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 |
|
|
15800 |
1yyj   |
6560 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! ! A1 assign (resid 1 and name HA ) (resid 2 and name HN ) 2.5 0.7 0.4 ! A.548 at 8.72e+06 assign (resid 1 and name HA ) (resid 3 and name HN ) 4.5 2.2 2.0 ! A.117 at 1.41e+05 assign (resid 1 and name HA ) (resid 4 and name HN ) 4.5 2.2 2.0 ! A.1232 at 1.46e+05 assign (resid 1 and name HB# ) (resid 5 and name HN ) 4.5 2.2 2.5 ! A.672 at 5.20e+05 assign (resid 1 and name HA ) (resid 5 and name HN ) 4.5 2.2 2.0 ! A.667 at 3.16e+05 ! D2 assign (resid 2 and name HB2 ) (resid 2 and name HN ) 2.5 0.7 0.4 ! A.550 at 1.12e+07 assign (resid 2 and name HB2 ) (resid 3 and name HN ) 2.5 0.7 0.4 ! A.119 at 6.29e+06 assign (resid 2 and name HA ) (resid 3 and name HN ) 3.5 1.2 0.5 ! A.115 at 4.18e+06 assign (resid 2 and name HN ) (resid 3 and name HN ) 4.5 2.2 2.0 ! A.111 at 2.21e+05 assign (resid 2 and name HN ) (resid 3 and name HD1# ) 4.5 2.2 2.5 ! A.554 at 2.23e+05 assign (resid 2 and name HN ) (resid 3 and name HG ) 3.5 1.2 1.5 ! A.553 at 3.61e+06 assign (resid 2 and name HN ) (resid 3 and name HD2# ) 4.5 2.2 2.5 ! A.555 at 2.07e+05 assign (resid 2 and name HN ) (resid 5 and name HN ) 4.5 2.2 2.0 ! A.660 at 2.25e+05 assign (resid 2 and name HN ) (resid 6 and name HN ) 4.5 2.2 2.0 ! A.546 at 1.09e+05 ! L3 assign (resid 3 and name HB2 ) (resid 3 and name HN ) 4.5 2.2 2.0 ! A.125 at 2.44e+05 assign (resid 3 and name HB1 ) (resid 3 and name HN ) 3.5 1.2 0.5 ! A.124 at 3.88e+06 assign (resid 3 and name HD2# ) (resid 3 and name HN ) 3.5 1.2 1.0 ! A.129 at 1.66e+06 assign (resid 3 and name HG ) (resid 3 and name HN ) 2.5 0.7 0.4 ! A.127 at 8.05e+06 assign (resid 3 and name HD1# ) (resid 3 and name HN ) 4.0 2.2 1.5 ! A.128 at 1.42e+06 assign (resid 3 and name HN ) (resid 4 and name HB1 ) 4.5 2.2 2.0 ! A.122 at 6.74e+05 assign (resid 3 and name HN ) (resid 4 and name HA ) 4.5 2.2 2.0 ! A.116 at 2.49e+05 assign (resid 3 and name HN ) (resid 4 and name HB2 ) 4.5 2.2 2.0 ! A.123 at 3.57e+05 assign (resid 3 and name HD1# ) (resid 4 and name HN ) 4.5 2.2 2.5 ! A.1242 at 6.16e+05 assign (resid 3 and name HD2# ) (resid 4 and name HN ) 4.5 2.2 2.5 ! A.1243 at 5.88e+05 assign (resid 3 and name HA ) (resid 4 and name HN ) 4.0 2.2 1.0 ! A.1233 at 9.05e+05 assign (resid 3 and name HG ) (resid 4 and name HN ) 3.5 1.2 0.5 ! A.1241 at 1.98e+06 assign (resid 3 and name HB2 ) (resid 4 and name HN ) 3.5 1.2 0.5 ! A.1240 at 3.39e+06 assign (resid 3 and name HN ) (resid 5 and name HN ) 2.5 0.7 0.4 ! A.662 at 4.63e+06 assign (resid 3 and name HB1 ) (resid 5 and name HN ) 4.5 2.2 2.0 ! A.671 at 3.17e+05 assign (resid 3 and name HA ) (resid 5 and name HN ) 4.5 2.2 2.0 ! A.668 at 2.02e+05 assign (resid 3 and name HN ) (resid 6 and name HB1 ) 4.5 2.2 2.0 ! A.120 at 3.25e+05 assign (resid 3 and name HN ) (resid 6 and name HN ) 4.5 2.2 2.0 ! A.113 at 1.91e+05 assign (resid 3 and name HD2# ) (resid 6 and name HN ) 4.5 2.2 2.5 ! A.716 at 2.62e+05 assign (resid 3 and name HA ) (resid 6 and name HD22 ) 4.5 2.2 2.0 ! A.1411 at 2.77e+05 assign (resid 3 and name HA ) (resid 6 and name HN ) 4.0 2.2 1.0 ! A.696 at 9.26e+05 assign (resid 3 and name HA ) (resid 6 and name HD21 ) 4.5 2.2 2.0 ! A.1410 at 6.36e+05 assign (resid 3 and name HA ) (resid 7 and name HN ) 4.5 2.2 2.0 ! A.618 at 6.84e+05 assign (resid 3 and name HD2# ) (resid 43 and name HN ) 4.5 2.2 2.5 ! A.140 at 7.27e+05 assign (resid 3 and name HD2# ) (resid 44 and name HN ) 4.5 2.2 2.5 ! A.1297 at 4.79e+05 ! E4 assign (resid 4 and name HB1 ) (resid 4 and name HN ) 3.0 0.7 0.5 ! A.1238 at 1.10e+07 C assign (resid 4 and name HB2 ) (resid 4 and name HN ) 4.5 2.2 2.0 ! A.1239 at 3.71e+05 assign (resid 4 and name HG2 ) (resid 4 and name HN ) 2.5 0.7 0.4 ! A.1237 at 6.85e+06 assign (resid 4 and name HN ) (resid 5 and name HN ) 3.5 1.2 0.5 ! A.1228 at 4.47e+06 assign (resid 4 and name HB2 ) (resid 5 and name HN ) 2.5 0.7 0.4 ! A.639 at 4.94e+06 assign (resid 4 and name HN ) (resid 5 and name HB1 ) 3.5 1.2 0.5 ! A.1235 at 2.21e+06 assign (resid 4 and name HN ) (resid 6 and name HN ) 4.5 2.2 2.0 ! A.1227 at 5.41e+05 assign (resid 4 and name HA ) (resid 6 and name HD21 ) 4.5 2.2 2.0 ! A.1406 at 4.71e+05 assign (resid 4 and name HA ) (resid 7 and name HN ) 3.5 1.2 0.5 ! A.600 at 2.47e+06 assign (resid 4 and name HN ) (resid 7 and name HD1 ) 4.5 2.2 2.0 ! A.1229 at 1.63e+05 assign (resid 4 and name HN ) (resid 7 and name HB2 ) 4.5 2.2 2.0 ! A.1234 at 1.29e+05 ! D5 assign (resid 5 and name HB1 ) (resid 5 and name HN ) 2.5 0.7 0.4 ! A.638 at 8.93e+06 assign (resid 5 and name HN ) (resid 6 and name HN ) 3.5 1.2 0.5 ! A.664 at 3.71e+06 assign (resid 5 and name HN ) (resid 6 and name HB2 ) 4.5 2.2 2.0 ! A.670 at 3.03e+05 assign (resid 5 and name HB1 ) (resid 6 and name HN ) 2.5 0.7 0.4 ! A.699 at 4.67e+06 assign (resid 5 and name HN ) (resid 7 and name HB2 ) 4.5 2.2 2.0 ! A.669 at 2.85e+05 assign (resid 5 and name HN ) (resid 7 and name HN ) 4.5 2.2 2.0 ! A.661 at 2.09e+05 assign (resid 5 and name HN ) (resid 7 and name HD1 ) 4.5 2.2 2.0 ! A.665 at 2.47e+05 assign (resid 5 and name HB1 ) (resid 7 and name HN ) 4.5 2.2 2.0 ! A.620 at 2.11e+05 assign (resid 5 and name HA ) (resid 8 and name HN ) 3.5 1.2 0.5 ! A.680 at 2.21e+06 ! N6 assign (resid 6 and name HB2 ) (resid 6 and name HN ) 3.5 1.2 0.5 ! A.715 at 4.10e+06 assign (resid 6 and name HB1 ) (resid 6 and name HN ) 2.5 0.7 0.4 ! A.714 at 5.02e+06 assign (resid 6 and name HD21 ) (resid 6 and name HN ) 3.0 0.7 0.6 ! A.710 at 5.27e+06 C assign (resid 6 and name HD22 ) (resid 6 and name HN ) 4.5 2.2 2.0 ! A.712 at 1.91e+05 assign (resid 6 and name HA ) (resid 6 and name HD21 ) 4.5 2.2 2.0 ! A.1404 at 1.82e+05 assign (resid 6 and name HB1 ) (resid 6 and name HD22 ) 4.0 2.2 1.0 ! A.1418 at 1.28e+06 assign (resid 6 and name HB2 ) (resid 6 and name HD22 ) 4.0 2.2 1.0 ! A.1420 at 1.36e+06 assign (resid 6 and name HB2 ) (resid 6 and name HD21 ) 3.5 1.2 0.5 ! A.1419 at 2.01e+06 assign (resid 6 and name HA ) (resid 6 and name HD22 ) 4.0 2.2 1.0 ! A.1405 at 8.82e+05 assign (resid 6 and name HB1 ) (resid 6 and name HD21 ) 3.5 1.2 0.5 ! A.1417 at 1.67e+06 assign (resid 6 and name HD22 ) (resid 7 and name HD1 ) 4.5 2.2 2.0 ! A.1400 at 4.90e+05 assign (resid 6 and name HD21 ) (resid 7 and name HB2 ) 4.5 2.2 2.0 ! A.1415 at 1.75e+05 assign (resid 6 and name HD21 ) (resid 7 and name HA ) 4.5 2.2 2.0 ! A.1402 at 2.39e+05 assign (resid 6 and name HD22 ) (resid 7 and name HA ) 4.5 2.2 2.0 ! A.1403 at 2.64e+05 assign (resid 6 and name HD22 ) (resid 7 and name HB2 ) 4.5 2.2 2.0 ! A.1416 at 3.57e+05 assign (resid 6 and name HN ) (resid 7 and name HN ) 3.5 1.2 0.5 ! A.706 at 2.96e+06 assign (resid 6 and name HD22 ) (resid 7 and name HN ) 4.5 2.2 2.0 ! A.1394 at 3.27e+05 assign (resid 6 and name HD21 ) (resid 8 and name HN ) 4.5 2.2 2.0 ! A.1396 at 2.51e+05 assign (resid 6 and name HD21 ) (resid 9 and name HN ) 4.5 2.2 2.0 ! A.865 at 2.63e+05 assign (resid 6 and name HD21 ) (resid 9 and name HB ) 4.5 2.2 2.0 ! A.1407 at 4.44e+05 assign (resid 6 and name HN ) (resid 9 and name HN ) 4.5 2.2 2.0 ! A.707 at 2.09e+05 assign (resid 6 and name HA ) (resid 9 and name HN ) 3.5 1.2 0.5 ! A.867 at 3.09e+06 assign (resid 6 and name HA ) (resid 10 and name HN ) 4.5 2.2 2.0 ! A.173 at 6.89e+05 assign (resid 6 and name HD21 ) (resid 10 and name HN ) 4.5 2.2 2.0 ! A.1395 at 9.11e+04 assign (resid 6 and name HD22 ) (resid 10 and name HD2# ) 4.0 2.2 1.5 ! A.1429 at 1.24e+06 assign (resid 6 and name HD22 ) (resid 10 and name HB2 ) 4.5 2.2 2.0 ! A.1422 at 3.50e+05 assign (resid 6 and name HD22 ) (resid 10 and name HD1# ) 4.5 2.2 2.5 ! A.1428 at 2.69e+05 assign (resid 6 and name HD22 ) (resid 11 and name HN ) 4.5 2.2 2.0 ! A.1167 at 3.66e+05 assign (resid 6 and name HD22 ) (resid 36 and name HB# ) 4.5 2.2 2.5 ! A.1312 at 5.23e+05 assign (resid 6 and name HD21 ) (resid 36 and name HB# ) 4.5 2.2 2.5 ! A.1426 at 7.43e+05 assign (resid 6 and name HD22 ) (resid 37 and name HA ) 4.5 2.2 2.0 ! A.1412 at 1.45e+05 assign (resid 6 and name HD22 ) (resid 40 and name HB# ) 4.5 2.2 2.5 ! A.1431 at 2.62e+05 assign (resid 6 and name HD21 ) (resid 40 and name HB# ) 4.5 2.2 2.5 ! A.1430 at 4.63e+05 assign (resid 6 and name HD22 ) (resid 40 and name HA ) 4.5 2.2 2.0 ! A.1414 at 2.83e+05 ! W7 assign (resid 7 and name HD1 ) (resid 7 and name HN ) 4.5 2.2 2.0 ! A.615 at 4.69e+05 assign (resid 7 and name HB# ) (resid 7 and name HN ) 2.5 0.7 0.9 ! A.619 at 9.21e+06 assign (resid 7 and name HB2 ) (resid 8 and name HN ) 4.5 2.2 2.0 ! A.685 at 2.34e+05 assign (resid 7 and name HB1 ) (resid 8 and name HN ) 3.5 1.2 0.5 ! A.684 at 4.22e+06 assign (resid 7 and name HA ) (resid 8 and name HN ) 4.5 2.2 2.0 ! A.679 at 3.10e+05 assign (resid 7 and name HA ) (resid 9 and name HN ) 3.5 1.2 0.5 ! A.866 at 2.00e+06 assign (resid 7 and name HB2 ) (resid 9 and name HN ) 4.5 2.2 2.0 ! A.871 at 2.72e+05 assign (resid 7 and name HB1 ) (resid 9 and name HN ) 4.5 2.2 2.0 ! A.871 at 2.72e+05 assign (resid 7 and name HA ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.172 at 1.29e+06 assign (resid 7 and name HA ) (resid 11 and name HN ) 3.0 0.7 0.6 ! A.1168 at 6.70e+06 OC ! E8 assign (resid 8 and name HB1 ) (resid 8 and name HN ) 2.5 0.7 0.4 ! A.688 at 1.26e+07 assign (resid 8 and name HB2 ) (resid 8 and name HN ) 2.5 0.7 0.4 ! A.689 at 1.24e+07 assign (resid 8 and name HG2 ) (resid 8 and name HN ) 3.5 1.2 0.5 ! A.687 at 3.40e+06 assign (resid 8 and name HN ) (resid 9 and name HA ) 4.5 2.2 2.0 ! A.683 at 2.64e+05 assign (resid 8 and name HB1 ) (resid 9 and name HN ) 2.5 0.7 0.4 ! A.876 at 6.75e+06 assign (resid 8 and name HN ) (resid 9 and name HN ) 3.5 1.2 0.5 ! A.674 at 3.91e+06 assign (resid 8 and name HG# ) (resid 9 and name HN ) 4.0 2.2 1.5 ! A.875 at 1.25e+06 assign (resid 8 and name HB2 ) (resid 9 and name HN ) 3.5 1.2 0.5 ! A.851 at 1.58e+06 assign (resid 8 and name HA ) (resid 11 and name HD22 ) 4.5 2.2 2.0 ! A.1579 at 3.67e+05 assign (resid 8 and name HN ) (resid 11 and name HB2 ) 4.0 1.2 1.0 ! A.686 at 1.56e+06 assign (resid 8 and name HN ) (resid 11 and name HN ) 4.0 2.2 1.0 ! A.1165 at 1.17e+06 assign (resid 8 and name HA ) (resid 11 and name HN ) 3.5 1.2 0.5 ! A.1150 at 1.90e+06 assign (resid 8 and name HB# ) (resid 11 and name HN ) 4.0 2.2 1.5 ! A.1172 at 1.48e+06 assign (resid 8 and name HA ) (resid 11 and name HD21 ) 4.5 2.2 2.0 ! A.1578 at 5.41e+05 assign (resid 8 and name HG2 ) (resid 12 and name HN ) 4.0 2.2 1.0 ! A.472 at 8.74e+05 assign (resid 8 and name HB1 ) (resid 12 and name HN ) 4.5 2.2 2.0 ! A.473 at 3.82e+05 assign (resid 8 and name HB2 ) (resid 12 and name HN ) 4.5 2.2 2.0 ! A.474 at 1.71e+05 assign (resid 8 and name HN ) (resid 12 and name HN ) 4.5 2.2 2.0 ! A.673 at 3.85e+05 ! T9 assign (resid 9 and name HG2# ) (resid 9 and name HN ) 3.5 1.2 1.0 ! A.879 at 2.71e+06 assign (resid 9 and name HB ) (resid 9 and name HN ) 2.5 0.7 0.4 ! A.868 at 8.69e+06 assign (resid 9 and name HN ) (resid 10 and name HN ) 2.5 0.7 0.4 ! A.863 at 5.00e+06 assign (resid 9 and name HB ) (resid 10 and name HN ) 3.5 1.2 0.5 ! A.174 at 3.59e+06 assign (resid 9 and name HN ) (resid 10 and name HB2 ) 4.5 2.2 2.0 ! A.877 at 6.25e+05 assign (resid 9 and name HN ) (resid 11 and name HB1 ) 4.5 2.2 2.0 ! A.873 at 3.18e+05 assign (resid 9 and name HA ) (resid 11 and name HN ) 3.5 1.2 0.5 ! A.1151 at 1.79e+06 assign (resid 9 and name HA ) (resid 12 and name HN ) 3.5 1.2 0.5 ! A.468 at 1.84e+06 assign (resid 9 and name HN ) (resid 12 and name HB1 ) 4.5 2.2 2.0 ! A.872 at 1.59e+05 assign (resid 9 and name HG2# ) (resid 13 and name HN ) 3.5 1.2 1.0 ! A.1070 at 1.64e+06 assign (resid 9 and name HG2# ) (resid 13 and name HD21 ) 2.5 0.7 0.9 ! A.1455 at 6.03e+06 assign (resid 9 and name HG2# ) (resid 13 and name HD22 ) 2.5 0.7 0.9 ! A.1456 at 6.63e+06 assign (resid 9 and name HB ) (resid 13 and name HD21 ) 4.5 2.2 2.0 ! A.1442 at 2.14e+05 assign (resid 9 and name HN ) (resid 36 and name HB# ) 4.0 2.2 1.5 ! A.878 at 9.77e+05 ! L10 assign (resid 10 and name HD1# ) (resid 10 and name HN ) 3.5 1.2 1.0 ! A.183 at 4.19e+06 assign (resid 10 and name HB# ) (resid 10 and name HN ) 2.5 0.7 0.9 ! A.180 at 7.07e+06 assign (resid 10 and name HG ) (resid 10 and name HN ) 4.5 2.2 2.0 ! A.181 at 6.90e+05 assign (resid 10 and name HN ) (resid 11 and name HB2 ) 4.5 2.2 2.0 ! A.178 at 3.10e+05 assign (resid 10 and name HN ) (resid 11 and name HN ) 2.5 0.7 0.4 ! A.168 at 7.36e+06 assign (resid 10 and name HG ) (resid 11 and name HN ) 3.5 1.2 0.5 ! A.1159 at 3.65e+06 assign (resid 10 and name HA ) (resid 11 and name HN ) 3.5 1.2 0.5 ! A.1151 at 1.79e+06 assign (resid 10 and name HB2 ) (resid 11 and name HN ) 4.5 2.2 2.0 ! A.1173 at 6.56e+05 assign (resid 10 and name HN ) (resid 12 and name HN ) 4.5 2.2 2.0 ! A.166 at 2.05e+05 assign (resid 10 and name HG ) (resid 12 and name HN ) 4.5 2.2 2.0 ! A.476 at 4.24e+05 assign (resid 10 and name HB1 ) (resid 12 and name HN ) 4.5 2.2 2.0 ! A.475 at 5.29e+05 assign (resid 10 and name HN ) (resid 13 and name HB# ) 4.0 2.2 1.5 ! A.179 at 1.27e+06 assign (resid 10 and name HN ) (resid 13 and name HD21 ) 4.5 2.2 2.0 ! A.170 at 4.37e+05 assign (resid 10 and name HG ) (resid 13 and name HN ) 4.5 2.2 2.0 ! A.1069 at 6.16e+05 assign (resid 10 and name HA ) (resid 13 and name HN ) 3.5 1.2 0.5 ! A.949 at 1.69e+06 assign (resid 10 and name HB2 ) (resid 13 and name HD21 ) 4.0 2.2 1.0 ! A.1451 at 1.22e+06 assign (resid 10 and name HG ) (resid 13 and name HD21 ) 4.0 2.2 1.0 ! A.1453 at 9.83e+05 assign (resid 10 and name HN ) (resid 36 and name HB# ) 3.5 1.2 1.0 ! A.182 at 4.18e+06 ! N11 assign (resid 11 and name HB2 ) (resid 11 and name HN ) 4.5 2.2 2.0 ! A.1171 at 3.02e+05 assign (resid 11 and name HB1 ) (resid 11 and name HN ) 2.5 0.7 0.4 ! A.1170 at 8.09e+06 assign (resid 11 and name HD21 ) (resid 11 and name HN ) 4.0 2.2 1.0 ! A.1166 at 1.01e+06 assign (resid 11 and name HB2 ) (resid 11 and name HD21 ) 4.5 2.2 2.0 ! A.1584 at 3.73e+05 assign (resid 11 and name HA ) (resid 11 and name HD21 ) 4.5 2.2 2.0 ! A.1575 at 1.70e+05 assign (resid 11 and name HA ) (resid 11 and name HD22 ) 4.5 2.2 2.0 ! A.1576 at 4.02e+05 assign (resid 11 and name HB1 ) (resid 11 and name HD21 ) 3.5 1.2 0.5 ! A.1581 at 4.25e+06 assign (resid 11 and name HB2 ) (resid 11 and name HD22 ) 4.5 2.2 2.0 ! A.1582 at 3.13e+05 assign (resid 11 and name HD22 ) (resid 12 and name HN ) 4.5 2.2 2.0 ! A.1571 at 2.88e+05 assign (resid 11 and name HN ) (resid 12 and name HN ) 3.5 1.2 0.5 ! A.1164 at 4.29e+06 assign (resid 11 and name HD21 ) (resid 12 and name HN ) 4.5 2.2 2.0 ! A.1570 at 2.65e+05 assign (resid 11 and name HD21 ) (resid 12 and name HA ) 4.5 2.2 2.0 ! A.1577 at 3.95e+05 assign (resid 11 and name HN ) (resid 13 and name HB2 ) 4.0 2.2 1.0 ! A.1155 at 1.05e+06 assign (resid 11 and name HN ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.1165 at 1.17e+06 assign (resid 11 and name HA ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.187 at 1.46e+06 assign (resid 11 and name HD21 ) (resid 14 and name HD1# ) 3.5 1.2 1.0 ! A.1587 at 1.98e+06 assign (resid 11 and name HD22 ) (resid 14 and name HD1# ) 4.0 2.2 1.5 ! A.1588 at 1.35e+06 assign (resid 11 and name HD22 ) (resid 14 and name HB2 ) 4.5 2.2 2.0 ! A.1586 at 1.85e+05 assign (resid 11 and name HD21 ) (resid 15 and name HN ) 4.5 2.2 2.0 ! A.767 at 5.78e+05 assign (resid 11 and name HD22 ) (resid 15 and name HN ) 4.5 2.2 2.0 ! A.1574 at 3.69e+05 assign (resid 11 and name HD22 ) (resid 95 and name HE1 ) 3.5 1.2 0.5 ! A.1580 at 2.89e+06 ! D12 assign (resid 12 and name HB2 ) (resid 12 and name HN ) 2.5 0.7 0.4 ! A.471 at 6.30e+06 assign (resid 12 and name HB1 ) (resid 12 and name HN ) 2.5 0.7 0.4 ! A.470 at 1.38e+07 assign (resid 12 and name HN ) (resid 13 and name HN ) 3.5 1.2 0.5 ! A.1056 at 3.78e+06 assign (resid 12 and name HB1 ) (resid 13 and name HN ) 3.5 1.2 0.5 ! A.1062 at 2.70e+06 assign (resid 12 and name HN ) (resid 14 and name HN ) 4.5 2.2 2.0 ! A.184 at 4.56e+05 assign (resid 12 and name HN ) (resid 15 and name HN ) 4.5 2.2 2.0 ! A.766 at 2.73e+05 ! N13 assign (resid 13 and name HD22 ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.1059 at 1.07e+06 assign (resid 13 and name HD21 ) (resid 13 and name HN ) 3.5 1.2 0.5 ! A.1058 