resid 128 and name HN ) 3.0 1.2 0.5 ! A.1016 at 3.57e+05 assign (resid 127 and name HB# ) (resid 128 and name HN ) 3.0 1.2 0.9 ! A.1587 at 3.22e+05 assign (resid 128 and name HN ) (resid 129 and name HN ) 3.0 1.2 0.5 ! A.1002 at 6.27e+05 assign (resid 128 and name HB# ) (resid 129 and name HN ) 4.0 2.2 1.0 ! A.1817 at 1.16e+05 assign (resid 128 and name HA ) (resid 129 and name HN ) 4.0 2.2 1.0 ! A.1254 at 2.13e+05 assign (resid 129 and name HD2# ) (resid 130 and name HN ) 4.0 2.2 1.5 ! A.2021 at 6.35e+04 assign (resid 129 and name HN ) (resid 130 and name HN ) 3.0 1.2 0.5 ! A.1026 at 4.53e+05 assign (resid 129 and name HB# ) (resid 130 and name HN ) 4.0 2.2 1.5 ! A.1037 at 1.88e+05 assign (resid 129 and name HA ) (resid 130 and name HN ) 4.0 2.2 1.0 ! A.1046 at 1.83e+05 assign (resid 130 and name HB# ) (resid 131 and name HN ) 3.0 1.2 1.0 ! A.690 at 4.44e+05 assign (resid 130 and name HN ) (resid 131 and name HN ) 3.0 1.2 0.5 ! A.1848 at 4.52e+05 assign (resid 130 and name HA ) (resid 131 and name HN ) 4.0 2.2 1.0 ! A.713 at 2.29e+05 assign (resid 131 and name HN ) (resid 132 and name HN ) 4.0 2.2 1.0 ! A.173 at 2.61e+05 assign (resid 131 and name HB# ) (resid 132 and name HN ) 4.0 2.2 1.5 ! A.177 at 1.47e+05 assign (resid 131 and name HA ) (resid 132 and name HN ) 4.0 2.2 1.0 ! A.182 at 4.56e+04 assign (resid 132 and name HN ) (resid 133 and name HN ) 3.0 1.2 0.5 ! A.179 at 5.01e+05 assign (resid 132 and name HG# ) (resid 133 and name HN ) 4.0 2.2 1.5 ! A.1164 at 1.85e+05 assign (resid 132 and name HA ) (resid 133 and name HN ) 4.0 2.2 1.0 ! A.1177 at 1.73e+05 assign (resid 133 and name HA ) (resid 134 and name HN ) 4.0 2.2 1.0 ! A.518 at 2.13e+05 assign (resid 133 and name HB# ) (resid 134 and name HN ) 3.0 1.2 1.0 ! A.539 at 5.97e+05 assign (resid 133 and name HN ) (resid 134 and name HN ) 3.0 1.2 0.5 ! A.549 at 5.02e+05 assign (resid 133 and name HG# ) (resid 134 and name HN ) 4.0 2.2 1.5 ! A.551 at 1.77e+05 assign (resid 134 and name HN ) (resid 135 and name HN ) 3.0 1.2 0.5 ! A.524 at 5.39e+05 assign (resid 134 and name HB# ) (resid 135 and name HN ) 3.0 1.2 0.5 ! A.1150 at 3.29e+05 assign (resid 135 and name HN ) (resid 136 and name HN ) 3.0 1.2 0.5 ! A.881 at 3.13e+05 assign (resid 135 and name HB# ) (resid 136 and name HN ) 4.0 2.2 1.5 ! A.899 at 1.45e+05 assign (resid 136 and name HN ) (resid 137 and name HN ) 3.0 1.2 0.5 ! A.884 at 2.61e+05 assign (resid 136 and name HB# ) (resid 137 and name HN ) 4.0 2.2 1.5 ! A.1323 at 1.89e+05 assign (resid 136 and name HA ) (resid 137 and name HN ) 