at 3.03e+06 assign (resid 13 and name HB1 ) (resid 13 and name HN ) 2.5 0.7 0.4 ! A.1064 at 7.27e+06 assign (resid 13 and name HB2 ) (resid 13 and name HN ) 3.5 1.2 0.5 ! A.1066 at 3.79e+06 assign (resid 13 and name HA ) (resid 13 and name HD21 ) 4.5 2.2 2.0 ! A.1440 at 2.28e+05 assign (resid 13 and name HB1 ) (resid 13 and name HD22 ) 3.5 1.2 0.5 ! A.1447 at 2.52e+06 assign (resid 13 and name HA ) (resid 13 and name HD22 ) 4.5 2.2 2.0 ! A.1441 at 4.06e+05 assign (resid 13 and name HB2 ) (resid 13 and name HD21 ) 3.5 1.2 0.5 ! A.1446 at 3.39e+06 assign (resid 13 and name HB2 ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.192 at 8.84e+05 assign (resid 13 and name HB1 ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.191 at 1.27e+06 assign (resid 13 and name HB1 ) (resid 16 and name HN ) 4.5 2.2 2.0 ! A.744 at 3.24e+05 assign (resid 13 and name HA ) (resid 16 and name HN ) 3.5 1.2 0.5 ! A.738 at 2.80e+06 assign (resid 13 and name HB1 ) (resid 17 and name HN ) 4.5 2.2 2.0 ! A.700 at 4.93e+05 assign (resid 13 and name HB1 ) (resid 30 and name HN ) 4.5 2.2 2.0 ! A.850 at 2.73e+05 assign (resid 13 and name HD22 ) (resid 31 and name HN ) 4.5 2.2 2.0 ! A.1148 at 1.70e+05 assign (resid 13 and name HD21 ) (resid 32 and name HB2 ) 4.5 2.2 2.0 ! A.1452 at 3.70e+05 assign (resid 13 and name HD22 ) (resid 32 and name HB1 ) 3.5 1.2 0.5 ! A.1421 at 1.67e+06 assign (resid 13 and name HD22 ) (resid 32 and name HB2 ) 3.5 1.2 0.5 ! A.1423 at 2.60e+06 assign (resid 13 and name HD22 ) (resid 32 and name HA ) 4.0 2.2 1.0 ! A.1409 at 1.33e+06 assign (resid 13 and name HB2 ) (resid 33 and name HN ) 4.5 2.2 2.0 ! A.725 at 2.26e+05 assign (resid 13 and name HB1 ) (resid 33 and name HN ) 4.5 2.2 2.0 ! A.724 at 2.57e+05 assign (resid 13 and name HD21 ) (resid 33 and name HA ) 4.5 2.2 2.0 ! A.1444 at 1.76e+05 assign (resid 13 and name HD22 ) (resid 33 and name HN ) 4.5 2.2 2.0 ! A.720 at 3.88e+05 assign (resid 13 and name HD21 ) (resid 33 and name HN ) 3.5 1.2 0.5 ! A.709 at 1.81e+06 assign (resid 13 and name HD21 ) (resid 33 and name HB2 ) 4.5 2.2 2.0 ! A.1450 at 3.91e+05 assign (resid 13 and name HD22 ) (resid 33 and name HB1 ) 4.0 2.2 1.0 ! A.1449 at 1.18e+06 assign (resid 13 and name HD21 ) (resid 33 and name HG1 ) 3.5 1.2 0.5 ! A.1448 at 3.72e+06 assign (resid 13 and name HD22 ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.449 at 1.04e+06 assign (resid 13 and name HD22 ) (resid 35 and name HB# ) 4.5 2.2 2.5 ! A.1425 at 6.97e+05 assign (resid 13 and name HD22 ) (resid 36 and name HN ) 3.5 1.2 0.5 ! A.426 at 4.34e+06 assign (resid 13 and name HD21 ) (resid 37 and name HN ) 4.5 2.2 2.0 ! A.1432 at 1.62e+05 ! L14 assign (resid 14 and name HB1 ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.194 at 1.00e+06 assign (resid 14 and name HD1# ) (resid 14 and name HN ) 2.5 0.7 0.9 ! A.199 at 5.24e+06 assign (resid 14 and name HB# ) (resid 14 and name HN ) 2.5 0.7 0.9 ! A.195 at 5.82e+06 assign (resid 14 and name HG ) (resid 14 and name HN ) 2.5 0.7 0.4 ! A.197 at 6.07e+06 assign (resid 14 and name HN ) (resid 15 and name HN ) 2.5 0.7 0.4 ! A.186 at 7.24e+06 assign (resid 14 and name HA ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.695 at 1.40e+06 assign (resid 14 and name HD2# ) (resid 95 and name HN ) 2.5 0.7 0.9 ! A.802 at 5.45e+06 ! K15 assign (resid 15 and name HB1 ) (resid 15 and name HN ) 2.5 0.7 0.4 ! A.771 at 1.73e+07 assign (resid 15 and name HE1 ) (resid 15 and name HN ) 4.5 2.2 2.0 ! A.770 at 3.96e+05 assign (resid 15 and name HG1 ) (resid 15 and name HN ) 4.0 2.2 1.0 ! A.772 at 1.14e+06 assign (resid 15 and name HG2 ) (resid 16 and name HN ) 4.5 2.2 2.0 ! A.749 at 3.24e+05 assign (resid 15 and name HE1 ) (resid 16 and name HN ) 4.5 2.2 2.0 ! A.742 at 3.01e+05 assign (resid 15 and name HG2 ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.704 at 1.18e+06 assign (resid 15 and name HA ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.791 at 1.26e+06 ! V16 assign (resid 16 and name HG2# ) (resid 16 and name HN ) 4.5 2.2 2.5 ! A.752 at 4.39e+05 assign (resid 16 and name HB ) (resid 16 and name HN ) 3.5 1.2 0.5 ! A.746 at 4.33e+06 assign (resid 16 and name HG1# ) (resid 16 and name HN ) 4.0 2.2 1.5 ! A.750 at 1.31e+06 assign (resid 16 and name HN ) (resid 17 and name HA ) 4.5 2.2 2.0 ! A.741 at 2.83e+05 assign (resid 16 and name HN ) (resid 17 and name HN ) 2.5 0.7 0.4 ! A.736 at 1.09e+07 assign (resid 16 and name HA ) (resid 18 and name HN ) 4.5 2.2 2.0 ! A.951 at 1.76e+05 assign (resid 16 and name HA ) (resid 19 and name HN ) 4.5 2.2 2.0 ! A.1274 at 6.58e+05 ! I17 assign (resid 17 and name HB ) (resid 17 and name HN ) 2.5 0.7 0.4 ! A.702 at 1.40e+07 assign (resid 17 and name HG12 ) (resid 17 and name HN ) 2.5 0.7 0.4 ! A.705 at 1.15e+07 assign (resid 17 and name HA ) (resid 18 and name HN ) 4.5 2.2 2.0 ! A.952 at 5.49e+05 assign (resid 17 and name HG11 ) (resid 18 and name HN ) 3.5 1.2 0.5 ! A.801 at 1.80e+06 assign (resid 17 and name HG2# ) (resid 18 and name HN ) 3.5 1.2 1.0 ! A.956 at 1.71e+06 assign (resid 17 and name HG11 ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.1283 at 1.06e+06 assign (resid 17 and name HA ) (resid 19 and name HN ) 4.5 2.2 2.0 ! A.1275 at 2.05e+05 assign (resid 17 and name HG2# ) (resid 19 and name HN ) 4.5 2.2 2.5 ! A.1284 at 3.15e+05 assign (resid 17 and name HA ) (resid 20 and name HN ) 3.5 1.2 0.5 ! A.99 at 1.69e+06 assign (resid 17 and name HG12 ) (resid 20 and name HN ) 4.5 2.2 2.0 ! A.109 at 2.99e+05 !assign (resid 17 and name HA ) (resid 21 and name HN ) 4.5 2.2 2.0 ! A.1204 at 2.32e+05 !assign (resid 17 and name HA ) (resid 22 and name HN ) 4.5 2.2 2.0 ! A.1463 at 1.05e+05 !assign (resid 17 and name HG12 ) (resid 26 and name HN ) 4.5 2.2 2.0 ! A.922 at 3.94e+05 !assign (resid 17 and name HN ) (resid 26 and name HA ) 4.5 2.2 2.0 ! A.697 at 2.17e+05 !assign (resid 17 and name HN ) (resid 29 and name HA ) 4.5 2.2 2.0 ! A.694 at 2.03e+05 !assign (resid 17 and name HG11 ) (resid 29 and name HN ) 4.5 2.2 2.0 ! A.977 at 2.86e+05 assign (resid 17 and name HN ) (resid 29 and name HB# ) 3.5 1.2 1.0 ! A.703 at 4.03e+06 assign (resid 17 and name HG12 ) (resid 29 and name HN ) 4.0 2.2 1.0 ! A.978 at 8.22e+05 assign (resid 17 and name HG2# ) (resid 88 and name HN ) 3.5 1.2 1.0 ! A.1120 at 1.83e+06 assign (resid 17 and name HG2# ) (resid 88 and name HE21 ) 4.5 2.2 2.5 ! A.1363 at 8.00e+05 assign (resid 17 and name HG2# ) (resid 89 and name HN ) 4.0 2.2 1.5 ! A.154 at 1.13e+06 ! E18 assign (resid 18 and name HB2 ) (resid 18 and name HN ) 4.5 2.2 2.0 ! A.954 at 3.43e+05 assign (resid 18 and name HB1 ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.796 at 1.26e+06 assign (resid 18 and name HG1 ) (resid 18 and name HN ) 2.5 0.7 0.4 ! A.953 at 9.04e+06 assign (resid 18 and name HA ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.1273 at 1.17e+06 assign (resid 18 and name HG1 ) (resid 19 and name HN ) 4.5 2.2 2.0 ! A.1277 at 3.06e+05 assign (resid 18 and name HN ) (resid 19 and name HN ) 2.5 0.7 0.4 ! A.1269 at 5.10e+06 assign (resid 18 and name HG2 ) (resid 19 and name HN ) 3.5 1.2 0.5 ! A.1278 at 1.98e+06 assign (resid 18 and name HA ) (resid 20 and name HN ) 4.5 2.2 2.0 ! A.97 at 1.93e+05 assign (resid 18 and name HG2 ) (resid 20 and name HN ) 4.5 2.2 2.0 ! A.102 at 3.58e+05 assign (resid 18 and name HN ) (resid 20 and name HN ) 4.5 2.2 2.0 ! A.90 at 2.72e+05 assign (resid 18 and name HA ) (resid 88 and name HE22 ) 4.0 2.2 1.0 ! A.1375 at 1.22e+06 assign (resid 18 and name HN ) (resid 88 and name HG1 ) 4.0 1.2 1.0 ! A.795 at 1.78e+06 C assign (resid 18 and name HA ) (resid 88 and name HE21 ) 3.5 1.2 0.5 ! A.1289 at 2.32e+06 assign (resid 18 and name HN ) (resid 91 and name HB# ) 4.0 2.2 1.5 ! A.955 at 1.09e+06 ! K19 assign (resid 19 and name HE1 ) (resid 19 and name HN ) 4.5 2.2 2.0 ! A.1276 at 3.26e+05 assign (resid 19 and name HB1 ) (resid 19 and name HN ) 3.5 1.2 0.5 ! A.1280 at 3.44e+06 assign (resid 19 and name HG1 ) (resid 19 and name HN ) 3.5 1.2 0.7 ! A.1282 at 7.98e+06 C assign (resid 19 and name HD1 ) (resid 19 and name HN ) 2.5 0.7 0.4 ! A.1281 at 7.58e+06 assign (resid 19 and name HB1 ) (resid 20 and name HN ) 3.5 1.2 0.5 ! A.103 at 2.04e+06 assign (resid 19 and name HA ) (resid 20 and name HN ) 3.5 1.2 0.5 ! A.95 at 2.89e+06 assign (resid 19 and name HG1 ) (resid 20 and name HN ) 4.5 2.2 2.0 ! A.105 at 4.57e+05 assign (resid 19 and name HN ) (resid 20 and name HN ) 4.5 2.2 2.0 ! A.93 at 5.80e+05 assign (resid 19 and name HN ) (resid 20 and name HA ) 4.5 2.2 2.0 ! A.1272 at 7.39e+05 assign (resid 19 and name HN ) (resid 21 and name HN ) 4.5 2.2 2.0 ! A.1268 at 1.29e+05 assign (resid 19 and name HA ) (resid 21 and name HN ) 4.5 2.2 2.0 ! A.1202 at 6.22e+05 ! A20 assign (resid 20 and name HB# ) (resid 20 and name HN ) 2.5 0.7 0.9 ! A.107 at 2.16e+07 assign (resid 20 and name HN ) (resid 21 and name HN ) 4.5 2.2 2.0 ! A.1196 at 7.17e+05 assign (resid 20 and name HN ) (resid 21 and name HB2 ) 4.5 2.2 2.0 ! A.100 at 2.11e+05 assign (resid 20 and name HA ) (resid 21 and name HN ) 3.0 0.7 0.4 ! A.1203 at 1.85e+07 assign (resid 20 and name HB# ) (resid 21 and name HN ) 2.5 0.7 0.9 ! A.1208 at 6.63e+06 assign (resid 20 and name HN ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.91 at 9.47e+05 assign (resid 20 and name HA ) (resid 22 and name HD22 ) 4.5 2.2 2.0 ! A.1256 at 1.79e+05 assign (resid 20 and name HB# ) (resid 22 and name HN ) 2.5 0.7 0.9 ! A.1454 at 1.04e+07 assign (resid 20 and name HA ) (resid 22 and name HN ) 4.0 1.2 1.0 ! A.1443 at 2.22e+06 !assign (resid 20 and name HA ) (resid 25 and name HE22 ) 4.5 2.2 2.0 ! A.1612 at 3.00e+05 assign (resid 20 and name HB# ) (resid 26 and name HN ) 3.5 1.2 1.0 ! A.918 at 4.01e+06 !assign (resid 20 and name HN ) (resid 88 and name HE21 ) 4.5 2.2 2.0 ! A.89 at 3.16e+05 !assign (resid 20 and name HN ) (resid 88 and name HE22 ) 4.5 2.2 2.0 ! A.1371 at 2.18e+05 ! D21 assign (resid 21 and name HB2 ) (resid 21 and name HN ) 3.5 1.2 0.5 ! A.1206 at 2.20e+06 assign (resid 21 and name HB1 ) (resid 21 and name HN ) 3.5 1.2 0.5 ! A.1205 at 2.83e+06 assign (resid 21 and name HN ) (resid 22 and name HA ) 4.5 2.2 2.0 ! A.1200 at 1.47e+05 assign (resid 21 and name HN ) (resid 22 and name HD22 ) 4.5 2.2 2.0 ! A.1245 at 2.42e+05 assign (resid 21 and name HB2 ) (resid 22 and name HD21 ) 4.0 2.2 1.0 ! A.1260 at 1.49e+06 assign (resid 21 and name HB2 ) (resid 22 and name HD22 ) 3.5 1.2 0.5 ! A.1261 at 2.11e+06 assign (resid 21 and name HA ) (resid 22 and name HD21 ) 4.5 2.2 2.0 ! A.1254 at 3.36e+05 assign (resid 21 and name HN ) (resid 22 and name HN ) 2.5 0.7 0.4 ! A.1195 at 9.81e+06 !assign (resid 21 and name HN ) (resid 25 and name HE22 ) 4.5 2.2 2.0 ! A.1604 at 2.43e+05 assign (resid 21 and name HB2 ) (resid 25 and name HE22 ) 3.5 1.2 0.5 ! A.1617 at 2.38e+06 assign (resid 21 and name HB2 ) (resid 25 and name HE21 ) 3.5 1.2 0.5 ! A.1616 at 3.48e+06 !assign (resid 21 and name HA ) (resid 25 and name HE22 ) 4.5 2.2 2.0 ! A.1610 at 2.86e+05 !assign (resid 21 and name HN ) (resid 88 and name HE21 ) 4.5 2.2 2.0 ! A.1365 at 4.30e+05 !assign (resid 21 and name HA ) (resid 88 and name HE22 ) 4.5 2.2 2.0 ! A.1373 at 4.99e+05 ! N22 assign (resid 22 and name HB2 ) (resid 22 and name HD22 ) 3.5 1.2 0.5 ! A.1259 at 3.89e+06 assign (resid 22 and name HB1 ) (resid 22 and name HD22 ) 4.5 2.2 2.0 ! A.1258 at 2.32e+05 assign (resid 22 and name HD22 ) (resid 22 and name HN ) 4.5 2.2 2.0 ! A.1461 at 5.93e+05 assign (resid 22 and name HB2 ) (resid 22 and name HD21 ) 2.5 0.7 0.4 ! A.1257 at 6.37e+06 assign (resid 22 and name HB2 ) (resid 22 and name HN ) 3.5 1.2 0.5 ! A.1464 at 4.48e+06 assign (resid 22 and name HB1 ) (resid 23 and name HN ) 2.5 0.7 0.4 ! A.284 at 1.08e+07 assign (resid 22 and name HA ) (resid 23 and name HN ) 3.0 0.7 0.4 ! A.280 at 1.67e+07 assign (resid 22 and name HD21 ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.1244 at 8.91e+05 assign (resid 22 and name HN ) (resid 23 and name HN ) 4.5 2.2 2.0 ! A.1458 at 1.24e+05 assign (resid 22 and name HB2 ) (resid 24 and name HN ) 3.5 1.2 0.5 ! A.225 at 3.62e+06 assign (resid 22 and name HA ) (resid 24 and name HN ) 4.5 2.2 2.0 ! A.220 at 5.46e+05 assign (resid 22 and name HD21 ) (resid 24 and name HN ) 4.5 2.2 2.0 ! A.1246 at 3.74e+05 assign (resid 22 and name HD21 ) (resid 24 and name HB# ) 4.0 2.2 1.5 ! A.1267 at 1.21e+06 assign (resid 22 and name HB2 ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.1037 at 4.32e+05 assign (resid 22 and name HD22 ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.1248 at 3.07e+05 assign (resid 22 and name HA ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.1032 at 3.90e+05 assign (resid 22 and name HB1 ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.1036 at 2.70e+05 assign (resid 22 and name HD21 ) (resid 25 and name HB1 ) 4.5 2.2 2.0 ! A.1266 at 6.77e+05 assign (resid 22 and name HD22 ) (resid 25 and name HE22 ) 4.5 2.2 2.0 ! A.1609 at 4.69e+05 assign (resid 22 and name HD22 ) (resid 25 and name HE21 ) 4.5 2.2 2.0 ! A.1251 at 2.51e+05 assign (resid 22 and name HD21 ) (resid 25 and name HG1 ) 4.0 2.2 1.0 ! A.1262 at 1.18e+06 assign (resid 22 and name HD22 ) (resid 25 and name HG1 ) 3.5 1.2 0.5 ! A.1263 at 1.99e+06 assign (resid 22 and name HD22 ) (resid 25 and name HG2 ) 4.5 2.2 2.0 ! A.1265 at 1.91e+05 assign (resid 22 and name HD21 ) (resid 25 and name HG2 ) 4.5 2.2 2.0 ! A.1264 at 2.69e+05 assign (resid 22 and name HD21 ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.1247 at 3.36e+05 assign (resid 22 and name HN ) (resid 25 and name HN ) 4.0 2.2 1.0 ! A.1029 at 1.01e+06 assign (resid 22 and name HN ) (resid 25 and name HE21 ) 4.5 2.2 2.0 ! A.1592 at 3.08e+05 assign (resid 22 and name HN ) (resid 25 and name HE22 ) 4.5 2.2 2.0 ! A.1606 at 4.35e+05 assign (resid 22 and name HN ) (resid 84 and name HG1# ) 4.0 2.2 1.5 ! A.1457 at 1.46e+06 !assign (resid 22 and name HN ) (resid 88 and name HE22 ) 4.5 2.2 2.0 ! A.1370 at 2.37e+05 ! A23 assign (resid 23 and name HB# ) (resid 23 and name HN ) 2.5 0.7 0.9 ! A.287 at 1.96e+07 assign (resid 23 and name HN ) (resid 24 and name HN ) 3.0 0.7 0.6 ! A.278 at 5.20e+06 C assign (resid 23 and name HA ) (resid 24 and name HN ) 3.5 1.2 0.5 ! A.223 at 1.67e+06 assign (resid 23 and name HN ) (resid 24 and name HA ) 4.5 2.2 2.0 ! A.281 at 3.70e+05 assign (resid 23 and name HN ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.1025 at 1.85e+05 assign (resid 23 and name HA ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.1034 at 3.99e+05 assign (resid 23 and name HN ) (resid 26 and name HN ) 4.5 2.2 2.0 ! A.901 at 1.35e+05 assign (resid 23 and name HA ) (resid 26 and name HN ) 3.5 1.2 0.5 ! A.908 at 2.66e+06 assign (resid 23 and name HB# ) (resid 82 and name HN ) 4.5 2.2 2.5 ! A.1710 at 3.56e+05 assign (resid 23 and name HN ) (resid 84 and name HA ) 4.5 2.2 2.0 ! A.283 at 1.89e+05 assign (resid 23 and name HN ) (resid 84 and name HG2# ) 3.5 1.2 1.0 ! A.289 at 1.74e+06 assign (resid 23 and name HN ) (resid 84 and name HG1# ) 4.0 2.2 1.5 ! A.288 at 1.41e+06 assign (resid 23 and name HN ) (resid 84 and name HB ) 4.5 2.2 2.0 ! A.285 at 4.32e+05 assign (resid 23 and name HB# ) (resid 84 and name HN ) 4.5 2.2 2.5 ! A.255 at 7.19e+05 ! A24 assign (resid 24 and name HB# ) (resid 24 and name HN ) 2.5 0.7 0.9 ! A.229 at 3.20e+07 assign (resid 24 and name HN ) (resid 25 and name HG1 ) 4.0 2.2 1.0 ! A.227 at 9.29e+05 assign (resid 24 and name HN ) (resid 25 and name HN ) 2.5 0.7 0.4 ! A.1027 at 7.19e+06 assign (resid 24 and name HB# ) (resid 25 and name HE21 ) 4.5 2.2 2.5 ! A.1623 at 1.59e+05 assign (resid 24 and name HB# ) (resid 25 and name HN ) 2.5 0.7 0.9 ! A.942 at 1.18e+07 assign (resid 24 and name HN ) (resid 26 and name HG2# ) 4.0 2.2 1.5 ! A.230 at 9.63e+05 assign (resid 24 and name HN ) (resid 26 and name HN ) 4.5 2.2 2.0 ! A.903 at 2.28e+05 assign (resid 24 and name HN ) (resid 27 and name HD1 ) 4.5 2.2 2.0 ! A.228 at 5.15e+05 assign (resid 24 and name HN ) (resid 27 and name HE2 ) 4.5 2.2 2.0 ! A.226 at 3.83e+05 assign (resid 24 and name HA ) (resid 27 and name HN ) 3.5 1.2 0.5 ! A.602 at 2.74e+06 assign (resid 24 and name HA ) (resid 80 and name HD22 ) 4.5 2.2 1.5 ! A.1631 at 8.31e+05 C assign (resid 24 and name HN ) (resid 82 and name HA2 ) 4.5 2.2 2.0 ! A.224 at 2.69e+05 assign (resid 24 and name HN ) (resid 84 and name HG2# ) 4.5 2.2 2.5 ! A.231 at 3.25e+05 ! Q25 assign (resid 25 and name HB# ) (resid 25 and name HN ) 3.5 1.2 1.0 ! A.1041 at 3.39e+06 assign (resid 25 and name HG2 ) (resid 25 and name HN ) 4.0 2.2 1.0 ! A.1040 at 1.03e+06 assign (resid 25 and name HE22 ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.1030 at 1.29e+05 assign (resid 25 and name HG1 ) (resid 25 and name HE22 ) 3.5 1.2 0.5 ! A.1619 at 3.12e+06 assign (resid 25 and name HB1 ) (resid 25 and name HE21 ) 4.5 2.2 2.0 ! A.1621 at 7.51e+05 assign (resid 25 and name HN ) (resid 25 and name HE21 ) 4.5 2.2 2.0 ! A.1605 at 2.08e+05 assign (resid 25 and name HB1 ) (resid 25 and name HE22 ) 4.5 2.2 2.0 ! A.1622 at 4.83e+05 assign (resid 25 and name HA ) (resid 25 and name HE21 ) 4.5 2.2 2.0 ! A.1611 at 4.19e+05 assign (resid 25 and name HG2 ) (resid 25 and name HE22 ) 4.5 2.2 2.0 ! A.1620 at 3.51e+05 assign (resid 25 and name HG1 ) (resid 25 and name HN ) 2.5 0.7 0.4 ! A.936 at 1.47e+07 assign (resid 25 and name HG1 ) (resid 25 and name HE21 ) 2.5 0.7 0.4 ! A.1618 at 5.97e+06 assign (resid 25 and name HG1 ) (resid 26 and name HN ) 3.5 1.2 0.5 ! A.913 at 4.06e+06 assign (resid 25 and name HN ) (resid 26 and name HN ) 2.5 0.7 0.4 ! A.928 at 6.99e+06 assign (resid 25 and name HN ) (resid 26 and name HG2# ) 4.5 2.2 2.5 ! A.1042 at 6.86e+05 assign (resid 25 and name HN ) (resid 26 and name HA ) 4.5 2.2 2.0 ! A.1035 at 2.00e+05 assign (resid 25 and name HB1 ) (resid 26 and name HN ) 3.5 1.2 0.5 ! A.916 at 1.54e+06 assign (resid 25 and name HA ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.907 at 1.34e+06 assign (resid 25 and name HN ) (resid 27 and name HN ) 4.5 2.2 2.0 ! A.1026 at 2.29e+05 assign (resid 25 and name HA ) (resid 28 and name HN ) 3.5 1.2 0.5 ! A.484 at 2.85e+06 assign (resid 25 and name HN ) (resid 28 and name HB1 ) 4.5 2.2 2.0 ! A.1038 at 2.69e+05 assign (resid 25 and name HN ) (resid 28 and name HB2 ) 4.0 2.2 1.0 ! A.1039 at 1.01e+06 ! V26 assign (resid 26 and name HG2# ) (resid 26 and name HN ) 3.5 1.2 1.0 ! A.923 at 3.97e+06 assign (resid 26 and name HG1# ) (resid 26 and name HN ) 3.5 1.2 1.0 ! A.921 at 3.98e+06 assign (resid 26 and name HB ) (resid 26 and name HN ) 2.5 0.7 0.4 ! A.915 at 9.35e+06 assign (resid 26 and name HN ) (resid 27 and name HN ) 2.5 0.7 0.4 ! A.902 at 6.21e+06 assign (resid 26 and name HN ) (resid 27 and name HE2 ) 4.5 2.2 2.0 ! A.912 at 3.73e+05 assign (resid 26 and name HN ) (resid 27 and name HG1 ) 4.5 2.2 2.0 ! A.917 at 1.57e+05 assign (resid 26 and name HN ) (resid 28 and name HN ) 4.5 2.2 2.0 ! A.904 at 2.18e+05 assign (resid 26 and name HB ) (resid 28 and name HN ) 4.5 2.2 2.0 ! A.488 at 4.03e+05 assign (resid 26 and name HN ) (resid 28 and name HB2 ) 4.5 2.2 2.0 ! A.911 at 4.33e+05 assign (resid 26 and name HN ) (resid 29 and name HN ) 4.5 2.2 2.0 ! A.966 at 1.17e+05 assign (resid 26 and name HA ) (resid 29 and name HN ) 4.5 2.2 2.0 ! A.970 at 3.11e+05 assign (resid 26 and name HA ) (resid 30 and name HN ) 4.5 2.2 2.0 ! A.848 at 4.02e+05 assign (resid 26 and name HN ) (resid 79 and name HB# ) 4.5 2.2 2.5 ! A.919 at 3.92e+05 assign (resid 26 and name HB ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.783 at 5.53e+05 assign (resid 26 and name HN ) (resid 84 and name HA ) 4.5 2.2 2.0 ! A.910 at 1.98e+05 assign (resid 26 and name HG1# ) (resid 87 and name HN ) 4.5 2.2 2.5 ! A.17 at 3.67e+05 assign (resid 26 and name HG2# ) (resid 88 and name HE22 ) 4.5 2.2 2.5 ! A.1391 at 4.56e+05 ! K27 assign (resid 27 and name HE2 ) (resid 27 and name HN ) 3.5 1.2 0.5 ! A.605 at 2.94e+06 assign (resid 27 and name HG1 ) (resid 27 and name HN ) 2.5 0.7 0.4 ! A.609 at 6.20e+06 assign (resid 27 and name HD1 ) (resid 27 and name HN ) 2.5 0.7 0.4 ! A.608 at 1.17e+07 assign (resid 27 and name HB# ) (resid 27 and name HN ) 2.5 0.7 0.9 ! A.607 at 6.79e+06 assign (resid 27 and name HG1 ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.491 at 1.28e+06 assign (resid 27 and name HD1 ) (resid 28 and name HN ) 3.0 0.7 0.6 ! A.490 at 4.72e+06 C assign (resid 27 and name HB# ) (resid 28 and name HN ) 2.5 0.7 0.9 ! A.489 at 6.62e+06 assign (resid 27 and name HN ) (resid 28 and name HN ) 2.5 0.7 0.4 ! A.597 at 4.56e+06 assign (resid 27 and name HA ) (resid 28 and name HN ) 3.5 1.2 0.5 ! A.485 at 1.56e+06 assign (resid 27 and name HE1 ) (resid 28 and name HN ) 4.5 2.2 2.0 ! A.486 at 5.23e+05 assign (resid 27 and name HN ) (resid 29 and name HN ) 4.5 2.2 2.0 ! A.963 at 2.60e+05 assign (resid 27 and name HA ) (resid 30 and name HN ) 3.5 1.2 0.5 ! A.847 at 2.02e+06 assign (resid 27 and name HN ) (resid 80 and name HD21 ) 4.5 2.2 2.0 ! A.598 at 6.37e+05 assign (resid 27 and name HA ) (resid 80 and name HD21 ) 4.5 2.2 2.0 ! A.1632 at 2.48e+05 assign (resid 27 and name HB1 ) (resid 80 and name HD22 ) 4.5 2.2 2.0 ! A.1639 at 2.61e+05 assign (resid 27 and name HE2 ) (resid 80 and name HD21 ) 4.5 2.2 2.0 ! A.1637 at 1.69e+05 assign (resid 27 and name HB2 ) (resid 80 and name HD22 ) 4.5 2.2 2.0 ! A.1640 at 9.67e+04 assign (resid 27 and name HE2 ) (resid 80 and name HD22 ) 4.5 2.2 2.0 ! A.1638 at 3.51e+05 assign (resid 27 and name HG1 ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.786 at 1.18e+06 assign (resid 27 and name HA ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.781 at 1.10e+06 assign (resid 27 and name HD1 ) (resid 80 and name HD21 ) 3.5 1.2 0.5 ! A.1641 at 1.94e+06 assign (resid 27 and name HG1 ) (resid 80 and name HD22 ) 4.0 1.2 0.5 ! A.1642 at 1.94e+06 ! D28 assign (resid 28 and name HB# ) (resid 28 and name HN ) 2.5 0.7 0.9 ! A.487 at 1.39e+07 assign (resid 28 and name HN ) (resid 29 and name HN ) 4.5 2.2 2.0 ! A.964 at 5.00e+05 assign (resid 28 and name HN ) (resid 29 and name HA ) 4.5 2.2 2.0 ! A.483 at 3.90e+05 assign (resid 28 and name HB2 ) (resid 29 and name HN ) 4.5 2.2 2.0 ! A.971 at 3.94e+05 assign (resid 28 and name HB1 ) (resid 30 and name HN ) 4.5 2.2 2.0 ! A.849 at 3.34e+05 assign (resid 28 and name HN ) (resid 30 and name HN ) 4.5 2.2 2.0 ! A.842 at 5.97e+05 assign (resid 28 and name HN ) (resid 31 and name HB ) 4.5 2.2 2.0 ! A.481 at 3.61e+05 assign (resid 28 and name HN ) (resid 79 and name HB# ) 3.5 1.2 1.0 ! A.492 at 1.86e+06 ! A29 assign (resid 29 and name HB# ) (resid 29 and name HN ) 4.5 2.2 2.5 ! A.975 at 3.03e+05 assign (resid 29 and name HN ) (resid 30 and name HN ) 2.5 0.7 0.4 ! A.843 at 5.31e+06 assign (resid 29 and name HA ) (resid 30 and name HN ) 3.5 1.2 0.5 ! A.845 at 2.03e+06 assign (resid 29 and name HB# ) (resid 31 and name HN ) 4.5 2.2 2.5 ! A.1158 at 5.63e+05 assign (resid 29 and name HN ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.965 at 8.06e+05 ! L30 assign (resid 30 and name HG ) (resid 30 and name HN ) 2.5 0.7 0.4 ! A.857 at 6.71e+06 assign (resid 30 and name HB1 ) (resid 30 and name HN ) 3.5 1.2 0.5 ! A.853 at 4.11e+06 assign (resid 30 and name HB2 ) (resid 30 and name HN ) 2.5 0.7 0.4 ! A.855 at 8.21e+06 assign (resid 30 and name HD2# ) (resid 30 and name HN ) 3.5 1.2 1.0 ! A.860 at 4.10e+06 assign (resid 30 and name HN ) (resid 31 and name HB ) 4.5 2.2 2.0 ! A.844 at 2.11e+05 assign (resid 30 and name HN ) (resid 31 and name HN ) 3.5 1.2 0.5 ! A.1143 at 3.48e+06 assign (resid 30 and name HB1 ) (resid 31 and name HN ) 3.5 1.2 0.5 ! A.1156 at 3.64e+06 assign (resid 30 and name HD2# ) (resid 33 and name HN ) 4.5 2.2 2.5 ! A.734 at 3.02e+05 assign (resid 30 and name HA ) (resid 33 and name HN ) 3.5 1.2 0.5 ! A.721 at 2.32e+06 assign (resid 30 and name HA ) (resid 34 and name HN ) 3.5 1.2 0.5 ! A.449 at 1.60e+06 assign (resid 30 and name HD1# ) (resid 75 and name HN ) 3.5 1.2 1.0 ! A.86 at 2.15e+06 assign (resid 30 and name HD1# ) (resid 79 and name HN ) 3.5 1.2 1.0 ! A.318 at 3.52e+06 assign (resid 30 and name HN ) (resid 79 and name HB# ) 4.0 2.2 1.5 ! A.858 at 1.34e+06 assign (resid 30 and name HD1# ) (resid 80 and name HN ) 4.5 2.2 2.5 ! A.788 at 6.01e+05 ! T31 assign (resid 31 and name HG2# ) (resid 31 and name HN ) 3.5 1.2 1.0 ! A.1160 at 2.07e+06 assign (resid 31 and name HB ) (resid 31 and name HN ) 2.5 0.7 0.4 ! A.1149 at 7.84e+06 assign (resid 31 and name HG2# ) (resid 32 and name HN ) 3.5 1.2 1.0 ! A.139 at 2.72e+06 assign (resid 31 and name HA ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.161 at 9.18e+05 assign (resid 31 and name HN ) (resid 32 and name HN ) 2.5 0.7 0.4 ! A.1146 at 4.78e+06 assign (resid 31 and name HG2# ) (resid 33 and name HN ) 4.5 2.2 2.5 ! A.732 at 2.69e+05 assign (resid 31 and name HA ) (resid 35 and name HN ) 4.5 2.2 2.0 ! A.1049 at 4.66e+05 assign (resid 31 and name HN ) (resid 76 and name HD2# ) 4.0 2.2 1.5 ! A.1163 at 1.17e+06 assign (resid 31 and name HN ) (resid 76 and name HD1# ) 3.5 1.2 1.0 ! A.1161 at 2.42e+06 ! K32 assign (resid 32 and name HB1 ) (resid 32 and name HN ) 3.0 0.7 0.5 ! A.165 at 7.49e+06 C assign (resid 32 and name HE1 ) (resid 32 and name HN ) 4.5 2.2 2.0 ! A.163 at 5.99e+05 assign (resid 32 and name HN ) (resid 33 and name HN ) 3.5 1.2 0.5 ! A.719 at 2.81e+06 assign (resid 32 and name HN ) (resid 33 and name HA ) 4.5 2.2 2.0 ! A.162 at 2.91e+05 assign (resid 32 and name HN ) (resid 33 and name HG1 ) 4.5 2.2 2.0 ! A.164 at 1.91e+05 assign (resid 32 and name HB2 ) (resid 33 and name HN ) 4.5 2.2 2.0 ! A.729 at 7.26e+05 assign (resid 32 and name HG1 ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.730 at 1.46e+06 assign (resid 32 and name HN ) (resid 34 and name HN ) 4.5 2.2 2.0 ! A.447 at 6.13e+05 assign (resid 32 and name HB2 ) (resid 35 and name HN ) 4.5 2.2 2.0 ! A.1052 at 3.12e+05 assign (resid 32 and name HN ) (resid 76 and name HD1# ) 4.0 2.2 1.5 ! A.85 at 9.06e+05 ! M33 assign (resid 33 and name HE# ) (resid 33 and name HN ) 4.5 2.2 2.5 ! A.727 at 2.04e+05 assign (resid 33 and name HG1 ) (resid 33 and name HN ) 3.0 0.7 0.6 ! A.726 at 8.21e+06 C assign (resid 33 and name HB2 ) (resid 33 and name HN ) 2.5 0.7 0.4 ! A.728 at 4.86e+06 assign (resid 33 and name HG1 ) (resid 34 and name HN ) 3.5 1.2 0.5 ! A.453 at 3.14e+06 assign (resid 33 and name HB1 ) (resid 34 and name HN ) 3.5 1.2 0.5 ! A.454 at 2.32e+06 assign (resid 33 and name HN ) (resid 34 and name HN ) 3.5 1.2 0.5 ! A.717 at 1.98e+06 assign (resid 33 and name HN ) (resid 35 and name HN ) 4.5 2.2 2.0 ! A.1044 at 3.19e+05 assign (resid 33 and name HN ) (resid 35 and name HB# ) 3.5 1.2 1.0 ! A.731 at 1.69e+06 assign (resid 33 and name HB2 ) (resid 35 and name HN ) 3.5 1.2 0.5 ! A.1051 at 1.90e+06 assign (resid 33 and name HN ) (resid 72 and name HG2# ) 4.0 2.2 1.5 ! A.735 at 8.84e+05 assign (resid 33 and name HN ) (resid 76 and name HD1# ) 3.5 1.2 1.0 ! A.733 at 2.98e+06 ! R34 assign (resid 34 and name HG1 ) (resid 34 and name HN ) 3.5 1.2 1.0 ! A.456 at 1.01e+06 assign (resid 34 and name HD1 ) (resid 34 and name HN ) 4.5 2.2 2.0 ! A.452 at 5.04e+05 assign (resid 34 and name HN ) (resid 35 and name HN ) 2.5 0.7 0.4 ! A.1043 at 4.53e+06 assign (resid 34 and name HA ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.1050 at 1.05e+06 assign (resid 34 and name HN ) (resid 37 and name HB# ) 3.5 1.2 1.0 ! A.457 at 1.63e+06 assign (resid 34 and name HB1 ) (resid 38 and name HN ) 4.5 2.2 2.0 ! A.1220 at 5.53e+05 assign (resid 34 and name HA ) (resid 38 and name HN ) 4.5 2.2 2.0 ! A.1218 at 4.42e+05 assign (resid 34 and name HE ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.1712 at 1.91e+05 assign (resid 34 and name HH1# ) (resid 70 and name HN ) 4.5 2.2 2.5 ! A.1717 at 2.62e+05 assign (resid 34 and name HE ) (resid 71 and name HN ) 4.5 2.2 2.0 ! A.393 at 2.78e+05 assign (resid 34 and name HE ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.19 at 3.63e+05 assign (resid 34 and name HN ) (resid 72 and name HG2# ) 3.5 1.2 1.0 ! A.459 at 2.06e+06 assign (resid 34 and name HE ) (resid 73 and name HN ) 4.5 2.2 2.0 ! A.258 at 1.11e+05 assign (resid 34 and name HH1# ) (resid 73 and name HN ) 4.5 2.2 2.5 ! A.265 at 1.96e+05 assign (resid 34 and name HN ) (resid 76 and name HD1# ) 2.5 0.7 0.9 ! A.458 at 5.73e+06 ! A35 assign (resid 35 and name HB# ) (resid 35 and name HN ) 2.5 0.7 0.9 ! A.1054 at 1.90e+07 assign (resid 35 and name HN ) (resid 36 and name HN ) 2.5 0.7 0.4 ! A.1045 at 6.76e+06 assign (resid 35 and name HN ) (resid 38 and name HD1# ) 3.5 1.2 1.0 ! A.1055 at 1.70e+06 assign (resid 35 and name HN ) (resid 38 and name HN ) 4.5 2.2 2.0 ! A.1213 at 3.75e+05 assign (resid 35 and name HA ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.1216 at 1.47e+06 ! A36 assign (resid 36 and name HB# ) (resid 36 and name HN ) 2.5 0.7 0.9 ! A.423 at 2.00e+07 assign (resid 36 and name HN ) (resid 37 and name HA ) 4.5 2.2 2.0 ! A.430 at 3.99e+05 assign (resid 36 and name HN ) (resid 37 and name HN ) 2.5 0.7 0.4 ! A.432 at 1.82e+07 assign (resid 36 and name HA ) (resid 39 and name HN ) 2.5 0.7 0.4 ! A.429 at 4.63e+06 ! A37 assign (resid 37 and name HB# ) (resid 37 and name HN ) 2.5 0.7 0.9 ! A.539 at 2.35e+07 assign (resid 37 and name HN ) (resid 38 and name HN ) 2.5 0.7 0.4 ! A.1210 at 5.06e+06 assign (resid 37 and name HN ) (resid 39 and name HN ) 4.5 2.2 2.0 ! A.573 at 1.89e+05 assign (resid 37 and name HN ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.532 at 5.46e+05 assign (resid 37 and name HA ) (resid 40 and name HN ) 3.5 1.2 0.5 ! A.43 at 1.56e+06 assign (resid 37 and name HN ) (resid 40 and name HB# ) 4.0 2.2 1.5 ! A.540 at 8.16e+05 assign (resid 37 and name HN ) (resid 41 and name HN ) 4.5 2.2 2.0 ! A.1482 at 1.36e+05 ! L38 assign (resid 38 and name HG ) (resid 38 and name HN ) 2.5 0.7 0.4 ! A.1223 at 9.48e+06 assign (resid 38 and name HD2# ) (resid 38 and name HN ) 4.0 2.2 1.5 ! A.1224 at 1.18e+06 assign (resid 38 and name HB2 ) (resid 38 and name HN ) 3.0 0.7 0.6 ! A.1221 at 1.47e+07 assign (resid 38 and name HG ) (resid 39 and name HN ) 4.5 2.2 2.0 ! A.580 at 4.52e+05 assign (resid 38 and name HB2 ) (resid 39 and name HN ) 3.5 1.2 0.5 ! A.518 at 3.90e+06 assign (resid 38 and name HN ) (resid 39 and name HB1 ) 4.5 2.2 2.0 ! A.1219 at 4.48e+05 assign (resid 38 and name HN ) (resid 39 and name HA ) 4.5 2.2 2.0 ! A.1215 at 3.87e+05 assign (resid 38 and name HA ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.42 at 2.89e+05 assign (resid 38 and name HN ) (resid 40 and name HB# ) 4.5 2.2 2.5 ! A.1225 at 4.48e+05 assign (resid 38 and name HN ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.1211 at 4.57e+05 assign (resid 38 and name HN ) (resid 41 and name HN ) 4.5 2.2 2.0 ! A.1214 at 3.40e+05 ! D39 assign (resid 39 and name HB1 ) (resid 39 and name HN ) 2.5 0.7 0.4 ! A.578 at 1.36e+07 assign (resid 39 and name HN ) (resid 40 and name HN ) 2.5 0.7 0.4 ! A.515 at 4.81e+06 assign (resid 39 and name HB1 ) (resid 40 and name HN ) 3.0 0.7 0.4 ! A.46 at 6.52e+06 C assign (resid 39 and name HN ) (resid 40 and name HB# ) 3.5 1.2 1.0 ! A.581 at 1.61e+06 assign (resid 39 and name HN ) (resid 40 and name HA ) 4.5 2.2 2.0 ! A.577 at 3.48e+05 assign (resid 39 and name HN ) (resid 41 and name HB1 ) 4.5 2.2 2.0 ! A.579 at 2.68e+05 assign (resid 39 and name HN ) (resid 41 and name HN ) 4.5 2.2 2.0 ! A.575 at 3.08e+05 assign (resid 39 and name HB1 ) (resid 41 and name HN ) 4.5 2.2 2.0 ! A.1492 at 2.26e+05 ! A40 assign (resid 40 and name HB# ) (resid 40 and name HN ) 2.5 0.7 0.9 ! A.50 at 1.27e+07 assign (resid 40 and name HN ) (resid 41 and name HB2 ) 4.5 2.2 2.0 ! A.48 at 3.03e+05 assign (resid 40 and name HN ) (resid 41 and name HA ) 4.5 2.2 2.0 ! A.45 at 1.66e+05 assign (resid 40 and name HN ) (resid 41 and name HN ) 2.5 1.2 0.5 ! A.1483 at 3.85e+06 C assign (resid 40 and name HB# ) (resid 41 and name HN ) 2.5 0.7 0.9 ! A.1499 at 5.39e+06 assign (resid 40 and name HA ) (resid 41 and name HN ) 4.5 2.2 2.0 ! A.1488 at 6.92e+05 assign (resid 40 and name HB# ) (resid 42 and name HN ) 4.5 2.2 2.5 ! A.1314 at 7.80e+05 assign (resid 40 and name HA ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.135 at 6.83e+05 ! Q41 assign (resid 41 and name HB1 ) (resid 41 and name HE21 ) 4.5 2.2 2.0 ! A.1517 at 5.94e+05 assign (resid 41 and name HA ) (resid 41 and name HE21 ) 4.5 2.2 2.0 ! A.1510 at 2.38e+05 assign (resid 41 and name HB2 ) (resid 41 and name HE21 ) 4.5 2.2 2.0 ! A.1520 