4.0 2.2 1.0 ! A.1328 at 1.06e+05 assign (resid 136 and name HG ) (resid 137 and name HN ) 4.0 2.2 1.0 ! A.1332 at 1.21e+05 assign (resid 136 and name HD# ) (resid 137 and name HN ) 4.0 2.2 1.5 ! A.1334 at 1.84e+05 assign (resid 137 and name HA ) (resid 138 and name HN ) 3.0 1.2 0.5 ! A.668 at 4.92e+05 assign (resid 137 and name HN ) (resid 138 and name HN ) 3.0 1.2 0.5 ! A.699 at 5.65e+05 assign (resid 138 and name HB2 ) (resid 139 and name HN ) 4.0 2.2 1.0 ! A.505 at 1.23e+05 assign (resid 138 and name HN ) (resid 139 and name HN ) 4.0 2.2 1.0 ! A.513 at 2.36e+05 assign (resid 138 and name HA ) (resid 139 and name HN ) 3.0 1.2 0.5 ! A.515 at 2.56e+05 assign (resid 139 and name HB ) (resid 140 and name HN ) 4.0 2.2 1.0 ! A.1583 at 1.06e+05 assign (resid 139 and name HN ) (resid 140 and name HN ) 4.0 2.2 1.0 ! A.600 at 9.55e+04 assign (resid 139 and name HA ) (resid 140 and name HN ) 4.0 2.2 1.0 ! A.612 at 6.68e+04 assign (resid 140 and name HN ) (resid 141 and name HN ) 4.0 2.2 1.0 ! A.1845 at 1.01e+05 assign (resid 140 and name HB# ) (resid 141 and name HN ) 3.0 1.2 0.9 ! A.1078 at 2.52e+05 assign (resid 140 and name HA ) (resid 141 and name HN ) 4.0 2.2 1.0 ! A.1077 at 1.48e+05 assign (resid 141 and name HN ) (resid 142 and name HN ) 3.0 1.2 0.5 ! A.959 at 3.46e+05 assign (resid 141 and name HA ) (resid 142 and name HN ) 3.0 1.2 0.5 ! A.967 at 2.89e+05 assign (resid 141 and name HB# ) (resid 142 and name HN ) 3.0 1.2 1.0 ! A.965 at 3.20e+05 assign (resid 142 and name HA ) (resid 143 and name HN ) 2.5 0.7 0.4 ! A.273 at 8.66e+05 assign (resid 142 and name HN ) (resid 143 and name HN ) 4.0 2.2 1.0 ! A.276 at 7.65e+04 assign (resid 142 and name HB# ) (resid 143 and name HN ) 4.0 2.2 1.0 ! A.277 at 1.32e+05 assign (resid 144 and name HB# ) (resid 145 and name HN ) 3.0 1.2 1.0 ! A.632 at 3.45e+05 assign (resid 145 and name HN ) (resid 146 and name HN ) 3.0 1.2 0.5 ! A.630 at 2.95e+05 assign (resid 145 and name HB# ) (resid 146 and name HN ) 3.0 1.2 1.0 ! A.1011 at 2.92e+05 assign (resid 145 and name HA ) (resid 146 and name HN ) 2.5 0.7 0.4 ! A.1012 at 8.23e+05 assign (resid 146 and name HB# ) (resid 147 and name HN ) 3.0 1.2 0.9 ! A.645 at 3.67e+05 assign (resid 146 and name HN ) (resid 147 and name HA ) 4.0 2.2 1.0 ! A.1018 at 9.51e+04 assign (resid 146 and name HN ) (resid 147 and name HN ) 2.5 0.7 0.4 ! A.1762 at 8.52e+05 assign (resid 147 and name HB# ) (resid 148 and name HN ) 3.0 1.2 0.9 ! A.1582 at 4.92e+05 assign (resid 147 and name HA ) (resid 148 and name HN ) 3.0 1.2 0.5 ! A.521 at 1.42e+06 