at 2.62e+05 assign (resid 41 and name HB1 ) (resid 41 and name HE22 ) 4.0 1.2 0.5 ! A.1494 at 2.38e+06 C assign (resid 41 and name HB2 ) (resid 41 and name HN ) 2.5 0.7 0.4 ! A.1496 at 8.62e+06 assign (resid 41 and name HA ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.1303 at 8.93e+05 assign (resid 41 and name HG1 ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.1305 at 2.22e+05 assign (resid 41 and name HG2 ) (resid 42 and name HN ) 3.5 1.2 0.5 ! A.1306 at 2.67e+06 assign (resid 41 and name HE22 ) (resid 42 and name HD1 ) 3.5 1.2 0.5 ! A.1522 at 3.09e+06 assign (resid 41 and name HE21 ) (resid 42 and name HG1 ) 4.5 2.2 2.0 ! A.1523 at 3.75e+05 assign (resid 41 and name HE21 ) (resid 42 and name HA ) 4.5 2.2 2.0 ! A.1509 at 4.54e+05 assign (resid 41 and name HE22 ) (resid 42 and name HE1 ) 4.5 2.2 2.0 ! A.1512 at 2.14e+05 assign (resid 41 and name HN ) (resid 42 and name HN ) 3.5 1.2 0.5 ! A.1300 at 2.62e+06 assign (resid 41 and name HE22 ) (resid 42 and name HG1 ) 4.5 2.2 2.0 ! A.1497 at 7.80e+05 assign (resid 41 and name HE22 ) (resid 42 and name HB1 ) 3.5 1.2 0.5 ! A.1518 at 2.26e+06 assign (resid 41 and name HE21 ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.130 at 8.77e+05 !assign (resid 41 and name HE21 ) (resid 61 and name HE1 ) 4.5 2.2 2.0 ! A.1504 at 4.41e+05 assign (resid 41 and name HE21 ) (resid 62 and name HG1 ) 4.5 2.2 2.0 ! A.1515 at 2.75e+05 assign (resid 41 and name HA ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.892 at 7.61e+05 assign (resid 41 and name HG1 ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.899 at 2.98e+05 assign (resid 41 and name HN ) (resid 65 and name HB2 ) 4.5 2.2 2.0 ! A.1491 at 4.75e+05 assign (resid 41 and name HN ) (resid 65 and name HB1 ) 4.5 2.2 2.0 ! A.1490 at 4.46e+05 assign (resid 41 and name HN ) (resid 65 and name HE1 ) 4.5 2.2 2.0 ! A.1485 at 3.93e+05 assign (resid 41 and name HG2 ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.900 at 3.47e+05 !assign (resid 41 and name HN ) (resid 69 and name HG2# ) 4.5 2.2 2.5 ! A.1498 at 2.57e+05 ! K42 assign (resid 42 and name HE1 ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.1304 at 2.35e+05 assign (resid 42 and name HB2 ) (resid 42 and name HN ) 2.5 0.7 0.4 ! A.1309 at 6.22e+06 assign (resid 42 and name HD1 ) (resid 42 and name HN ) 2.5 0.7 0.4 ! A.1311 at 6.37e+06 assign (resid 42 and name HG1 ) (resid 42 and name HN ) 3.5 1.2 0.5 ! A.1313 at 2.73e+06 assign (resid 42 and name HB1 ) (resid 42 and name HN ) 3.5 1.2 0.5 ! A.1308 at 4.24e+06 assign (resid 42 and name HN ) (resid 43 and name HN ) 3.5 0.7 0.4 ! A.1299 at 6.47e+06 C ! A43 assign (resid 43 and name HB# ) (resid 43 and name HN ) 2.5 0.7 0.9 ! A.138 at 1.62e+07 assign (resid 43 and name HB# ) (resid 44 and name HN ) 2.5 0.7 0.9 ! A.1295 at 1.48e+07 ! T44 assign (resid 44 and name HG2# ) (resid 44 and name HN ) 3.5 1.2 1.0 ! A.1296 at 2.89e+06 !assign (resid 44 and name HG2# ) (resid 48 and name HN ) 4.5 2.2 2.5 ! A.1082 at 5.41e+05 !assign (resid 44 and name HB ) (resid 48 and name HN ) 4.5 2.2 2.0 ! A.1075 at 3.47e+05 !assign (resid 44 and name HA ) (resid 48 and name HN ) 4.5 2.2 2.0 ! A.1076 at 4.04e+05 ! P45 ! P46 assign (resid 46 and name HD1 ) (resid 47 and name HN ) 3.5 1.2 0.5 ! A.1334 at 4.04e+06 assign (resid 46 and name HG1 ) (resid 47 and name HN ) 3.5 1.2 0.5 ! A.1336 at 2.29e+06 assign (resid 46 and name HG2 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.1079 at 1.01e+06 ! K47 assign (resid 47 and name HB1 ) (resid 47 and name HN ) 3.5 1.2 0.5 ! A.1337 at 3.30e+06 assign (resid 47 and name HG1 ) (resid 47 and name HN ) 2.5 0.7 0.4 ! A.1338 at 5.08e+06 assign (resid 47 and name HE1 ) (resid 47 and name HN ) 4.5 2.2 2.0 ! A.1335 at 2.03e+05 assign (resid 47 and name HN ) (resid 48 and name HN ) 3.5 1.2 0.5 ! A.1286 at 3.62e+06 assign (resid 47 and name HA ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.984 at 1.10e+06 assign (resid 47 and name HA ) (resid 50 and name HN ) 4.5 2.2 2.0 ! A.1186 at 1.53e+05 ! L48 assign (resid 48 and name HG ) (resid 48 and name HN ) 3.5 1.2 0.5 ! A.1081 at 3.30e+06 assign (resid 48 and name HD1# ) (resid 48 and name HN ) 4.0 2.2 1.5 ! A.1083 at 1.00e+06 assign (resid 48 and name HD2# ) (resid 48 and name HN ) 4.0 2.2 1.5 ! A.1084 at 8.30e+05 assign (resid 48 and name HN ) (resid 49 and name HA ) 4.5 2.2 2.0 ! A.1077 at 3.16e+05 assign (resid 48 and name HG ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.1192 at 1.05e+06 assign (resid 48 and name HN ) (resid 50 and name HN ) 4.5 2.2 2.0 ! A.1071 at 3.27e+05 assign (resid 48 and name HD2# ) (resid 58 and name HN ) 4.5 2.2 2.5 ! A.644 at 3.09e+05 assign (resid 48 and name HN ) (resid 61 and name HE1 ) 4.5 2.2 2.0 ! A.1072 at 4.31e+05 assign (resid 48 and name HN ) (resid 61 and name HZ ) 4.5 2.2 2.0 ! A.1073 at 1.90e+05 ! E49 assign (resid 49 and name HA ) (resid 50 and name HN ) 2.5 0.7 0.4 ! A.1187 at 4.68e+06 assign (resid 49 and name HG# ) (resid 50 and name HN ) 4.5 2.2 2.5 ! A.1189 at 2.43e+05 ! D50 assign (resid 50 and name HB2 ) (resid 50 and name HN ) 2.5 0.7 0.4 ! A.1188 at 7.45e+06 assign (resid 50 and name HA ) (resid 51 and name HN ) 3.5 1.2 0.5 ! A.559 at 3.40e+06 assign (resid 50 and name HN ) (resid 51 and name HN ) 2.5 0.7 0.4 ! A.1184 at 5.59e+06 assign (resid 50 and name HB2 ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.565 at 8.30e+05 assign (resid 50 and name HN ) (resid 51 and name HG1 ) 4.5 2.2 2.0 ! A.1193 at 1.03e+05 assign (resid 50 and name HN ) (resid 51 and name HD2 ) 4.5 2.2 2.0 ! A.1191 at 4.43e+05 assign (resid 50 and name HN ) (resid 51 and name HD1 ) 4.5 2.2 2.0 ! A.1190 at 7.30e+05 ! K51 assign (resid 51 and name HE1 ) (resid 51 and name HN ) 4.5 2.2 2.0 ! A.572 at 3.69e+05 assign (resid 51 and name HD1 ) (resid 52 and name HN ) 3.5 1.2 0.5 ! A.1014 at 1.81e+06 assign (resid 51 and name HB1 ) (resid 52 and name HN ) 3.5 1.2 0.5 ! A.1012 at 4.14e+06 assign (resid 51 and name HA ) (resid 52 and name HN ) 3.0 0.7 0.5 ! A.1007 at 1.14e+07 C assign (resid 51 and name HG1 ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.1016 at 1.33e+06 assign (resid 51 and name HB2 ) (resid 52 and name HN ) 4.5 2.2 2.0 ! A.1013 at 1.31e+05 assign (resid 51 and name HN ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.1005 at 1.33e+06 ! S52 assign (resid 52 and name HB1 ) (resid 52 and name HN ) 3.5 1.2 0.5 ! A.1009 at 3.76e+06 assign (resid 52 and name HB2 ) (resid 52 and name HN ) 2.5 0.7 0.4 ! A.1010 at 5.57e+06 assign (resid 52 and name HB1 ) (resid 54 and name HN ) 4.5 2.2 2.0 ! A.1345 at 5.81e+05 ! P53 assign (resid 53 and name HB1 ) (resid 54 and name HN ) 4.5 2.2 2.0 ! A.1349 at 7.05e+05 assign (resid 53 and name HB2 ) (resid 54 and name HN ) 4.5 2.2 2.0 ! A.1350 at 4.09e+05 assign (resid 53 and name HG2 ) (resid 54 and name HN ) 3.5 1.2 0.5 ! A.1351 at 2.97e+06 assign (resid 53 and name HD1 ) (resid 54 and name HN ) 3.5 1.2 0.5 ! A.1346 at 2.54e+06 assign (resid 53 and name HA ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.1344 at 1.39e+06 assign (resid 53 and name HB2 ) (resid 55 and name HN ) 4.5 2.2 2.0 ! A.1182 at 4.10e+05 ! D54 assign (resid 54 and name HB1 ) (resid 54 and name HN ) 3.5 1.2 0.5 ! A.1347 at 2.43e+06 assign (resid 54 and name HB2 ) (resid 54 and name HN ) 3.5 1.2 0.5 ! A.1348 at 3.86e+06 assign (resid 54 and name HN ) (resid 55 and name HN ) 4.0 1.2 1.0 ! A.1341 at 2.41e+06 C assign (resid 54 and name HA ) (resid 55 and name HN ) 3.5 0.7 0.4 ! A.1175 at 1.02e+07 C assign (resid 54 and name HB1 ) (resid 55 and name HN ) 4.5 2.2 2.0 ! A.1180 at 2.20e+05 assign (resid 54 and name HN ) (resid 55 and name HA ) 4.5 2.2 2.0 ! A.1343 at 4.22e+05 ! S55 assign (resid 55 and name HB1 ) (resid 55 and name HN ) 3.5 1.2 0.5 ! A.1177 at 4.23e+06 assign (resid 55 and name HB2 ) (resid 55 and name HN ) 4.5 2.2 2.0 ! A.1178 at 5.33e+05 assign (resid 55 and name HN ) (resid 56 and name HD1 ) 4.0 2.2 1.0 ! A.1179 at 1.23e+06 assign (resid 55 and name HN ) (resid 56 and name HB1 ) 4.5 2.2 2.0 ! A.1181 at 4.67e+05 assign (resid 55 and name HN ) (resid 56 and name HB2 ) 4.0 2.2 1.0 ! A.1067 at 1.31e+06 !assign (resid 55 and name HN ) (resid 57 and name HB1 ) 4.5 2.2 2.0 ! A.1183 at 4.08e+05 !assign (resid 55 and name HN ) (resid 57 and name HB2 ) 4.0 2.2 1.0 ! A.1068 at 1.25e+06 ! P56 assign (resid 56 and name HA ) (resid 58 and name HN ) 3.5 1.2 0.5 ! A.634 at 1.55e+06 assign (resid 56 and name HA ) (resid 60 and name HN ) 4.0 1.2 0.7 ! A.380 at 2.85e+06 ! E57 assign (resid 57 and name HA ) (resid 60 and name HN ) 4.5 2.2 2.0 ! A.379 at 4.46e+05 ! M58 assign (resid 58 and name HB1 ) (resid 58 and name HN ) 3.0 0.7 0.6 ! A.641 at 7.17e+06 C assign (resid 58 and name HN ) (resid 59 and name HN ) 2.5 0.7 0.4 ! A.630 at 4.69e+06 assign (resid 58 and name HN ) (resid 60 and name HB1 ) 4.5 2.2 2.0 ! A.636 at 3.26e+05 assign (resid 58 and name HA ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.295 at 1.38e+06 assign (resid 58 and name HN ) (resid 61 and name HN ) 4.5 2.2 2.0 ! A.292 at 2.76e+05 ! K59 assign (resid 59 and name HB# ) (resid 60 and name HN ) 2.5 0.7 0.9 ! A.314 at 6.94e+06 assign (resid 59 and name HN ) (resid 60 and name HN ) 2.5 0.7 0.4 ! A.431 at 4.65e+06 assign (resid 59 and name HG1 ) (resid 60 and name HN ) 4.5 2.2 2.0 ! A.389 at 5.76e+05 assign (resid 59 and name HB1 ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.305 at 9.41e+05 assign (resid 59 and name HA ) (resid 62 and name HN ) 3.5 1.2 0.5 ! A.1130 at 2.44e+06 assign (resid 59 and name HG1 ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.659 at 4.62e+05 assign (resid 59 and name HE1 ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.654 at 8.21e+05 assign (resid 59 and name HA ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.650 at 7.80e+05 assign (resid 59 and name HD2 ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.626 at 3.99e+05 assign (resid 59 and name HD1 ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.1692 at 3.01e+05 ! D60 assign (resid 60 and name HB2 ) (resid 60 and name HN ) 2.5 0.7 0.4 ! A.385 at 9.70e+06 assign (resid 60 and name HB# ) (resid 61 and name HN ) 3.5 1.2 1.0 ! A.301 at 2.88e+06 assign (resid 60 and name HN ) (resid 61 and name HB2 ) 4.5 2.2 2.0 ! A.386 at 2.34e+05 assign (resid 60 and name HN ) (resid 62 and name HD2 ) 4.5 2.2 2.0 ! A.384 at 4.84e+05 assign (resid 60 and name HN ) (resid 63 and name HB1 ) 4.5 2.2 2.0 ! A.383 at 3.89e+05 assign (resid 60 and name HN ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.375 at 5.80e+05 assign (resid 60 and name HA ) (resid 64 and name HN ) 4.0 2.2 1.0 ! A.1683 at 1.01e+06 ! F61 assign (resid 61 and name HD1 ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.294 at 1.50e+06 assign (resid 61 and name HB2 ) (resid 61 and name HN ) 2.5 0.7 0.4 ! A.303 at 5.18e+06 assign (resid 61 and name HN ) (resid 62 and name HN ) 3.5 1.2 0.5 ! A.1123 at 4.02e+06 assign (resid 61 and name HN ) (resid 62 and name HD2 ) 3.0 0.7 0.5 ! A.300 at 5.32e+06 assign (resid 61 and name HD1 ) (resid 62 and name HN ) 4.0 1.2 1.0 ! A.1128 at 1.53e+06 assign (resid 61 and name HN ) (resid 63 and name HB1 ) 4.5 2.2 2.0 ! A.298 at 3.10e+05 assign (resid 61 and name HN ) (resid 63 and name HB2 ) 4.5 2.2 2.0 ! A.299 at 2.44e+05 assign (resid 61 and name HA ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.1684 at 4.97e+05 assign (resid 61 and name HN ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.293 at 3.63e+05 assign (resid 61 and name HA ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.888 at 1.24e+05 ! R62 assign (resid 62 and name HE ) (resid 62 and name HN ) 4.5 2.2 2.0 ! A.1125 at 3.62e+05 assign (resid 62 and name HB ) (resid 62 and name HN ) 3.5 1.2 0.5 ! A.1141 at 3.15e+06 assign (resid 62 and name HD2 ) (resid 62 and name HN ) 2.5 0.7 0.4 ! A.1134 at 4.72e+06 assign (resid 62 and name HG1 ) (resid 62 and name HN ) 2.5 0.7 0.4 ! A.1139 at 4.96e+06 assign (resid 62 and name HD1 ) (resid 62 and name HN ) 4.5 2.2 2.0 ! A.1133 at 2.84e+05 assign (resid 62 and name HG1 ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.657 at 8.85e+05 assign (resid 62 and name HN ) (resid 63 and name HN ) 3.5 1.2 0.5 ! A.613 at 3.63e+06 assign (resid 62 and name HB1 ) (resid 63 and name HN ) 3.5 1.2 0.5 ! A.622 at 3.01e+06 assign (resid 62 and name HN ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.1124 at 3.18e+05 assign (resid 62 and name HN ) (resid 64 and name HA1 ) 4.5 2.2 2.0 ! A.1135 at 2.55e+05 assign (resid 62 and name HG1 ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.1690 at 3.45e+05 assign (resid 62 and name HB1 ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.1691 at 6.35e+05 assign (resid 62 and name HA ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.889 at 6.11e+05 assign (resid 62 and name HN ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.1127 at 8.25e+04 assign (resid 62 and name HN ) (resid 65 and name HD1 ) 4.0 2.2 1.0 ! A.1128 at 1.03e+06 assign (resid 62 and name HN ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.1126 at 4.06e+05 assign (resid 62 and name HB1 ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.335 at 2.87e+05 ! H63 assign (resid 63 and name HD2 ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.647 at 4.96e+05 assign (resid 63 and name HB2 ) (resid 63 and name HN ) 2.5 0.7 0.4 ! A.652 at 8.90e+06 assign (resid 63 and name HB1 ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.651 at 4.45e+05 assign (resid 63 and name HN ) (resid 64 and name HN ) 2.5 0.7 0.4 ! A.645 at 5.30e+06 assign (resid 63 and name HB1 ) (resid 64 and name HN ) 3.5 1.2 0.5 ! A.1685 at 2.02e+06 assign (resid 63 and name HN ) (resid 64 and name HA1 ) 4.0 2.2 1.0 ! A.653 at 8.36e+05 assign (resid 63 and name HN ) (resid 65 and name HB2 ) 4.5 2.2 2.0 ! A.656 at 7.78e+05 assign (resid 63 and name HN ) (resid 65 and name HD1 ) 4.5 2.2 2.0 ! A.648 at 1.72e+05 assign (resid 63 and name HB1 ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.890 at 2.94e+05 assign (resid 63 and name HA ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.886 at 2.15e+05 assign (resid 63 and name HB2 ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.891 at 1.76e+05 assign (resid 63 and name HN ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.616 at 2.38e+05 assign (resid 63 and name HA ) (resid 66 and name HN ) 3.5 1.2 0.5 ! A.325 at 1.70e+06 assign (resid 63 and name HB2 ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.329 at 2.09e+05 assign (resid 63 and name HN ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.646 at 1.14e+05 assign (resid 63 and name HB2 ) (resid 67 and name HN ) 4.5 2.2 2.0 ! A.417 at 2.91e+05 assign (resid 63 and name HA ) (resid 67 and name HN ) 4.5 2.2 2.0 ! A.412 at 1.16e+05 ! G64 assign (resid 64 and name HA2 ) (resid 65 and name HN ) 3.5 1.2 0.5 ! A.894 at 1.72e+06 assign (resid 64 and name HN ) (resid 65 and name HN ) 3.5 1.2 0.5 ! A.882 at 3.22e+06 assign (resid 64 and name HN ) (resid 65 and name HD1 ) 4.5 2.2 2.0 ! A.1682 at 6.15e+05 assign (resid 64 and name HA1 ) (resid 67 and name HN ) 4.5 2.2 2.0 ! A.418 at 5.86e+05 assign (resid 64 and name HN ) (resid 67 and name HG11 ) 4.5 2.2 2.0 ! A.1693 at 2.49e+05 assign (resid 64 and name HN ) (resid 67 and name HG12 ) 4.5 2.2 2.0 ! A.1694 at 3.82e+05 ! F65 assign (resid 65 and name HB1 ) (resid 65 and name HN ) 3.5 1.2 0.5 ! A.896 at 3.67e+06 assign (resid 65 and name HD1 ) (resid 65 and name HN ) 2.5 0.7 0.4 ! A.884 at 5.01e+06 assign (resid 65 and name HB2 ) (resid 65 and name HN ) 2.5 0.7 0.4 ! A.898 at 5.08e+06 assign (resid 65 and name HE1 ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.885 at 2.59e+05 assign (resid 65 and name HD1 ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.324 at 4.39e+05 assign (resid 65 and name HB2 ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.333 at 3.54e+05 assign (resid 65 and name HN ) (resid 66 and name HN ) 3.5 1.2 0.5 ! A.883 at 4.04e+06 assign (resid 65 and name HA ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.327 at 8.11e+05 assign (resid 65 and name HN ) (resid 66 and name HA ) 4.5 2.2 2.0 ! A.887 at 1.39e+05 assign (resid 65 and name HN ) (resid 67 and name HN ) 4.5 2.2 2.0 ! A.411 at 3.69e+05 assign (resid 65 and name HN ) (resid 69 and name HN ) 4.5 2.2 2.0 ! A.880 at 2.95e+05 assign (resid 65 and name HA ) (resid 69 and name HN ) 4.5 2.2 2.0 ! A.601 at 6.59e+05 ! D66 assign (resid 66 and name HB2 ) (resid 66 and name HN ) 3.5 1.2 0.5 ! A.332 at 4.30e+06 assign (resid 66 and name HB1 ) (resid 66 and name HN ) 2.5 0.7 0.4 ! A.331 at 6.25e+06 assign (resid 66 and name HN ) (resid 67 and name HN ) 2.5 0.7 0.4 ! A.322 at 4.06e+07 assign (resid 66 and name HN ) (resid 67 and name HB ) 4.0 2.2 1.0 ! A.336 at 8.88e+05 assign (resid 66 and name HN ) (resid 67 and name HG12 ) 4.5 2.2 2.0 ! A.339 at 5.31e+05 assign (resid 66 and name HN ) (resid 67 and name HG11 ) 4.5 2.2 2.0 ! A.338 at 1.74e+05 assign (resid 66 and name HB1 ) (resid 67 and name HN ) 3.5 1.2 0.5 ! A.419 at 2.74e+06 assign (resid 66 and name HB2 ) (resid 67 and name HN ) 3.5 1.2 0.5 ! A.420 at 2.20e+06 assign (resid 66 and name HA ) (resid 67 and name HN ) 4.5 2.2 2.0 ! A.413 at 3.48e+05 assign (resid 66 and name HN ) (resid 68 and name HB1 ) 4.5 2.2 2.0 ! A.337 at 3.15e+05 assign (resid 66 and name HN ) (resid 68 and name HN ) 3.5 1.2 0.5 ! A.496 at 1.82e+06 assign (resid 66 and name HN ) (resid 69 and name HG2# ) 4.0 2.2 1.5 ! A.340 at 1.31e+06 assign (resid 66 and name HA ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.1718 at 2.00e+05 assign (resid 66 and name HB1 ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.1725 at 2.18e+05 ! I67 assign (resid 67 and name HG12 ) (resid 67 and name HN ) 2.5 0.7 0.4 ! A.424 at 6.31e+06 assign (resid 67 and name HB ) (resid 67 and name HN ) 2.5 0.7 0.4 ! A.422 at 8.70e+06 assign (resid 67 and name HG12 ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.505 at 9.08e+05 assign (resid 67 and name HA ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.498 at 8.44e+05 assign (resid 67 and name HG12 ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.1732 at 1.35e+05 ! L68 assign (resid 68 and name HB1 ) (resid 68 and name HN ) 2.5 0.7 0.4 ! A.503 at 8.65e+06 assign (resid 68 and name HD1# ) (resid 68 and name HN ) 4.0 2.2 1.5 ! A.508 at 1.44e+06 assign (resid 68 and name HN ) (resid 69 and name HN ) 3.5 1.2 0.5 ! A.494 at 2.69e+06 assign (resid 68 and name HG ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.1731 at 2.47e+05 assign (resid 68 and name HB1 ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.1730 at 3.94e+05 assign (resid 68 and name HA ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.1720 at 3.28e+05 assign (resid 68 and name HG ) (resid 71 and name HN ) 4.5 2.2 2.0 ! A.406 at 5.07e+05 assign (resid 68 and name HB1 ) (resid 71 and name HN ) 4.5 2.2 2.0 ! A.405 at 3.40e+05 assign (resid 68 and name HD1# ) (resid 93 and name HE21 ) 4.5 2.2 2.5 ! A.1568 at 6.85e+05 assign (resid 68 and name HD1# ) (resid 93 and name HE22 ) 4.0 2.2 1.5 ! A.1569 at 1.24e+06 assign (resid 68 and name HA ) (resid 93 and name HE22 ) 4.5 2.2 2.0 ! A.1552 at 3.14e+05 ! V69 assign (resid 69 and name HG2# ) (resid 69 and name HN ) 2.5 0.7 0.9 ! A.628 at 9.51e+06 assign (resid 69 and name HB ) (resid 69 and name HN ) 3.5 1.2 0.5 ! A.625 at 4.41e+06 assign (resid 69 and name HG1# ) (resid 69 and name HN ) 3.5 0.7 0.9 ! A.627 at 1.26e+07 assign (resid 69 and name HN ) (resid 70 and name HN ) 3.5 1.2 0.5 ! A.1714 at 4.12e+06 assign (resid 69 and name HG1# ) (resid 70 and name HN ) 4.5 2.2 2.5 ! A.1733 at 4.13e+05 assign (resid 69 and name HA ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.1723 at 6.51e+05 assign (resid 69 and name HG2# ) (resid 70 and name HN ) 4.0 2.2 1.5 ! A.1734 at 1.22e+06 assign (resid 69 and name HB ) (resid 70 and name HN ) 3.5 1.2 0.5 ! A.1728 at 4.21e+06 assign (resid 69 and name HN ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.21 at 2.75e+05 assign (resid 69 and name HN ) (resid 72 and name HB ) 4.0 1.2 0.7 ! A.621 at 2.98e+06 C assign (resid 69 and name HA ) (resid 73 and name HN ) 4.5 2.2 2.0 ! A.271 at 3.77e+05 ! G70 assign (resid 70 and name HA1 ) (resid 71 and name HN ) 3.5 1.2 0.5 ! A.398 at 4.32e+06 assign (resid 70 and name HN ) (resid 71 and name HA ) 4.5 2.2 2.0 ! A.1719 at 4.05e+05 assign (resid 70 and name HN ) (resid 71 and name HG2 ) 4.5 2.2 2.0 ! A.1727 at 2.07e+05 assign (resid 70 and name HN ) (resid 71 and name HN ) 2.5 0.7 0.4 ! A.1715 at 4.15e+07 assign (resid 70 and name HN ) (resid 71 and name HG1 ) 4.5 2.2 2.0 ! A.1726 at 3.60e+05 assign (resid 70 and name HN ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.23 at 3.03e+05 assign (resid 70 and name HA1 ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.27 at 1.77e+05 assign (resid 70 and name HA1 ) (resid 73 and name HN ) 3.5 1.2 0.5 ! A.269 at 2.03e+06 assign (resid 70 and name HN ) (resid 73 and name HN ) 4.5 2.2 2.0 ! A.263 at 2.07e+05 assign (resid 70 and name HA1 ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.207 at 3.84e+05 assign (resid 70 and name HA2 ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.208 at 1.51e+05 ! Q71 assign (resid 71 and name HE22 ) (resid 71 and name HN ) 4.5 2.2 2.0 ! A.396 at 2.14e+05 assign (resid 71 and name HG1 ) (resid 71 and name HN ) 2.5 0.7 0.4 ! A.401 at 6.48e+06 assign (resid 71 and name HG2 ) (resid 71 and name HN ) 3.0 0.7 0.6 ! A.402 at 1.07e+07 C assign (resid 71 and name HB1 ) (resid 71 and name HN ) 2.5 0.7 0.4 ! A.404 at 5.68e+06 assign (resid 71 and name HN ) (resid 71 and name HE21 ) 4.5 2.2 2.0 ! A.1649 at 1.91e+05 assign (resid 71 and name HG2 ) (resid 71 and name HE22 ) 3.5 1.2 0.5 ! A.1668 at 2.37e+06 assign (resid 71 and name HG1 ) (resid 71 and name HE21 ) 3.5 1.2 0.5 ! A.1663 at 1.75e+06 assign (resid 71 and name HG2 ) (resid 71 and name HE21 ) 3.5 1.2 0.5 ! A.1667 at 3.82e+06 assign (resid 71 and name HB1 ) (resid 71 and name HE21 ) 4.0 2.2 1.0 ! A.1671 at 8.50e+05 assign (resid 71 and name HA ) (resid 71 and name HE21 ) 4.5 2.2 2.0 ! A.1655 at 3.24e+05 assign (resid 71 and name HG1 ) (resid 71 and name HE22 ) 4.0 2.2 1.0 ! A.1664 at 1.23e+06 assign (resid 71 and name HB1 ) (resid 71 and name HE22 ) 4.5 2.2 2.0 ! A.1672 at 3.08e+05 assign (resid 71 and name HA ) (resid 71 and name HE22 ) 4.5 2.2 2.0 ! A.1656 at 2.94e+05 assign (resid 71 and name HG1 ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.30 at 4.24e+05 assign (resid 71 and name HN ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.394 at 5.76e+06 assign (resid 71 and name HA ) (resid 72 and name HN ) 3.5 1.2 0.5 ! A.26 at 1.71e+06 assign (resid 71 and name HG2 ) (resid 72 and name HN ) 3.5 1.2 0.5 ! A.31 at 2.73e+06 assign (resid 71 and name HE22 ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.1646 at 3.86e+05 assign (resid 71 and name HN ) (resid 72 and name HG1# ) 4.0 2.2 1.5 ! A.407 at 1.31e+06 assign (resid 71 and name HE22 ) (resid 72 and name HA ) 4.5 2.2 2.0 ! A.1660 at 3.14e+05 assign (resid 71 and name HE21 ) (resid 72 and name HA ) 4.5 2.2 2.0 ! A.1659 at 1.72e+05 assign (resid 71 and name HE21 ) (resid 73 and name HN ) 4.5 2.2 2.0 ! A.264 at 1.19e+05 assign (resid 71 and name HG1 ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.273 at 1.01e+06 assign (resid 71 and name HA ) (resid 73 and name HN ) 4.5 2.2 2.0 ! A.268 at 1.76e+05 assign (resid 71 and name HE22 ) (resid 74 and name HB1 ) 4.5 2.2 2.0 ! A.1661 at 3.20e+05 assign (resid 71 and name HE21 ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.1648 at 1.49e+05 assign (resid 71 and name HE21 ) (resid 74 and name HB2 ) 4.5 2.2 2.0 ! A.1662 at 3.83e+05 assign (resid 71 and name HE21 ) (resid 75 and name HB# ) 4.5 2.2 2.5 ! A.1675 at 2.66e+05 assign (resid 71 and name HE21 ) (resid 76 and name HN ) 4.5 2.2 2.0 ! A.1644 at 2.90e+05 assign (resid 71 and name HE21 ) (resid 90 and name HB# ) 4.5 2.2 2.5 ! A.1673 at 4.43e+05 assign (resid 71 and name HE22 ) (resid 90 and name HB# ) 4.5 2.2 2.5 ! A.1674 at 4.21e+05 assign (resid 71 and name HE22 ) (resid 91 and name HN ) 4.5 2.2 2.0 ! A.1647 at 2.43e+05 assign (resid 71 and name HB1 ) (resid 93 and name HE22 ) 4.5 2.2 2.0 ! A.1563 at 5.71e+05 assign (resid 71 and name HG1 ) (resid 93 and name HE22 ) 3.5 1.2 0.5 ! A.1558 at 2.00e+06 assign (resid 71 and name HE22 ) (resid 93 and name HB1 ) 4.0 2.2 1.0 ! A.1670 at 9.37e+05 assign (resid 71 and name HE21 ) (resid 93 and name HB1 ) 4.5 2.2 2.0 ! A.1669 at 7.71e+05 assign (resid 71 and name HE22 ) (resid 94 and name HD1# ) 3.5 1.2 1.0 ! A.1677 at 3.22e+06 assign (resid 71 and name HE21 ) (resid 94 and name HD1# ) 3.5 1.2 1.0 ! A.1676 at 3.72e+06 ! I72 assign (resid 72 and name HG11 ) (resid 72 and name HN ) 3.0 0.7 0.6 ! A.35 at 6.49e+06 C assign (resid 72 and name HB ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.33 at 1.15e+07 assign (resid 72 and name HN ) (resid 73 and name HN ) 2.5 0.7 0.4 ! A.260 at 5.43e+07 assign (resid 72 and name HN ) (resid 73 and name HA ) 4.5 2.2 2.0 ! A.25 at 4.50e+05 assign (resid 72 and name HG2# ) (resid 73 and name HN ) 4.5 2.2 2.5 ! A.277 at 3.86e+05 assign (resid 72 and name HG11 ) (resid 73 and name HN ) 4.0 1.2 0.7 ! A.276 at 3.10e+06 C assign (resid 72 and name HA ) (resid 73 and name HN ) 3.5 1.2 0.5 ! A.270 at 2.29e+06 assign (resid 72 and name HB ) (resid 73 and name HN ) 2.5 0.7 0.4 ! A.274 at 7.06e+06 assign (resid 72 and name HN ) (resid 75 and name HB# ) 4.5 2.2 2.5 ! A.34 at 3.03e+05 assign (resid 72 and name HG2# ) (resid 75 and name HN ) 3.5 1.2 1.0 ! A.87 at 2.31e+06 assign (resid 72 and name HA ) (resid 75 and name HN ) 3.5 1.2 0.5 ! A.80 at 1.95e+06 assign (resid 72 and name HA ) (resid 76 and name HN ) 4.5 2.2 2.0 ! A.349 at 2.43e+05 ! D73 assign (resid 73 and name HB# ) (resid 73 and name HN ) 2.5 0.7 0.9 ! A.272 at 8.60e+06 assign (resid 73 and name HN ) (resid 74 and name HN ) 3.5 1.2 0.5 ! A.261 at 4.23e+06 assign (resid 73 and name HB2 ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.210 at 5.01e+05 assign (resid 73 and name HA ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.203 at 2.52e+05 assign (resid 73 and name HN ) (resid 74 and name HA ) 4.5 2.2 2.0 ! A.267 at 5.07e+05 assign (resid 73 and name HB1 ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.209 at 3.35e+05 assign (resid 73 and name HN ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.262 at 1.49e+06 assign (resid 73 and name HA ) (resid 75 and name HN ) 4.5 2.2 2.0 ! A.76 at 1.32e+05 assign (resid 73 and name HN ) (resid 75 and name HB# ) 4.5 2.2 2.5 ! A.275 at 3.12e+05 assign (resid 73 and name HN ) (resid 76 and name HN ) 4.5 2.2 2.0 ! A.259 at 2.59e+05 assign (resid 73 and name HA ) (resid 76 and name HN ) 3.5 1.2 0.5 ! A.345 at 2.72e+06 assign (resid 73 and name HB1 ) (resid 76 and name HN ) 4.5 2.2 2.0 ! A.350 at 2.04e+05 ! D74 assign (resid 74 and name HB1 ) (resid 74 and name HN ) 3.0 0.7 0.6 ! A.211 at 1.03e+07 C assign (resid 74 and name HB2 ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.212 at 3.65e+05 assign (resid 74 and name HB1 ) (resid 75 and name HN ) 3.5 1.2 0.5 ! A.82 at 4.42e+06 assign (resid 74 and name HA ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.77 at 1.33e+06 assign (resid 74 and name HN ) (resid 75 and name HN ) 2.5 0.7 0.4 ! A.201 at 9.87e+06 assign (resid 74 and name HA ) (resid 76 and name HN ) 4.5 2.2 2.0 ! A.346 at 4.11e+05 assign (resid 74 and name HB2 ) (resid 76 and name HN ) 4.5 2.2 2.0 ! A.352 at 1.97e+05 assign (resid 74 and name HA ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.1089 at 2.51e+05 ! A75 assign (resid 75 and name HB# ) (resid 75 and name HN ) 2.5 0.7 0.9 ! A.84 at 1.86e+07 assign (resid 75 and name HN ) (resid 76 and name HN ) 2.5 0.7 0.4 ! A.342 at 1.34e+07 assign (resid 75 and name HA ) (resid 76 and name HN ) 3.5 1.2 0.5 ! A.347 at 1.88e+06 assign (resid 75 and name HN ) (resid 78 and name HB2 ) 4.0 2.2 1.0 ! A.83 at 1.39e+06 assign (resid 75 and name HN ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.75 at 4.79e+05 ! L76 assign (resid 76 and name HG ) (resid 76 and name HN ) 3.5 1.2 0.5 ! A.356 at 4.09e+06 assign (resid 76 and name HD2# ) (resid 76 and name HN ) 4.0 2.2 1.5 ! A.360 at 1.24e+06 assign (resid 76 and name HD1# ) (resid 76 and name HN ) 2.5 0.7 0.9 ! A.358 at 6.34e+06 assign (resid 76 and name HB1 ) (resid 76 and name HN ) 2.5 0.7 0.4 ! A.354 at 1.18e+07 assign (resid 76 and name HN ) (resid 77 and name HN ) 2.5 0.7 0.4 ! A.556 at 5.77e+06 assign (resid 76 and name HD2# ) (resid 77 and name HN ) 4.5 2.2 2.5 ! A.570 at 7.64e+05 assign (resid 76 and name HN ) (resid 78 and name HB2 ) 4.5 2.2 2.0 ! A.355 at 1.71e+05 assign (resid 76 and name HN ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.1085 at 5.59e+05 assign (resid 76 and name HA ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.1091 at 3.83e+05 assign (resid 76 and name HN ) (resid 79 and name HB# ) 4.0 2.2 1.5 ! A.357 at 1.21e+06 assign (resid 76 and name HA ) (resid 79 and name HN ) 4.5 2.2 2.0 ! A.297 at 1.25e+05 assign (resid 76 and name HA ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.780 at 2.21e+05 ! K77 assign (resid 77 and name HD2 ) (resid 77 and name HN ) 3.5 1.2 0.5 ! A.568 at 1.80e+06 assign (resid 77 and name HB1 ) (resid 77 and name HN ) 2.5 0.7 0.4 ! A.567 at 2.42e+07 assign (resid 77 and name HN ) (resid 78 and name HN ) 2.5 0.7 0.4 ! A.1088 at 5.69e+06 assign (resid 77 and name HN ) (resid 78 and name HD1# ) 4.0 2.2 1.5 ! A.569 at 1.29e+06 assign (resid 77 and name HA ) (resid 80 and name HN ) 3.5 1.2 0.5 ! A.779 at 3.26e+06 ! L78 assign (resid 78 and name HD2# ) (resid 78 and name HN ) 4.5 2.2 2.5 ! A.1104 at 4.53e+05 assign (resid 78 and name HB1 ) (resid 78 and name HN ) 3.5 1.2 0.5 ! A.1097 at 4.36e+06 assign (resid 78 and name HD1# ) (resid 78 and name HN ) 2.5 0.7 0.9 ! A.1103 at 5.80e+06 assign (resid 78 and name HB2 ) (resid 78 and name HN ) 2.5 0.7 0.4 ! A.1098 at 1.06e+07 assign (resid 78 and name HG ) (resid 78 and name HN ) 3.5 1.2 0.5 ! A.1101 at 3.41e+06 assign (resid 78 and name HD2# ) (resid 79 and name HN ) 4.0 2.2 1.5 ! A.319 at 1.07e+06 assign (resid 78 and name HN ) (resid 79 and name HN ) 2.5 0.7 0.4 ! A.1087 at 5.33e+06 assign (resid 78 and name HB# ) (resid 79 and name HN ) 2.5 0.7 0.9 ! A.313 at 5.30e+06 assign (resid 78 and name HN ) (resid 79 and name HA ) 4.5 2.2 2.0 ! A.1092 at 3.40e+05 assign (resid 78 and name HN ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.1086 at 2.82e+05 assign (resid 78 and name HN ) (resid 80 and name HB1 ) 4.5 2.2 2.0 ! A.1093 at 1.64e+05 assign (resid 78 and name HN ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.995 at 3.91e+05 assign (resid 78 and name HN ) (resid 81 and name HG1 ) 4.5 2.2 2.0 ! A.1094 at 3.46e+05 assign (resid 78 and name HN ) (resid 81 and name HB1 ) 4.5 2.2 2.0 ! A.1095 at 9.31e+04 assign (resid 78 and name HA ) (resid 81 and name HN ) 3.5 1.2 0.5 ! A.998 at 1.88e+06 assign (resid 78 and name HB1 ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1707 at 5.07e+04 assign (resid 78 and name HA ) (resid 83 and name HN ) 4.5 2.2 2.0 ! A.57 at 6.72e+05 assign (resid 78 and name HN ) (resid 83 and name HG2 ) 4.5 2.2 2.0 ! A.1102 at 3.48e+05 assign (resid 78 and name HD2# ) (resid 87 and name HN ) 3.5 1.2 1.0 ! A.18 at 3.54e+06 ! A79 assign (resid 79 and name HB# ) (resid 79 and name HN ) 2.5 0.7 0.9 ! A.317 at 1.52e+07 assign (resid 79 and name HN ) (resid 80 and name HN ) 2.5 0.7 0.4 ! A.773 at 5.63e+06 assign (resid 79 and name HB# ) (resid 80 and name HD21 ) 4.5 2.2 2.5 ! A.1643 at 1.61e+05 assign (resid 79 and name HB# ) (resid 80 and name HN ) 2.5 0.7 0.9 ! A.787 at 9.27e+06 assign (resid 79 and name HA ) (resid 83 and name HN ) 3.5 1.2 0.5 ! A.58 at 2.60e+06 assign (resid 79 and name HN ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.307 at 8.31e+05 ! N80 assign (resid 80 and name HD22 ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.777 at 2.43e+05 assign (resid 80 and name HB1 ) (resid 80 and name HN ) 2.5 0.7 0.4 ! A.782 at 1.22e+07 assign (resid 80 and name HB1 ) (resid 80 and name HD22 ) 3.5 1.2 0.5 ! A.1634 at 3.74e+06 assign (resid 80 and name HB1 ) (resid 80 and name HD21 ) 3.5 1.2 0.5 ! A.1633 at 3.56e+06 assign (resid 80 and name HB2 ) (resid 80 and name HD21 ) 4.5 2.2 2.0 ! A.1635 at 1.59e+05 assign (resid 80 and name HA ) (resid 80 and name HD22 ) 4.5 2.2 2.0 ! A.1630 at 2.20e+05 assign (resid 80 and name HB2 ) (resid 80 and name HD22 ) 4.5 2.2 2.0 ! A.1636 at 3.32e+05 assign (resid 80 and name HA ) (resid 80 and name HD21 ) 4.5 2.2 2.0 ! A.1629 at 4.57e+05 assign (resid 80 and name HN ) (resid 80 and name HD21 ) 4.5 2.2 2.0 ! A.1624 at 2.36e+05 assign (resid 80 and name HN ) (resid 81 and name HN ) 2.5 0.7 0.4 ! A.993 at 5.76e+06 assign (resid 80 and name HN ) (resid 81 and name HB2 ) 4.0 2.2 1.0 ! A.784 at 1.03e+06 assign (resid 80 and name HB1 ) (resid 81 and name HN ) 3.5 1.2 0.5 ! A.1000 at 2.33e+06 assign (resid 80 and name HD21 ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1626 at 2.27e+05 assign (resid 80 and name HN ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.774 at 3.99e+05 ! E81 assign (resid 81 and name HG2 ) (resid 81 and name HN ) 3.5 1.2 0.5 ! A.1002 at 2.26e+06 assign (resid 81 and name HG1 ) (resid 81 and name HN ) 3.5 1.2 0.5 ! A.1001 at 3.70e+06 assign (resid 81 and name HB2 ) (resid 81 and name HN ) 2.5 0.7 0.4 ! A.1003 at 9.10e+06 assign (resid 81 and name HN ) (resid 82 and name HA2 ) 4.5 2.2 2.0 ! A.999 at 2.53e+05 assign (resid 81 and name HN ) (resid 82 and name HA1 ) 4.5 2.2 2.0 ! A.997 at 3.26e+05 assign (resid 81 and name HB1 ) (resid 82 and name HN ) 3.5 1.2 0.5 ! A.1705 at 1.81e+06 assign (resid 81 and name HN ) (resid 82 and name HN ) 2.5 0.7 0.4 ! A.994 at 5.10e+06 assign (resid 81 and name HG2 ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1704 at 2.33e+05 assign (resid 81 and name HB2 ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1706 at 1.35e+05 assign (resid 81 and name HG1 ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1703 at 3.18e+05 assign (resid 81 and name HN ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.54 at 1.42e+06 assign (resid 81 and name HG1 ) (resid 83 and name HN ) 4.5 2.2 2.0 ! A.61 at 2.10e+05 assign (resid 81 and name HN ) (resid 83 and name HG2 ) 4.0 2.2 1.0 ! A.1004 at 1.22e+06 ! G82 assign (resid 82 and name HN ) (resid 83 and name HN ) 2.5 0.7 0.4 ! A.52 at 5.53e+07 assign (resid 82 and name HA1 ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.56 at 1.39e+06 assign (resid 82 and name HN ) (resid 83 and name HG2 ) 3.5 1.2 0.5 ! A.1711 at 1.76e+06 assign (resid 82 and name HN ) (resid 83 and name HG1 ) 4.5 2.2 2.0 ! A.1709 at 6.10e+05 assign (resid 82 and name HA2 ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.248 at 2.45e+05 assign (resid 82 and name HA1 ) (resid 84 and name HN ) 4.0 1.2 1.0 ! A.246 at 4.15e+06 C ! K83 assign (resid 83 and name HG1 ) (resid 83 and name HN ) 3.5 1.2 0.5 ! A.67 at 1.74e+06 assign (resid 83 and name HG2 ) (resid 83 and name HN ) 2.5 0.7 0.4 ! A.69 at 7.71e+06 assign (resid 83 and name HB2 ) (resid 83 and name HN ) 2.5 0.7 0.4 ! A.66 at 6.71e+06 assign (resid 83 and name HB1 ) (resid 83 and name HN ) 3.5 1.2 0.5 ! A.64 at 4.43e+06 assign (resid 83 and name HE1 ) (resid 83 and name HN ) 4.5 2.2 2.0 ! A.60 at 5.21e+05 assign (resid 83 and name HN ) (resid 84 and name HG2# ) 3.5 1.2 1.0 ! A.70 at 1.67e+06 assign (resid 83 and name HN ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.244 at 5.13e+05 assign (resid 83 and name HN ) (resid 84 and name HA ) 4.5 2.2 2.0 ! A.59 at 2.12e+05 assign (resid 83 and name HA ) (resid 84 and name HN ) 2.5 0.7 0.4 ! A.245 at 1.68e+07 assign (resid 83 and name HG2 ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.256 at 7.37e+05 assign (resid 83 and name HG# ) (resid 84 and name HN ) 3.5 1.2 1.0 ! A.254 at 1.58e+06 assign (resid 83 and name HN ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.51 at 2.53e+05 assign (resid 83 and name HB2 ) (resid 87 and name HN ) 3.5 1.2 0.5 ! A.13 at 1.58e+06 ! V84 assign (resid 84 and name HG2# ) (resid 84 and name HN ) 2.5 0.7 0.9 ! A.257 at 1.34e+07 assign (resid 84 and name HB ) (resid 84 and name HN ) 2.5 0.7 0.4 ! A.252 at 1.38e+07 assign (resid 84 and name HN ) (resid 85 and name HE1 ) 4.5 2.2 2.0 ! A.250 at 4.15e+05 assign (resid 84 and name HN ) (resid 85 and name HN ) 2.5 0.7 0.4 ! A.585 at 5.31e+06 assign (resid 84 and name HA ) (resid 85 and name HN ) 3.5 1.2 0.5 ! A.589 at 1.60e+06 assign (resid 84 and name HB ) (resid 85 and name HN ) 2.5 0.7 0.4 ! A.592 at 9.25e+06 assign (resid 84 and name HG1# ) (resid 85 and name HN ) 2.5 0.7 0.9 ! A.595 at 5.10e+06 assign (resid 84 and name HN ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.363 at 1.40e+05 assign (resid 84 and name HG2# ) (resid 86 and name HN ) 4.5 2.2 2.5 ! A.374 at 2.12e+05 assign (resid 84 and name HA ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.367 at 3.87e+05 assign (resid 84 and name HA ) (resid 87 and name HN ) 3.5 1.2 0.5 ! A.9 at 1.52e+06 assign (resid 84 and name HN ) (resid 87 and name HN ) 3.5 1.2 0.5 ! A.243 at 2.09e+06 assign (resid 84 and name HA ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.1113 at 4.35e+05 assign (resid 84 and name HN ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.1109 at 4.22e+05 assign (resid 84 and name HG2# ) (resid 88 and name HE21 ) 4.5 2.2 2.5 ! A.1392 at 6.90e+05 assign (resid 84 and name HA ) (resid 88 and name HE22 ) 4.5 2.2 2.0 ! A.1378 at 4.10e+05 assign (resid 84 and name HB ) (resid 88 and name HE21 ) 4.5 2.2 2.0 ! A.1293 at 5.74e+05 assign (resid 84 and name HA ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.148 at 1.46e+05 ! K85 assign (resid 85 and name HG1 ) (resid 85 and name HN ) 2.5 0.7 0.4 ! A.594 at 6.94e+06 assign (resid 85 and name HE1 ) (resid 85 and name HN ) 4.5 2.2 2.0 ! A.590 at 1.76e+05 assign (resid 85 and name HB2 ) (resid 85 and name HN ) 2.5 0.7 0.4 ! A.593 at 1.38e+07 assign (resid 85 and name HB2 ) (resid 86 and name HN ) 2.5 0.7 0.4 ! A.372 at 8.35e+06 assign (resid 85 and name HG1 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.373 at 1.35e+06 assign (resid 85 and name HA ) (resid 86 and name HN ) 3.5 1.2 0.5 ! A.364 at 1.75e+06 assign (resid 85 and name HN ) (resid 86 and name HN ) 2.5 0.7 0.4 ! A.582 at 6.47e+06 assign (resid 85 and name HN ) (resid 86 and name HG1 ) 4.5 2.2 2.0 ! A.591 at 3.03e+05 assign (resid 85 and name HN ) (resid 88 and name HE22 ) 4.5 2.2 2.0 ! A.586 at 1.34e+05 assign (resid 85 and name HE1 ) (resid 88 and name HE22 ) 4.5 2.2 2.0 ! A.1379 at 5.73e+05 assign (resid 85 and name HN ) (resid 88 and name HE21 ) 4.5 2.2 2.0 ! A.584 at 2.30e+05 assign (resid 85 and name HA ) (resid 88 and name HN ) 3.5 1.2 0.5 ! A.1008 at 2.86e+06 assign (resid 85 and name HG1 ) (resid 88 and name HE22 ) 3.5 1.2 0.5 ! A.1390 at 1.83e+06 assign (resid 85 and name HA ) (resid 88 and name HE22 ) 4.5 2.2 2.0 ! A.1374 at 5.51e+05 assign (resid 85 and name HA ) (resid 88 and name HE21 ) 4.5 2.2 2.0 ! A.1356 at 3.63e+05 assign (resid 85 and name HB2 ) (resid 88 and name HE21 ) 4.5 2.2 2.0 ! A.1389 at 2.04e+05 assign (resid 85 and name HA ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.145 at 4.23e+05 ! E86 assign (resid 86 and name HB2 ) (resid 86 and name HN ) 2.5 0.7 0.4 ! A.371 at 1.29e+07 assign (resid 86 and name HG1 ) (resid 86 and name HN ) 3.5 1.2 0.5 ! A.368 at 2.32e+06 assign (resid 86 and name HG2 ) (resid 86 and name HN ) 3.5 1.2 0.5 ! A.369 at 3.57e+06 assign (resid 86 and name HG1 ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.10 at 1.34e+06 assign (resid 86 and name HN ) (resid 87 and name HN ) 2.5 0.7 0.4 ! A.362 at 1.32e+07 assign (resid 86 and name HG2 ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.11 at 2.68e+05 assign (resid 86 and name HN ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.1105 at 3.02e+05 assign (resid 86 and name HN ) (resid 88 and name HE21 ) 4.5 2.2 2.0 ! A.1364 at 2.36e+05 assign (resid 86 and name HA ) (resid 89 and name HN ) 3.5 1.2 0.5 ! A.41 at 3.22e+06 assign (resid 86 and name HN ) (resid 90 and name HN ) 4.5 2.2 2.0 ! A.232 at 9.40e+04 assign (resid 86 and name HB2 ) (resid 90 and name HN ) 4.5 2.2 2.0 ! A.239 at 2.43e+05 ! A87 assign (resid 87 and name HB# ) (resid 87 and name HN ) 2.5 0.7 0.9 ! A.15 at 1.81e+07 assign (resid 87 and name HN ) (resid 88 and name HN ) 2.5 0.7 0.4 ! A.1106 at 5.04e+06 assign (resid 87 and name HB# ) (resid 88 and name HN ) 2.5 0.7 0.9 ! A.1015 at 7.92e+06 assign (resid 87 and name HA ) (resid 88 and name HN ) 3.5 1.2 0.5 ! A.1111 at 1.74e+06 assign (resid 87 and name HN ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.4 at 5.00e+05 assign (resid 87 and name HA ) (resid 90 and name HN ) 3.5 1.2 0.5 ! A.206 at 3.47e+06 ! Q88 assign (resid 88 and name HE22 ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.1110 at 1.76e+05 assign (resid 88 and name HB2 ) (resid 88 and name HN ) 2.5 0.7 0.4 ! A.1117 at 5.62e+06 assign (resid 88 and name HG1 ) (resid 88 and name HN ) 3.5 1.2 0.5 ! A.1114 at 4.24e+06 assign (resid 88 and name HE21 ) (resid 88 and name HN ) 3.5 1.2 0.5 ! A.1108 at 3.20e+06 assign (resid 88 and name HB2 ) (resid 88 and name HE21 ) 4.5 2.2 2.0 ! A.1387 at 6.46e+05 assign (resid 88 and name HB1 ) (resid 88 and name HE21 ) 4.5 2.2 2.0 ! A.1385 at 2.44e+05 assign (resid 88 and name HG1 ) (resid 88 and name HE22 ) 3.5 1.2 0.5 ! A.1381 at 4.14e+06 assign (resid 88 and name HG1 ) (resid 88 and name HE21 ) 3.5 1.2 0.5 ! A.1380 at 4.03e+06 assign (resid 88 and name HA ) (resid 88 and name HE21 ) 4.5 2.2 2.0 ! A.1376 at 2.09e+05 assign (resid 88 and name HB1 ) (resid 88 and name HE22 ) 4.0 2.2 1.0 ! A.1386 at 1.49e+06 assign (resid 88 and name HA ) (resid 88 and name HE22 ) 4.5 2.2 2.0 ! A.1377 at 2.81e+05 assign (resid 88 and name HG2 ) (resid 88 and name HE21 ) 4.5 2.2 2.0 ! A.1382 at 4.05e+05 assign (resid 88 and name HG2 ) (resid 88 and name HE22 ) 4.5 2.2 2.0 ! A.1383 at 3.69e+05 assign (resid 88 and name HB2 ) (resid 88 and name HE22 ) 4.5 2.2 2.0 ! A.1388 at 5.73e+05 assign (resid 88 and name HB1 ) (resid 88 and name HN ) 3.5 1.2 0.5 ! A.1115 at 2.95e+06 assign (resid 88 and name HG1 ) (resid 89 and name HN ) 2.5 0.7 0.4 ! A.149 at 6.35e+06 assign (resid 88 and name HB2 ) (resid 89 and name HN ) 3.5 1.2 0.5 ! A.47 at 3.47e+06 assign (resid 88 and name HN ) (resid 89 and name HN ) 2.5 0.7 0.4 ! A.141 at 4.58e+06 assign (resid 88 and name HA ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.147 at 1.61e+05 assign (resid 88 and name HG2 ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.150 at 3.84e+05 assign (resid 88 and name HB# ) (resid 89 and name HN ) 4.5 2.2 2.5 ! A.151 at 3.32e+05 assign (resid 88 and name HA ) (resid 90 and name HN ) 4.5 2.2 2.0 ! A.237 at 3.05e+05 assign (resid 88 and name HN ) (resid 90 and name HN ) 4.5 2.2 2.0 ! A.233 at 2.74e+05 assign (resid 88 and name HG2 ) (resid 90 and name HN ) 4.5 2.2 2.0 ! A.238 at 1.66e+05 assign (resid 88 and name HG1 ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.387 at 8.88e+05 ! A89 assign (resid 89 and name HB# ) (resid 89 and name HN ) 2.5 0.7 0.9 ! A.153 at 2.35e+07 assign (resid 89 and name HN ) (resid 90 and name HN ) 2.5 0.7 0.4 ! A.235 at 1.14e+08 assign (resid 89 and name HN ) (resid 92 and name HN ) 4.5 2.2 2.0 ! A.144 at 2.30e+05 ! A90 assign (resid 90 and name HB# ) (resid 90 and name HN ) 2.5 0.7 0.9 ! A.240 at 3.54e+07 assign (resid 90 and name HN ) (resid 91 and name HN ) 2.5 0.7 0.4 ! A.377 at 6.88e+06 assign (resid 90 and name HA ) (resid 91 and name HN ) 3.5 1.2 0.5 ! A.390 at 1.95e+06 assign (resid 90 and name HN ) (resid 93 and name HN ) 4.5 2.2 2.0 ! A.1017 at 3.33e+05 ! A91 assign (resid 91 and name HB# ) (resid 91 and name HN ) 2.5 0.7 0.9 ! A.392 at 3.03e+07 assign (resid 91 and name HN ) (resid 92 and name HN ) 3.5 1.2 0.5 ! A.979 at 4.31e+06 assign (resid 91 and name HB# ) (resid 92 and name HN ) 2.5 0.7 0.9 ! A.991 at 7.39e+06 assign (resid 91 and name HN ) (resid 94 and name HN ) 4.5 2.2 2.0 ! A.753 at 1.92e+05 ! E92 assign (resid 92 and name HB1 ) (resid 92 and name HN ) 3.5 1.2 0.5 ! A.989 at 3.55e+06 assign (resid 92 and name HG1 ) (resid 92 and name HN ) 2.5 0.7 0.4 ! A.987 at 9.91e+06 assign (resid 92 and name HN ) (resid 93 and name HN ) 2.5 0.7 0.4 ! A.983 at 6.47e+06 assign (resid 92 and name HA ) (resid 95 and name HN ) 4.0 2.2 1.0 ! A.792 at 1.36e+06 assign (resid 92 and name HN ) (resid 95 and name HB2 ) 4.0 2.2 1.0 ! A.990 at 8.76e+05 assign (resid 92 and name HG1 ) (resid 96 and name HN ) 4.5 2.2 2.0 ! A.1325 at 2.63e+05 ! Q93 assign (resid 93 and name HE21 ) (resid 93 and name HN ) 3.5 1.2 0.5 ! A.1018 at 4.30e+06 assign (resid 93 and name HB1 ) (resid 93 and name HN ) 2.5 0.7 0.4 ! A.1023 at 2.16e+07 assign (resid 93 and name HG1 ) (resid 93 and name HN ) 4.0 1.2 1.0 ! A.1022 at 3.61e+06 C assign (resid 93 and name HB1 ) (resid 93 and name HE22 ) 3.5 1.2 0.5 ! A.1562 at 3.24e+06 assign (resid 93 and name HB1 ) (resid 93 and name HE21 ) 3.5 1.2 0.5 ! A.1561 at 4.10e+06 assign (resid 93 and name HG1 ) (resid 93 and name HE21 ) 3.5 1.2 0.5 ! A.1559 at 2.55e+06 assign (resid 93 and name HG1 ) (resid 93 and name HE22 ) 4.5 2.2 2.0 ! A.1560 at 3.28e+05 assign (resid 93 and name HA ) (resid 93 and name HE21 ) 4.5 2.2 2.0 ! A.1550 at 1.63e+05 assign (resid 93 and name HA ) (resid 93 and name HE22 ) 4.5 2.2 2.0 ! A.1551 at 4.50e+05 assign (resid 93 and name HE22 ) (resid 94 and name HN ) 4.5 2.2 2.0 ! A.756 at 2.01e+05 assign (resid 93 and name HN ) (resid 94 and name HD1# ) 4.0 2.2 1.5 ! A.1024 at 8.96e+05 assign (resid 93 and name HE22 ) (resid 94 and name HG ) 3.5 1.2 0.5 ! A.1566 at 2.61e+06 assign (resid 93 and name HE21 ) (resid 94 and name HG ) 3.5 1.2 0.5 ! A.1565 at 2.24e+06 assign (resid 93 and name HE21 ) (resid 94 and name HB2 ) 4.5 2.2 2.0 ! A.1564 at 3.94e+05 assign (resid 93 and name HE22 ) (resid 94 and name HA ) 4.5 2.2 2.0 ! A.1554 at 2.88e+05 assign (resid 93 and name HB1 ) (resid 94 and name HN ) 2.5 0.7 0.4 ! A.760 at 1.11e+07 assign (resid 93 and name HN ) (resid 94 and name HN ) 2.5 0.7 0.4 ! A.755 at 6.47e+06 assign (resid 93 and name HN ) (resid 94 and name HB# ) 3.5 1.2 1.0 ! A.814 at 1.57e+06 assign (resid 93 and name HE21 ) (resid 94 and name HD1# ) 3.5 1.2 1.0 ! A.1480 at 1.75e+06 assign (resid 93 and name HN ) (resid 95 and name HN ) 4.5 2.2 2.0 ! A.789 at 5.30e+05 assign (resid 93 and name HA ) (resid 95 and name HN ) 4.5 2.2 2.0 ! A.790 at 3.68e+05 assign (resid 93 and name HE21 ) (resid 97 and name HA ) 4.0 2.2 1.0 ! A.1555 at 1.17e+06 assign (resid 93 and name HE22 ) (resid 97 and name HA ) 4.0 2.2 1.0 ! A.1556 at 1.02e+06 assign (resid 93 and name HE22 ) (resid 97 and name HG2# ) 4.0 2.2 1.5 ! A.1567 at 1.48e+06 !assign (resid 93 and name HE21 ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.1540 at 2.60e+05 !assign (resid 93 and name HE22 ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.1541 at 2.34e+05 ! L94 assign (resid 94 and name HB2 ) (resid 94 and name HN ) 4.5 2.2 2.0 ! A.762 at 5.39e+05 assign (resid 94 and name HG ) (resid 94 and name HN ) 4.0 2.2 1.0 ! A.763 at 1.43e+06 assign (resid 94 and name HB1 ) (resid 94 and name HN ) 3.5 1.2 0.5 ! A.761 at 4.15e+06 assign (resid 94 and name HD1# ) (resid 94 and name HN ) 2.5 0.7 0.9 ! A.765 at 6.39e+06 assign (resid 94 and name HN ) (resid 95 and name HN ) 2.5 0.7 0.4 ! A.676 at 6.27e+06 assign (resid 94 and name HN ) (resid 95 and name HA ) 4.5 2.2 2.0 ! A.759 at 1.96e+05 assign (resid 94 and name HB1 ) (resid 96 and name HN ) 4.5 2.2 2.0 ! A.1327 at 3.62e+05 assign (resid 94 and name HB2 ) (resid 96 and name HN ) 4.0 2.2 1.0 ! A.1329 at 1.40e+06 ! K95 assign (resid 95 and name HB2 ) (resid 95 and name HN ) 2.5 0.7 0.4 ! A.797 at 1.12e+07 assign (resid 95 and name HD1 ) (resid 95 and name HN ) 4.5 2.2 2.0 ! A.798 at 2.15e+05 assign (resid 95 and name HG1 ) (resid 95 and name HN ) 3.5 1.2 0.5 ! A.800 at 2.27e+06 assign (resid 95 and name HG1 ) (resid 96 and name HN ) 4.5 2.2 2.0 ! A.1331 at 8.23e+04 assign (resid 95 and name HN ) (resid 96 and name HN ) 2.5 0.7 0.4 ! A.677 at 4.64e+06 assign (resid 95 and name HB2 ) (resid 96 and name HN ) 4.5 2.2 2.0 ! A.1328 at 3.87e+05 assign (resid 95 and name HA ) (resid 96 and name HN ) 4.5 2.2 2.0 ! A.1324 at 3.28e+05 assign (resid 95 and name HB1 ) (resid 96 and name HN ) 3.5 1.2 0.5 ! A.1326 at 4.20e+06 ! T96 assign (resid 96 and name HG2# ) (resid 96 and name HN ) 3.5 1.2 1.0 ! A.1332 at 4.49e+06 assign (resid 