assign (resid 147 and name HD* ) (resid 148 and name HN ) 3.0 1.2 1.0 ! A.533 at 2.44e+05 assign (resid 148 and name HN ) (resid 149 and name HN ) 4.0 2.2 1.0 ! A.190 at 1.17e+05 assign (resid 148 and name HA ) (resid 149 and name HN ) 3.0 1.2 0.5 ! A.191 at 1.14e+06 assign (resid 148 and name HB# ) (resid 149 and name HN ) 3.0 1.2 1.0 ! A.192 at 2.50e+05 assign (resid 148 and name HG# ) (resid 149 and name HN ) 4.0 2.2 1.5 ! A.193 at 9.21e+04 assign (resid 149 and name HB# ) (resid 150 and name HN ) 3.0 1.2 1.0 ! A.157 at 2.63e+05 assign (resid 149 and name HA ) (resid 150 and name HN ) 3.0 1.2 0.5 ! A.159 at 1.13e+06 assign (resid 149 and name HN ) (resid 150 and name HN ) 4.0 2.2 1.0 ! A.165 at 1.12e+05 assign (resid 150 and name HN ) (resid 151 and name HN ) 3.0 1.2 0.5 ! A.163 at 2.52e+05 assign (resid 150 and name HB# ) (resid 151 and name HN ) 2.5 0.7 0.9 ! A.795 at 7.58e+05 assign (resid 151 and name HN ) (resid 152 and name HN ) 3.0 1.2 0.5 ! A.798 at 3.74e+05 assign (resid 151 and name HA ) (resid 152 and name HN ) 3.0 1.2 0.5 ! A.951 at 2.64e+05 assign (resid 151 and name HB# ) (resid 152 and name HN ) 4.0 2.2 1.5 ! A.1965 at 1.53e+05 assign (resid 151 and name HG# ) (resid 152 and name HN ) 4.0 2.2 1.5 ! A.954 at 1.53e+05 assign (resid 152 and name HD1# ) (resid 153 and name HN ) 4.0 2.2 1.5 ! A.462 at 1.59e+05 assign (resid 152 and name HB1 ) (resid 153 and name HN ) 4.0 2.2 1.0 ! A.489 at 2.32e+05 assign (resid 152 and name HB2 ) (resid 153 and name HN ) 3.0 1.2 0.5 ! A.494 at 2.95e+05 assign (resid 152 and name HN ) (resid 153 and name HN ) 3.0 1.2 0.5 ! A.1859 at 3.54e+05 assign (resid 153 and name HN ) (resid 154 and name HG# ) 4.0 2.2 1.0 ! A.457 at 7.64e+04 assign (resid 153 and name HN ) (resid 154 and name HN ) 2.5 0.7 0.4 ! A.1840 at 1.42e+06 assign (resid 153 and name HB# ) (resid 154 and name HN ) 3.0 1.2 0.5 ! A.1599 at 3.59e+05 assign (resid 154 and name HB# ) (resid 155 and name HN ) 3.0 1.2 1.0 ! A.483 at 4.22e+05 assign (resid 154 and name HN ) (resid 155 and name HN ) 2.5 0.7 0.4 ! A.1841 at 1.42e+06 assign (resid 155 and name HN ) (resid 156 and name HN ) 3.0 1.2 0.5 ! A.479 at 4.79e+05 assign (resid 155 and name HB# ) (resid 156 and name HN ) 3.0 1.2 0.9 ! A.912 at 3.20e+05 assign (resid 155 and name HD2# ) (resid 156 and name HN ) 4.0 2.2 1.5 ! A.926 at 8.30e+04 assign (resid 155 and name HA ) (resid 156 and name HN ) 3.0 1.2 0.5 ! A.1749 at 4.27e+05 assign (resid 155 and name HG ) (resid 156 and name HN ) 4.0 2.2 1.0 ! A.937 at 1.38e+05 assign (resid 156 and name