96 and name HB ) (resid 96 and name HN ) 2.5 0.7 0.4 ! A.1320 at 1.10e+07 assign (resid 96 and name HA ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.438 at 3.76e+05 assign (resid 96 and name HN ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.1315 at 4.66e+05 assign (resid 96 and name HG2# ) (resid 99 and name HN ) 4.5 2.2 2.5 ! A.838 at 4.11e+05 assign (resid 96 and name HN ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.1316 at 4.47e+05 ! T97 assign (resid 97 and name HG2# ) (resid 97 and name HN ) 4.0 2.2 1.5 ! A.425 at 1.41e+06 assign (resid 97 and name HB ) (resid 98 and name HN ) 2.5 0.7 0.4 ! A.436 at 5.06e+06 assign (resid 97 and name HN ) (resid 98 and name HN ) 2.5 0.7 0.4 ! A.408 at 5.05e+06 assign (resid 97 and name HG2# ) (resid 99 and name HN ) 4.5 2.2 2.5 ! A.840 at 3.52e+05 assign (resid 97 and name HA ) (resid 100 and name HN ) 3.5 1.2 0.5 ! A.513 at 3.54e+06 ! I98 assign (resid 98 and name HG11 ) (resid 98 and name HN ) 2.5 0.7 0.4 ! A.445 at 1.00e+07 assign (resid 98 and name HB ) (resid 98 and name HN ) 2.5 0.7 0.4 ! A.443 at 1.72e+07 assign (resid 98 and name HN ) (resid 99 and name HN ) 3.5 1.2 0.5 ! A.822 at 4.04e+06 assign (resid 98 and name HG2# ) (resid 99 and name HN ) 3.5 1.2 1.0 ! A.839 at 2.53e+06 assign (resid 98 and name HN ) (resid 101 and name HD1 ) 4.5 2.2 2.0 ! A.434 at 1.49e+05 assign (resid 98 and name HN ) (resid 101 and name HB2 ) 4.5 2.2 2.0 ! A.441 at 2.05e+05 !assign (resid 98 and name HG2# ) (resid 103 and name HN ) 4.5 2.2 2.5 ! A.944 at 3.91e+05 !assign (resid 98 and name HA ) (resid 103 and name HE21 ) 4.5 2.2 2.0 ! A.1528 at 1.27e+05 !assign (resid 98 and name HG2# ) (resid 103 and name HE22 ) 4.5 2.2 2.5 ! A.1538 at 6.37e+05 !assign (resid 98 and name HG2# ) (resid 103 and name HE21 ) 4.5 2.2 2.5 ! A.1537 at 6.87e+05 ! R99 assign (resid 99 and name HB1 ) (resid 99 and name HN ) 2.5 0.7 0.4 ! A.834 at 2.06e+07 assign (resid 99 and name HG1 ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.835 at 1.51e+05 assign (resid 99 and name HE ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.825 at 1.68e+05 assign (resid 99 and name HD2 ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.832 at 4.45e+05 assign (resid 99 and name HB1 ) (resid 100 and name HN ) 2.5 0.7 0.4 ! A.514 at 9.68e+06 assign (resid 99 and name HN ) (resid 100 and name HA ) 4.5 2.2 2.0 ! A.828 at 4.38e+05 assign (resid 99 and name HN ) (resid 100 and name HN ) 3.5 1.2 0.5 ! A.823 at 4.30e+06 assign (resid 99 and name HA ) (resid 102 and name HN ) 4.0 2.2 1.0 ! A.526 at 1.36e+06 !assign (resid 99 and name HG1 ) (resid 103 and name HN ) 4.5 2.2 2.0 ! A.941 at 1.99e+05 !assign (resid 99 and name HA ) (resid 103 and name HN ) 4.5 2.2 2.0 ! A.932 at 5.20e+05 !assign (resid 99 and name HN ) (resid 103 and name HE21 ) 4.5 2.2 2.0 ! A.1524 at 2.44e+05 !assign (resid 99 and name HD2 ) (resid 103 and name HE22 ) 4.5 2.2 2.0 ! A.1529 at 5.71e+05 !assign (resid 99 and name HA ) (resid 103 and name HE22 ) 4.5 2.2 2.0 ! A.1526 at 2.40e+05 !assign (resid 99 and name HE ) (resid 103 and name HE21 ) 4.5 2.2 2.0 ! A.1525 at 4.47e+05 ! A100 assign (resid 100 and name HB# ) (resid 100 and name HN ) 2.5 0.7 0.9 ! A.504 at 2.19e+07 assign (resid 100 and name HB# ) (resid 101 and name HN ) 2.5 0.7 0.9 ! A.836 at 8.69e+06 assign (resid 100 and name HA ) (resid 102 and name HN ) 4.5 2.2 2.0 ! A.525 at 3.91e+05 assign (resid 100 and name HB# ) (resid 102 and name HN ) 3.5 1.2 1.0 ! A.530 at 2.84e+06 assign (resid 100 and name HN ) (resid 103 and name HN ) 4.5 2.2 2.0 ! A.926 at 4.10e+05 ! Y101 assign (resid 101 and name HB1 ) (resid 101 and name HN ) 3.5 1.2 0.5 ! A.960 at 4.18e+06 assign (resid 101 and name HE1 ) (resid 101 and name HN ) 4.5 2.2 2.0 ! A.958 at 1.45e+05 assign (resid 101 and name HB2 ) (resid 101 and name HN ) 2.5 0.7 0.4 ! A.961 at 6.68e+06 assign (resid 101 and name HD1 ) (resid 101 and name HN ) 4.5 2.2 2.0 ! A.957 at 1.46e+05 assign (resid 101 and name HD1 ) (resid 102 and name HN ) 4.0 2.2 1.0 ! A.523 at 1.35e+06 assign (resid 101 and name HB2 ) (resid 102 and name HN ) 3.5 1.2 0.5 ! A.528 at 2.69e+06 assign (resid 101 and name HA ) (resid 102 and name HN ) 4.0 2.2 1.0 ! A.524 at 1.05e+06 assign (resid 101 and name HN ) (resid 102 and name HN ) 2.5 0.7 0.4 ! A.821 at 4.53e+06 assign (resid 101 and name HN ) (resid 102 and name HB2 ) 4.5 2.2 2.0 ! A.962 at 2.91e+05 assign (resid 101 and name HA ) (resid 103 and name HN ) 4.5 2.2 2.0 ! A.930 at 2.90e+05 assign (resid 101 and name HA ) (resid 104 and name HN ) 4.0 2.2 1.0 ! A.806 at 1.05e+06 ! N102 assign (resid 102 and name HD21 ) (resid 102 and name HN ) 4.5 2.2 2.0 ! A.522 at 2.39e+05 assign (resid 102 and name HB# ) (resid 102 and name HN ) 2.5 0.7 0.9 ! A.529 at 8.97e+06 assign (resid 102 and name HB2 ) (resid 102 and name HD22 ) 4.5 2.2 2.0 ! A.1602 at 3.05e+05 assign (resid 102 and name HB1 ) (resid 102 and name HD22 ) 4.5 2.2 2.0 ! A.1601 at 3.59e+05 assign (resid 102 and name HB1 ) (resid 102 and name HD21 ) 4.5 2.2 2.0 ! A.1600 at 2.37e+05 assign (resid 102 and name HA ) (resid 102 and name HD21 ) 4.5 2.2 2.0 ! A.1598 at 3.26e+05 assign (resid 102 and name HN ) (resid 103 and name HN ) 2.5 0.7 0.4 ! A.924 at 5.02e+06 assign (resid 102 and name HB2 ) (resid 103 and name HN ) 4.0 2.2 1.0 ! A.938 at 8.22e+05 assign (resid 102 and name HA ) (resid 103 and name HN ) 4.0 2.2 1.0 ! A.935 at 1.41e+06 assign (resid 102 and name HN ) (resid 104 and name HB2 ) 4.5 2.2 2.0 ! A.531 at 2.79e+05 assign (resid 102 and name HA ) (resid 104 and name HN ) 4.5 2.2 2.0 ! A.809 at 2.55e+05 !assign (resid 102 and name HD21 ) (resid 105 and name HA ) 4.5 2.2 2.0 ! A.1596 at 3.54e+05 !assign (resid 102 and name HD21 ) (resid 105 and name HB1 ) 4.5 2.2 2.0 ! A.1599 at 3.26e+05 !assign (resid 102 and name HD22 ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1591 at 3.86e+05 !assign (resid 102 and name HD22 ) (resid 105 and name HA ) 4.5 2.2 2.0 ! A.1597 at 4.54e+05 !assign (resid 102 and name HB2 ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1362 at 6.36e+05 !assign (resid 102 and name HA ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1358 at 7.13e+05 !assign (resid 102 and name HN ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1465 at 2.88e+05 !assign (resid 102 and name HD21 ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1469 at 1.86e+05 !assign (resid 102 and name HD22 ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1593 at 3.03e+05 !assign (resid 102 and name HA ) (resid 106 and name HN ) 4.0 2.2 1.0 ! A.1472 at 1.04e+06 ! Q103 assign (resid 103 and name HE22 ) (resid 103 and name HN ) 4.5 2.2 2.0 ! A.929 at 4.32e+05 assign (resid 103 and name HE21 ) (resid 103 and name HN ) 3.5 1.2 0.5 ! A.927 at 3.50e+06 assign (resid 103 and name HB1 ) (resid 103 and name HN ) 3.5 1.2 0.5 ! A.939 at 3.37e+06 assign (resid 103 and name HG2 ) (resid 103 and name HN ) 3.5 1.2 0.5 ! A.937 at 3.13e+06 assign (resid 103 and name HA ) (resid 103 and name HE22 ) 4.5 1.2 0.5 ! A.1527 at 1.52e+06 C assign (resid 103 and name HG2 ) (resid 103 and name HE21 ) 4.5 2.2 2.0 ! A.1530 at 3.68e+05 assign (resid 103 and name HG1 ) (resid 103 and name HE22 ) 4.5 2.2 2.0 ! A.1493 at 4.30e+05 assign (resid 103 and name HG1 ) (resid 103 and name HE21 ) 4.0 2.2 1.0 ! A.1514 at 1.32e+06 assign (resid 103 and name HN ) (resid 104 and name HB2 ) 4.5 2.2 2.0 ! A.943 at 2.23e+05 assign (resid 103 and name HE22 ) (resid 104 and name HB1 ) 4.5 2.2 2.0 ! A.1534 at 7.86e+05 assign (resid 103 and name HE22 ) (resid 104 and name HG1 ) 4.0 2.2 1.0 ! A.1539 at 1.30e+06 assign (resid 103 and name HE22 ) (resid 104 and name HB2 ) 4.0 2.2 1.0 ! A.1536 at 9.52e+05 assign (resid 103 and name HE21 ) (resid 104 and name HB2 ) 4.0 2.2 1.0 ! A.1535 at 1.15e+06 assign (resid 103 and name HN ) (resid 104 and name HN ) 2.5 0.7 0.4 ! A.803 at 1.23e+07 assign (resid 103 and name HE21 ) (resid 104 and name HB1 ) 4.0 2.2 1.0 ! A.1533 at 1.47e+06 assign (resid 103 and name HE21 ) (resid 106 and name HN ) 4.5 2.2 1.0 ! A.1468 at 9.74e+05 ! K104 assign (resid 104 and name HD2 ) (resid 104 and name HN ) 4.5 2.2 2.0 ! A.819 at 1.21e+06 C assign (resid 104 and name HB2 ) (resid 104 and name HN ) 4.5 2.2 2.0 ! A.816 at 3.46e+05 assign (resid 104 and name HN ) (resid 105 and name HN ) 3.5 1.2 0.5 ! A.1287 at 4.17e+06 assign (resid 104 and name HD1 ) (resid 105 and name HN ) 4.0 2.2 1.0 ! A.1339 at 1.26e+06 assign (resid 104 and name HG1 ) (resid 105 and name HN ) 4.0 1.2 1.0 ! A.1298 at 1.74e+06 assign (resid 104 and name HG1 ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1481 at 3.48e+05 assign (resid 104 and name HB1 ) (resid 106 and name HN ) 4.0 2.2 1.0 ! A.1477 at 1.26e+06 assign (resid 104 and name HB2 ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1478 at 1.73e+05 ! Y105 assign (resid 105 and name HD1 ) (resid 105 and name HN ) 2.5 0.7 0.4 ! A.1353 at 6.25e+06 assign (resid 105 and name HB2 ) (resid 105 and name HN ) 3.5 1.2 0.5 ! A.1360 at 3.51e+06 assign (resid 105 and name HB1 ) (resid 105 and name HN ) 3.5 1.2 0.5 ! A.1359 at 2.94e+06 assign (resid 105 and name HB2 ) (resid 106 and name HN ) 4.0 2.2 1.0 ! A.1473 at 1.05e+06 assign (resid 105 and name HA ) (resid 106 and name HN ) 4.0 2.2 1.0 ! A.1470 at 1.29e+06 assign (resid 105 and name HN ) (resid 106 and name HN ) 2.5 0.7 0.4 ! A.1466 at 6.63e+06 ! G106 !@ END_XPLR_NOE_FILE ! pck2xplr.nawk Table; Input File: cnoeC1C.PCK ! Date: Fri Jun 27 14:36:18 EDT 2003 ! Path: /home/fengh/My_xplor/ING_new2 ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A cnoeC1C.PCK 536 93 131 189 123 ! Total 536 93 131 189 123 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! A1 assign (resid 1 and name HA ) (resid 2 and name HA ) 4.5 2.2 2.0 ! A.61 at 2.47e+06 assign (resid 1 and name HB# ) (resid 2 and name HA ) 4.5 2.2 2.5 ! A.63 at 7.79e+06 ! D2 assign (resid 2 and name HA ) (resid 3 and name HA ) 4.5 2.2 2.0 ! A.259 at 4.74e+06 assign (resid 2 and name HB1 ) (resid 3 and name HA ) 3.5 1.2 0.5 ! A.260 at 1.97e+07 assign (resid 2 and name HB2 ) (resid 3 and name HA ) 4.5 2.2 2.0 ! A.261 at 5.67e+06 assign (resid 2 and name HB2 ) (resid 3 and name HD2# ) 4.5 2.2 2.5 ! A.484 at 4.09e+06 ! L3 assign (resid 3 and name HA ) (resid 3 and name HD2# ) 4.0 2.2 1.5 ! A.926 at 1.39e+07 assign (resid 3 and name HB1 ) (resid 3 and name HD2# ) 4.0 2.2 1.5 ! A.928 at 1.34e+07 assign (resid 3 and name HB1 ) (resid 3 and name HD1# ) 3.5 1.2 1.0 ! A.862 at 2.42e+07 assign (resid 3 and name HA ) (resid 3 and name HD1# ) 3.5 1.2 1.0 ! A.861 at 2.40e+07 assign (resid 3 and name HB1 ) (resid 4 and name HA ) 4.5 2.2 2.0 ! A.99 at 1.94e+06 assign (resid 3 and name HA ) (resid 6 and name HB1 ) 3.5 1.2 0.5 ! A.262 at 1.77e+07 assign (resid 3 and name HD2# ) (resid 6 and name HB1 ) 4.5 2.2 2.5 ! A.528 at 1.35e+06 assign (resid 3 and name HA ) (resid 7 and name HB2 ) 4.5 2.2 2.0 ! A.263 at 4.71e+06 assign (resid 3 and name HD2# ) (resid 43 and name HA ) 4.5 2.2 2.5 ! A.927 at 1.62e+06 assign (resid 3 and name HD2# ) (resid 43 and name HB# ) 3.5 1.2 1.5 ! A.930 at 2.24e+07 assign (resid 3 and name HA ) (resid 43 and name HB# ) 4.0 2.2 1.5 ! A.265 at 9.85e+06 assign (resid 3 and name HD1# ) (resid 43 and name HB# ) 3.5 1.2 1.5 ! A.771 at 4.23e+07 assign (resid 3 and name HD1# ) (resid 43 and name HA ) 3.5 1.2 1.0 ! A.106 at 1.96e+07 assign (resid 3 and name HG ) (resid 45 and name HA ) 4.5 2.2 2.0 ! A.813 at 1.61e+06 assign (resid 3 and name HB1 ) (resid 45 and name HD1 ) 4.5 2.2 2.0 ! A.708 at 1.02e+06 assign (resid 3 and name HB2 ) (resid 45 and name HB1 ) 4.5 2.2 2.0 ! A.727 at 4.57e+06 ! E4 assign (resid 4 and name HB2 ) (resid 5 and name HA ) 3.5 1.2 0.5 ! A.578 at 1.63e+07 assign (resid 4 and name HA ) (resid 6 and name HB1 ) 4.5 2.2 2.0 ! A.100 at 5.03e+06 ! D5 ! N6 assign (resid 6 and name HB1 ) (resid 9 and name HB ) 4.5 2.2 2.0 ! A.527 at 9.03e+05 assign (resid 6 and name HB2 ) (resid 40 and name HA ) 4.5 2.2 2.0 ! A.545 at 2.63e+06 assign (resid 6 and name HB1 ) (resid 40 and name HA ) 4.0 2.2 1.0 ! A.319 at 8.31e+06 assign (resid 6 and name HB1 ) (resid 43 and name HB# ) 4.5 2.2 2.5 ! A.770 at 5.37e+06 ! W7 assign (resid 7 and name HA ) (resid 8 and name HB1 ) 4.5 2.2 2.0 ! A.576 at 7.65e+06 assign (resid 7 and name HA ) (resid 10 and name HD2# ) 3.5 1.2 1.0 ! A.888 at 2.18e+07 assign (resid 7 and name HA ) (resid 10 and name HG ) 3.5 1.2 0.5 ! A.21 at 2.91e+07 assign (resid 7 and name HB1 ) (resid 10 and name HD2# ) 4.5 2.2 2.5 ! A.889 at 2.62e+06 assign (resid 7 and name HB1 ) (resid 11 and name HB2 ) 4.0 2.2 1.0 ! A.351 at 9.05e+06 assign (resid 7 and name HA ) (resid 11 and name HB1 ) 4.5 2.2 2.0 ! A.19 at 8.89e+06 assign (resid 7 and name HB2 ) (resid 11 and name HB2 ) 4.5 2.2 2.0 ! A.466 at 4.74e+06 ! E8 assign (resid 8 and name HG2 ) (resid 8 and name HA ) 3.5 1.2 0.5 ! A.138 at 3.14e+07 assign (resid 8 and name HA ) (resid 8 and name HG1 ) 3.5 1.2 0.5 ! A.513 at 2.22e+07 assign (resid 8 and name HB1 ) (resid 9 and name HB ) 4.5 2.2 2.0 ! A.575 at 2.36e+06 assign (resid 8 and name HG2 ) (resid 9 and name HA ) 3.5 1.2 0.5 ! A.209 at 1.97e+07 assign (resid 8 and name HA ) (resid 11 and name HB1 ) 3.5 1.2 0.5 ! A.459 at 1.75e+07 assign (resid 8 and name HB1 ) (resid 11 and name HB1 ) 4.0 2.2 1.0 ! A.580 at 8.04e+06 assign (resid 8 and name HB1 ) (resid 12 and name HB1 ) 4.0 2.2 1.0 ! A.461 at 8.01e+06 assign (resid 8 and name HG2 ) (resid 12 and name HB1 ) 3.5 1.2 0.5 ! A.524 at 1.58e+07 ! T9 assign (resid 9 and name HG2# ) (resid 10 and name HB2 ) 4.0 2.2 1.5 ! A.678 at 1.01e+07 assign (resid 9 and name HG2# ) (resid 10 and name HA ) 4.0 2.2 1.5 ! A.846 at 9.99e+06 assign (resid 9 and name HB ) (resid 12 and name HB1 ) 4.5 2.2 2.0 ! A.457 at 2.84e+06 assign (resid 9 and name HG2# ) (resid 12 and name HB1 ) 4.0 2.2 1.5 ! A.462 at 9.14e+06 assign (resid 9 and name HA ) (resid 12 and name HB2 ) 4.5 2.2 2.0 ! A.458 at 6.50e+06 assign (resid 9 and name HA ) (resid 12 and name HB1 ) 3.5 1.2 0.5 ! A.163 at 3.51e+07 assign (resid 9 and name HG2# ) (resid 13 and name HB2 ) 4.0 2.2 1.5 ! A.532 at 1.20e+07 assign (resid 9 and name HA ) (resid 32 and name HB1 ) 4.5 2.2 2.0 ! A.637 at 1.58e+06 ! L10 assign (resid 10 and name HD1# ) (resid 40 and name HB# ) 4.5 2.2 3.0 ! A.934 at 6.59e+06 ! N11 ! D12 ! N13 assign (resid 13 and name HB1 ) (resid 14 and name HD1# ) 3.5 1.2 1.0 ! A.504 at 2.95e+07 assign (resid 13 and name HA ) (resid 16 and name HG1# ) 3.5 1.2 1.0 ! A.68 at 3.48e+07 assign (resid 13 and name HA ) (resid 16 and name HA ) 4.5 2.2 2.0 ! A.323 at 6.99e+06 assign (resid 13 and name HA ) (resid 16 and name HG2# ) 4.0 2.2 1.5 ! A.69 at 1.06e+07 assign (resid 13 and name HB1 ) (resid 17 and name HG12 ) 4.0 2.2 1.0 ! A.880 at 1.19e+07 assign (resid 13 and name HB1 ) (resid 17 and name HB ) 4.5 2.2 2.0 ! A.503 at 2.45e+06 assign (resid 13 and name HA ) (resid 29 and name HB# ) 4.0 2.2 1.5 ! A.70 at 8.39e+06 assign (resid 13 and name HB1 ) (resid 29 and name HA ) 4.5 2.2 2.0 ! A.500 at 6.20e+06 assign (resid 13 and name HB1 ) (resid 29 and name HB# ) 3.5 1.2 1.0 ! A.498 at 1.86e+07 assign (resid 13 and name HB1 ) (resid 33 and name HA ) 4.5 2.2 2.0 ! A.501 at 9.19e+05 assign (resid 13 and name HB2 ) (resid 33 and name HA ) 4.0 2.2 1.0 ! A.529 at 1.46e+07 assign (resid 13 and name HB1 ) (resid 33 and name HB1 ) 4.5 2.2 2.0 ! A.492 at 7.22e+06 assign (resid 13 and name HA ) (resid 33 and name HG1 ) 4.5 2.2 2.0 ! A.66 at 4.58e+06 ! L14 assign (resid 14 and name HD1# ) (resid 14 and name HB2 ) 2.5 0.7 0.9 ! A.707 at 9.93e+07 assign (resid 14 and name HA ) (resid 17 and name HA ) 4.5 2.2 2.0 ! A.168 at 5.90e+06 assign (resid 14 and name HA ) (resid 17 and name HB ) 3.5 1.2 0.5 ! A.641 at 4.41e+07 assign (resid 14 and name HD2# ) (resid 17 and name HB ) 3.0 0.7 0.9 ! A.642 at 1.16e+08 assign (resid 14 and name HD2# ) (resid 91 and name HA ) 2.5 0.7 0.9 ! A.201 at 5.72e+07 assign (resid 14 and name HB1 ) (resid 91 and name HB# ) 3.5 1.2 1.0 ! A.651 at 2.26e+07 assign (resid 14 and name HD1# ) (resid 95 and name HD1 ) 4.0 2.2 1.5 ! A.890 at 1.38e+07 assign (resid 14 and name HD1# ) (resid 95 and name HE1 ) 3.5 1.2 1.0 ! A.439 at 2.84e+07 ! K15 assign (resid 15 and name HE1 ) (resid 15 and