HG# ) (resid 157 and name HN ) 3.0 1.2 0.9 ! A.773 at 3.57e+05 assign (resid 156 and name HB# ) (resid 157 and name HN ) 3.0 1.2 0.9 ! A.783 at 4.40e+05 assign (resid 156 and name HN ) (resid 157 and name HN ) 3.0 1.2 0.5 ! A.784 at 6.55e+05 assign (resid 156 and name HA ) (resid 157 and name HN ) 3.0 1.2 0.5 ! A.788 at 3.99e+05 assign (resid 157 and name HN ) (resid 158 and name HN ) 2.5 0.7 0.4 ! A.1983 at 1.20e+06 assign (resid 157 and name HB2 ) (resid 158 and name HN ) 3.0 1.2 0.5 ! A.1984 at 4.12e+05 assign (resid 157 and name HB1 ) (resid 158 and name HN ) 3.0 1.2 0.5 ! A.1985 at 4.32e+05 assign (resid 157 and name HA ) (resid 158 and name HN ) 3.0 1.2 0.5 ! A.378 at 3.42e+05 assign (resid 158 and name HN ) (resid 159 and name HB# ) 4.0 2.2 1.0 ! A.368 at 1.23e+05 assign (resid 158 and name HN ) (resid 159 and name HN ) 3.0 1.2 0.5 ! A.1980 at 3.03e+05 assign (resid 158 and name HA ) (resid 159 and name HN ) 3.0 1.2 0.5 ! A.1924 at 2.98e+05 assign (resid 158 and name HB# ) (resid 159 and name HN ) 2.5 0.7 0.9 ! A.1033 at 8.35e+05 assign (resid 159 and name HN ) (resid 160 and name HN ) 2.5 0.7 0.4 ! A.834 at 8.58e+05 assign (resid 159 and name HG ) (resid 160 and name HN ) 4.0 2.2 1.0 ! A.848 at 5.71e+05 assign (resid 160 and name HN ) (resid 161 and name HN ) 2.5 0.7 0.4 ! A.851 at 9.16e+05 assign (resid 160 and name HB# ) (resid 161 and name HN ) 3.0 1.2 1.0 ! A.1184 at 6.09e+05 assign (resid 160 and name HA ) (resid 161 and name HN ) 3.0 1.2 0.5 ! A.1185 at 5.80e+05 assign (resid 160 and name HB# ) (resid 161 and name HD2# ) 4.0 2.2 1.5 ! A.1942 at 4.99e+04 assign (resid 161 and name HN ) (resid 162 and name HN ) 2.5 0.7 0.4 ! A.519 at 7.38e+05 assign (resid 161 and name HB# ) (resid 162 and name HN ) 4.0 2.2 1.5 ! A.526 at 2.28e+05 assign (resid 161 and name HA ) (resid 162 and name HN ) 3.0 1.2 0.5 ! A.527 at 5.36e+05 assign (resid 162 and name HN ) (resid 163 and name HN ) 3.0 1.2 0.5 ! A.523 at 4.07e+05 assign (resid 162 and name HB# ) (resid 163 and name HN ) 3.0 1.2 0.5 ! A.673 at 2.81e+05 assign (resid 162 and name HD* ) (resid 163 and name HN ) 4.0 2.2 1.5 ! A.677 at 8.69e+04 assign (resid 163 and name HA ) (resid 164 and name HN ) 3.0 1.2 0.5 ! A.934 at 2.74e+05 assign (resid 165 and name HA# ) (resid 166 and name HN ) 4.0 2.2 1.5 ! A.1278 at 9.35e+04 assign (resid 167 and name HA# ) (resid 168 and name HN ) 4.0 2.2 1.5 ! A.209 at 1.86e+05 assign (resid 168 and name HA ) (resid 169 and name HN ) 3.0 1.2 0.5 ! A.119 at 3.09e+05
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