name HA ) 4.0 1.2 1.0 ! A.173 at 1.72e+07 C assign (resid 15 and name HB1 ) (resid 15 and name HE1 ) 3.5 1.2 0.5 ! A.448 at 2.06e+07 assign (resid 15 and name HG2 ) (resid 15 and name HA ) 3.5 1.2 0.5 ! A.175 at 1.72e+07 assign (resid 15 and name HE1 ) (resid 16 and name HA ) 4.5 2.2 2.0 ! A.446 at 2.94e+06 assign (resid 15 and name HE1 ) (resid 16 and name HG1# ) 3.5 1.2 1.0 ! A.853 at 2.39e+07 assign (resid 15 and name HD1 ) (resid 16 and name HA ) 4.5 2.2 2.0 ! A.328 at 7.01e+06 assign (resid 15 and name HG2 ) (resid 16 and name HA ) 4.5 2.2 2.0 ! A.330 at 4.09e+06 assign (resid 15 and name HA ) (resid 17 and name HB ) 4.0 2.2 1.0 ! A.174 at 1.47e+07 assign (resid 15 and name HG2 ) (resid 18 and name HG1 ) 4.0 2.2 1.0 ! A.802 at 9.44e+06 assign (resid 15 and name HA ) (resid 18 and name HG2 ) 4.0 2.2 1.0 ! A.165 at 1.25e+07 assign (resid 15 and name HG1 ) (resid 19 and name HE1 ) 3.5 1.2 0.5 ! A.438 at 3.00e+07 assign (resid 15 and name HG2 ) (resid 19 and name HD1 ) 4.5 2.2 2.0 ! A.726 at 2.38e+06 assign (resid 15 and name HG2 ) (resid 19 and name HA ) 4.5 1.2 1.0 ! A.97 at 1.98e+07 C ! V16 assign (resid 16 and name HG2# ) (resid 16 and name HA ) 3.5 1.2 1.0 ! A.331 at 2.06e+07 assign (resid 16 and name HA ) (resid 19 and name HA ) 4.5 2.2 2.0 ! A.324 at 5.31e+06 assign (resid 16 and name HA ) (resid 19 and name HD1 ) 4.5 2.2 2.0 ! A.724 at 3.81e+06 assign (resid 16 and name HG1# ) (resid 20 and name HB# ) 3.5 1.2 1.5 ! A.855 at 3.63e+07 assign (resid 16 and name HG1# ) (resid 20 and name HA ) 3.5 1.2 1.0 ! A.171 at 2.82e+07 assign (resid 16 and name HB ) (resid 26 and name HA ) 4.5 2.2 2.0 ! A.566 at 2.57e+06 assign (resid 16 and name HB ) (resid 29 and name HB# ) 3.5 1.2 1.0 ! A.569 at 2.72e+07 ! I17 assign (resid 17 and name HA ) (resid 17 and name HG12 ) 4.0 2.2 1.0 ! A.878 at 1.10e+07 assign (resid 17 and name HA ) (resid 18 and name HA ) 4.5 2.2 2.0 ! A.217 at 5.17e+06 assign (resid 17 and name HB ) (resid 18 and name HA ) 4.0 2.2 1.0 ! A.194 at 1.32e+07 assign (resid 17 and name HA ) (resid 20 and name HB# ) 4.5 2.2 2.5 ! A.804 at 7.66e+06 assign (resid 17 and name HB ) (resid 20 and name HB# ) 4.0 2.2 1.5 ! A.807 at 1.32e+07 assign (resid 17 and name HB ) (resid 26 and name HG2# ) 4.5 2.2 2.5 ! A.902 at 6.05e+06 assign (resid 17 and name HG12 ) (resid 29 and name HA ) 4.0 2.2 1.0 ! A.879 at 8.36e+06 assign (resid 17 and name HB ) (resid 29 and name HB# ) 4.0 2.2 1.5 ! A.757 at 1.28e+07 assign (resid 17 and name HG12 ) (resid 30 and name HG ) 3.5 1.2 0.5 ! A.774 at 3.59e+07 assign (resid 17 and name HB ) (resid 91 and name HB# ) 3.5 1.2 1.0 ! A.592 at 2.84e+07 ! E18 assign (resid 18 and name HA ) (resid 18 and name HG1 ) 3.5 1.2 0.5 ! A.561 at 2.74e+07 assign (resid 18 and name HG1 ) (resid 88 and name HA ) 4.0 2.2 1.0 ! A.560 at 1.33e+07 assign (resid 18 and name HG1 ) (resid 91 and name HB# ) 4.0 2.2 1.5 ! A.759 at 1.24e+07 !assign (resid 18 and name HG1 ) (resid 95 and name HE1 ) 4.0 2.2 1.0 ! A.562 at 1.03e+07 ! K19 assign (resid 19 and name HA ) (resid 19 and name HD1 ) 3.5 1.2 0.5 ! A.725 at 2.23e+07 assign (resid 19 and name HE1 ) (resid 19 and name HA ) 4.0 1.2 1.0 ! A.95 at 4.39e+07 C assign (resid 19 and name HE1 ) (resid 19 and name HB2 ) 2.5 0.7 0.4 ! A.632 at 6.50e+07 assign (resid 19 and name HA ) (resid 20 and name HB# ) 4.0 2.2 1.5 ! A.98 at 8.26e+06 assign (resid 19 and name HA ) (resid 21 and name HA ) 4.5 2.2 2.0 ! A.16 at 2.85e+06 ! A20 assign (resid 20 and name HB# ) (resid 22 and name HA ) 4.5 2.2 2.5 ! A.8 at 3.63e+06 assign (resid 20 and name HA ) (resid 25 and name HG1 ) 3.5 1.2 0.5 ! A.170 at 4.10e+07 assign (resid 20 and name HB# ) (resid 25 and name HB1 ) 3.5 1.2 1.0 ! A.808 at 1.60e+07 assign (resid 20 and name HB# ) (resid 25 and name HG1 ) 3.5 1.2 1.0 ! A.574 at 2.45e+07 assign (resid 20 and name HA ) (resid 26 and name HA ) 4.5 2.2 2.0 ! A.341 at 3.59e+06 assign (resid 20 and name HB# ) (resid 26 and name HG1# ) 4.0 2.2 2.0 ! A.809 at 1.08e+07 assign (resid 20 and name HB# ) (resid 26 and name HA ) 4.5 2.2 2.5 ! A.777 at 2.97e+06 !assign (resid 20 and name HB# ) (resid 88 and name HB2 ) 3.5 1.2 1.0 ! A.670 at 1.96e+07 ! D21 ! N22 assign (resid 22 and name HA ) (resid 23 and name HA ) 4.5 2.2 2.0 ! A.278 at 4.19e+06 assign (resid 22 and name HB1 ) (resid 23 and name HA ) 4.5 2.2 2.0 ! A.440 at 4.14e+06 assign (resid 22 and name HB2 ) (resid 23 and name HA ) 4.5 2.2 2.0 ! A.464 at 4.42e+06 assign (resid 22 and name HA ) (resid 23 and name HB# ) 4.0 2.2 1.5 ! A.9 at 8.31e+06 assign (resid 22 and name HA ) (resid 25 and name HG1 ) 4.5 2.2 2.0 ! A.5 at 2.86e+06 !assign (resid 22 and name HB1 ) (resid 25 and name HG1 ) 3.5 1.2 0.5 ! A.442 at 1.94e+07 assign (resid 22 and name HA ) (resid 26 and name HG2# ) 3.5 1.2 1.0 ! A.7 at 2.05e+07 assign (resid 22 and name HA ) (resid 84 and name HB ) 4.5 2.2 2.0 ! A.6 at 2.84e+06 assign (resid 22 and name HA ) (resid 84 and name HG2# ) 4.0 2.2 1.5 ! A.901 at 1.29e+07 ! A23 assign (resid 23 and name HA ) (resid 26 and name HB ) 3.5 1.2 0.5 ! A.604 at 1.88e+07 assign (resid 23 and name HB# ) (resid 26 and name HB ) 3.5 1.2 1.0 ! A.801 at 1.69e+07 assign (resid 23 and name HA ) (resid 79 and name HA ) 3.5 0.7 0.4 ! A.277 at 1.04e+08 C assign (resid 23 and name HB# ) (resid 84 and name HG2# ) 3.5 1.2 1.5 ! A.919 at 4.24e+07 assign (resid 23 and name HA ) (resid 84 and name HG1# ) 3.5 1.2 1.0 ! A.900 at 2.36e+07 ! A24 assign (resid 24 and name HB# ) (resid 25 and name HG1 ) 4.0 2.2 1.5 ! A.541 at 1.45e+07 ! Q25 assign (resid 25 and name HA ) (resid 26 and name HA ) 4.5 2.2 2.0 ! A.340 at 1.48e+06 assign (resid 25 and name HB1 ) (resid 26 and name HA ) 4.5 2.2 2.0 ! A.345 at 1.11e+06 assign (resid 25 and name HA ) (resid 28 and name HB2 ) 4.0 2.2 1.0 ! A.495 at 1.45e+07 ! V26 assign (resid 26 and name HG1# ) (resid 27 and name HA ) 3.5 1.2 1.0 ! A.858 at 3.14e+07 assign (resid 26 and name HB ) (resid 27 and name HA ) 3.5 1.2 0.5 ! A.603 at 1.86e+07 assign (resid 26 and name HG2# ) (resid 27 and name HD1 ) 4.5 2.2 2.5 ! A.904 at 2.59e+06 assign (resid 26 and name HA ) (resid 27 and name HG1 ) 4.5 2.2 2.0 ! A.346 at 6.63e+06 assign (resid 26 and name HA ) (resid 28 and name HB2 ) 4.0 2.2 1.0 ! A.343 at 1.21e+07 assign (resid 26 and name HA ) (resid 29 and name HB# ) 4.5 2.2 2.5 ! A.743 at 3.74e+06 assign (resid 26 and name HA ) (resid 30 and name HB2 ) 4.5 2.2 2.0 ! A.342 at 2.41e+06 assign (resid 26 and name HG2# ) (resid 79 and name HA ) 4.5 2.2 2.5 ! A.899 at 4.35e+06 assign (resid 26 and name HB ) (resid 79 and name HA ) 4.0 2.2 1.0 ! A.288 at 1.15e+07 assign (resid 26 and name HB ) (resid 79 and name HB# ) 4.0 2.2 1.5 ! A.608 at 8.73e+06 assign (resid 26 and name HB ) (resid 84 and name HA ) 4.0 2.2 1.0 ! A.374 at 8.35e+06 assign (resid 26 and name HG1# ) (resid 87 and name HA ) 4.0 2.2 1.5 ! A.185 at 1.40e+07 assign (resid 26 and name HG1# ) (resid 87 and name HB# ) 2.5 0.7 1.4 ! A.860 at 6.57e+07 ! K27 assign (resid 27 and name HE2 ) (resid 27 and name HB1 ) 3.5 1.2 0.5 ! A.669 at 2.23e+07 assign (resid 27 and name HA ) (resid 28 and name HA ) 4.5 2.2 2.0 ! A.77 at 2.35e+06 assign (resid 27 and name HB1 ) (resid 28 and name HA ) 3.5 1.2 0.5 ! A.657 at 2.23e+07 assign (resid 27 and name HA ) (resid 28 and name HB2 ) 4.5 2.2 2.0 ! A.283 at 7.27e+06 assign (resid 27 and name HA ) (resid 30 and name HB2 ) 3.5 1.2 0.5 ! A.676 at 2.22e+07 assign (resid 27 and name HA ) (resid 79 and name HB# ) 4.0 2.2 1.5 ! A.824 at 1.24e+07 assign (resid 27 and name HG1 ) (resid 80 and name HA ) 4.0 1.2 1.0 ! A.744 at 2.27e+07 C assign (resid 27 and name HB1 ) (resid 80 and name HA ) 4.0 1.2 1.0 ! A.618 at 2.53e+07 C assign (resid 27 and name HG1 ) (resid 80 and name HB1 ) 4.0 1.2 1.0 ! A.747 at 1.68e+07 ! D28 assign (resid 28 and name HB2 ) (resid 29 and name HA ) 3.5 1.2 0.5 ! A.145 at 2.66e+07 assign (resid 28 and name HB1 ) (resid 32 and name HG1 ) 4.0 2.2 1.0 ! A.740 at 1.24e+07 assign (resid 28 and name HA ) (resid 32 and name HG1 ) 4.0 2.2 1.0 ! A.120 at 1.48e+07 ! A29 ! L30 assign (resid 30 and name HB2 ) (resid 30 and name HD1# ) 4.0 2.2 1.5 ! A.893 at 1.36e+07 assign (resid 30 and name HD1# ) (resid 30 and name HB1 ) 2.5 0.7 0.9 ! A.645 at 1.32e+08 assign (resid 30 and name HA ) (resid 72 and name HA ) 4.5 2.2 2.0 ! A.193 at 1.92e+06 assign (resid 30 and name HB1 ) (resid 72 and name HA ) 4.5 2.2 2.0 ! A.312 at 1.71e+06 assign (resid 30 and name HD1# ) (resid 72 and name HG2# ) 2.5 0.7 1.4 ! A.895 at 3.36e+08 assign (resid 30 and name HD1# ) (resid 76 and name HB1 ) 4.0 2.2 1.5 ! A.894 at 9.26e+06 assign (resid 30 and name HB1 ) (resid 79 and name HB# ) 3.5 1.2 1.0 ! A.826 at 3.62e+07 assign (resid 30 and name HD1# ) (resid 79 and name HB# ) 2.5 0.7 1.4 ! A.812 at 1.06e+08 ! T31 assign (resid 31 and name HB ) (resid 32 and name HD1 ) 4.5 2.2 2.0 ! A.722 at 2.26e+06 assign (resid 31 and name HA ) (resid 32 and name HB2 ) 4.5 2.2 2.0 ! A.706 at 2.92e+06 assign (resid 31 and name HB ) (resid 32 and name HB2 ) 3.5 1.2 0.5 ! A.78 at 1.96e+07 ! K32 assign (resid 32 and name HG1 ) (resid 32 and name HA ) 3.5 1.2 0.5 ! A.192 at 1.61e+07 assign (resid 32 and name HB1 ) (resid 35 and name HB# ) 3.5 1.2 1.0 ! A.796 at 2.84e+07 ! M33 assign (resid 33 and name HA ) (resid 36 and name HB# ) 4.0 2.2 1.5 ! A.793 at 1.44e+07 ! R34 assign (resid 34 and name HD1 ) (resid 34 and name HA ) 4.5 2.2 2.0 ! A.299 at 1.23e+06 assign (resid 34 and name HG1 ) (resid 34 and name HA ) 3.5 1.2 0.5 ! A.300 at 2.26e+07 assign (resid 34 and name HA ) (resid 37 and name HB# ) 3.5 1.2 1.0 ! A.303 at 2.27e+07 assign (resid 34 and name HA ) (resid 38 and name HG ) 4.5 2.2 2.0 ! A.301 at 3.40e+06 assign (resid 34 and name HG1 ) (resid 69 and name HA ) 4.5 2.2 2.0 ! A.666 at 1.51e+06 assign (resid 34 and name HA ) (resid 69 and name HA ) 4.5 2.2 2.0 ! A.354 at 1.82e+06 assign (resid 34 and name HG1 ) (resid 70 and name HA2 ) 4.5 2.2 2.0 ! A.667 at 2.46e+06 assign (resid 34 and name HD1 ) (resid 73 and name HB2 ) 3.5 1.2 0.5 ! A.454 at 4.07e+07 assign (resid 34 and name HD1 ) (resid 76 and name HB1 ) 4.5 2.2 2.0 ! A.397 at 2.63e+06 assign (resid 34 and name HD1 ) (resid 76 and name HD1# ) 3.5 1.2 1.0 ! A.398 at 1.82e+07 ! A35 ! A36 assign (resid 36 and name HA ) (resid 39 and name HB1 ) 3.5 1.2 0.5 ! A.191 at 2.21e+07 assign (resid 36 and name HB# ) (resid 39 and name HB1 ) 4.5 2.2 2.5 ! A.803 at 1.58e+06 ! A37 assign (resid 37 and name HA ) (resid 40 and name HB# ) 4.0 2.2 1.5 ! A.275 at 1.50e+07 assign (resid 37 and name HA ) (resid 41 and name HA ) 4.5 2.2 2.0 ! A.380 at 2.24e+06 assign (resid 37 and name HB# ) (resid 69 and name HA ) 4.5 2.2 2.5 ! A.792 at 2.63e+06 ! L38 assign (resid 38 and name HA ) (resid 38 and name HD2# ) 3.5 1.2 1.0 ! A.908 at 2.88e+07 assign (resid 38 and name HD2# ) (resid 38 and name HB1 ) 2.5 0.7 0.9 ! A.713 at 7.20e+07 assign (resid 38 and name HB2 ) (resid 38 and name HD2# ) 2.5 0.7 0.9 ! A.877 at 4.96e+07 assign (resid 38 and name HA ) (resid 41 and name HB2 ) 4.0 1.2 1.0 ! A.246 at 2.39e+07 C ! D39 assign (resid 39 and name HB1 ) (resid 40 and name HA ) 4.5 2.2 2.0 ! A.318 at 2.50e+06 assign (resid 39 and name HB1 ) (resid 40 and name HB# ) 4.5 2.2 2.5 ! A.933 at 1.70e+06 assign (resid 39 and name HA ) (resid 41 and name HB2 ) 4.0 1.2 1.0 ! A.125 at 3.51e+07 C assign (resid 39 and name HA ) (resid 42 and name HE1 ) 4.5 2.2 2.0 ! A.435 at 6.23e+06 ! A40 assign (resid 40 and name HB# ) (resid 41 and name HA ) 4.5 2.2 2.5 ! A.385 at 3.95e+06 assign (resid 40 and name HA ) (resid 42 and name HB2 ) 4.0 2.2 1.0 ! A.320 at 9.34e+06 assign (resid 40 and name HA ) (resid 43 and name HB# ) 4.0 2.2 1.5 ! A.321 at 1.42e+07 assign (resid 40 and name HA ) (resid 43 and name HA ) 4.5 2.2 2.0 ! A.317 at 3.80e+06 ! Q41 assign (resid 41 and name HA ) (resid 42 and name HB2 ) 4.5 2.2 2.0 ! A.382 at 3.52e+06 assign (resid 41 and name HB2 ) (resid 42 and name HB2 ) 4.5 2.2 2.0 ! A.736 at 1.31e+07 C assign (resid 41 and name HG1 ) (resid 42 and name HG1 ) 4.5 2.2 2.0 ! A.522 at 3.90e+06 assign (resid 41 and name HG1 ) (resid 62 and name HA ) 4.5 2.2 2.0 ! A.564 at 7.82e+06 assign (resid 41 and name HB2 ) (resid 62 and name HA ) 4.5 2.2 2.0 ! A.732 at 2.33e+06 assign (resid 41 and name HA ) (resid 62 and name HA ) 4.5 2.2 2.0 ! A.244 at 3.33e+06 assign (resid 41 and name HG2 ) (resid 65 and name HA ) 4.5 2.2 2.0 ! A.599 at 1.84e+06 assign (resid 41 and name HA ) (resid 65 and name HB2 ) 4.5 2.2 2.0 ! A.523 at 1.68e+06 assign (resid 41 and name HA ) (resid 65 and name HB1 ) 3.5 1.2 0.5 ! A.381 at 2.12e+07 assign (resid 41 and name HB2 ) (resid 65 and name HB2 ) 4.0 2.2 1.0 ! A.735 at 1.27e+07 ! K42 assign (resid 42 and name HA ) (resid 42 and name HE1 ) 4.5 2.2 2.0 ! A.436 at 4.39e+06 assign (resid 42 and name HG1 ) (resid 42 and name HE1 ) 3.5 1.2 0.5 ! A.432 at 4.34e+07 assign (resid 42 and name HB1 ) (resid 43 and name HA ) 4.5 2.2 2.0 ! A.664 at 5.49e+06 assign (resid 42 and name HB2 ) (resid 43 and name HA ) 4.5 2.2 2.0 ! A.716 at 4.05e+06 ! A43 assign (resid 43 and name HB# ) (resid 44 and name HA ) 4.0 2.2 1.5 ! A.765 at 1.17e+07 assign (resid 43 and name HB# ) (resid 45 and name HD1 ) 4.5 2.2 2.5 ! A.769 at 4.57e+06 ! T44 assign (resid 44 and name HA ) (resid 44 and name HG2# ) 3.5 1.2 1.0 ! A.847 at 1.51e+07 assign (resid 44 and name HA ) (resid 45 and name HB2 ) 4.5 2.2 2.0 ! A.691 at 6.18e+06 assign (resid 44 and name HG2# ) (resid 45 and name HD1 ) 4.0 2.2 1.5 ! A.848 at 9.99e+06 assign (resid 44 and name HG2# ) (resid 46 and name HD1 ) 3.5 1.2 1.0 ! A.234 at 2.69e+07 assign (resid 44 and name HB ) (resid 47 and name HG1 ) 4.5 2.2 2.0 ! A.787 at -2.30e+06 assign (resid 44 and name HG2# ) (resid 48 and name HA ) 4.5 2.2 2.5 ! A.52 at 1.53e+06 assign (resid 44 and name HB ) (resid 48 and name HB1 ) 4.5 2.2 2.0 ! A.83 at 2.66e+06 ! P45 assign (resid 45 and name HD1 ) (resid 45 and name HA ) 3.5 1.2 0.5 ! A.103 at 1.96e+07 assign (resid 45 and name HG1 ) (resid 45 and name HA ) 3.5 1.2 0.5 ! A.105 at 2.98e+07 assign (resid 45 and name HG1 ) (resid 46 and name HD1 ) 3.5 1.2 0.5 ! A.626 at 3.63e+07 assign (resid 45 and name HB2 ) (resid 46 and name HA ) 4.5 2.2 2.0 ! A.675 at 4.02e+06 ! P46 assign (resid 46 and name HB2 ) (resid 46 and name HD1 ) 3.5 1.2 0.5 ! A.232 at 1.95e+07 assign (resid 46 and name HA ) (resid 47 and name HG1 ) 4.5 2.2 2.0 ! A.785 at 2.07e+06 assign (resid 46 and name HD1 ) (resid 47 and name HG1 ) 4.5 2.2 2.0 ! A.233 at 6.46e+06 assign (resid 46 and name HB1 ) (resid 51 and name HE1 ) 4.0 2.2 1.0 ! A.434 at 1.38e+07 ! K47 assign (resid 47 and name HA ) (resid 47 and name HE1 ) 4.5 2.2 2.0 ! A.445 at 6.54e+06 assign (resid 47 and name HG1 ) (resid 47 and name HA ) 3.5 1.2 0.5 ! A.88 at 2.04e+07 assign (resid 47 and name HG1 ) (resid 50 and name HB1 ) 4.5 2.2 2.0 ! A.493 at 2.95e+06 assign (resid 47 and name HG1 ) (resid 50 and name HB2 ) 4.5 2.2 2.0 ! A.499 at 3.13e+06 !assign (resid 47 and name HB1 ) (resid 50 and name HA ) 4.5 2.2 2.0 ! A.36 at 5.28e+06 assign (resid 47 and name HB1 ) (resid 50 and name HB2 ) 3.5 1.2 0.5 ! A.478 at 2.22e+07 ! L48 assign (resid 48 and name HA ) (resid 48 and name HD1# ) 3.5 1.2 1.0 ! A.897 at 2.20e+07 assign (resid 48 and name HA ) (resid 48 and name HD2# ) 4.5 2.2 2.5 ! A.922 at 5.44e+06 assign (resid 48 and name HD1# ) (resid 48 and name HB1 ) 2.5 0.7 0.9 ! A.752 at 1.13e+08 assign (resid 48 and name HA ) (resid 51 and name HD2 ) 4.5 2.2 2.0 ! A.49 at 1.06e+06 assign (resid 48 and name HD2# ) (resid 53 and name HA ) 4.5 2.2 2.5 ! A.116 at 1.09e+06 assign (resid 48 and name HB1 ) (resid 53 and name HB1 ) 4.5 2.2 2.0 ! A.557 at 6.50e+06 assign (resid 48 and name HD2# ) (resid 53 and name HB1 ) 4.5 2.2 2.5 ! A.559 at 2.13e+06 assign (resid 48 and name HA ) (resid 53 and name HB1 ) 4.5 2.2 2.0 ! A.48 at 4.28e+06 assign (resid 48 and name HD2# ) (resid 58 and name HA ) 4.5 2.2 2.5 ! A.921 at 4.56e+06 assign (resid 48 and name HD1# ) (resid 58 and name HA ) 4.5 2.2 2.5 ! A.896 at 4.70e+06 assign (resid 48 and name HD2# ) (resid 58 and name HB1 ) 4.0 2.2 1.5 ! A.925 at 1.16e+07 assign (resid 48 and name HD1# ) (resid 61 and name HB1 ) 4.0 1.2 1.5 ! A.474 at 2.14e+07 assign (resid 48 and name HD2# ) (resid 61 and name HB2 ) 3.5 1.2 1.0 ! A.482 at 2.26e+07 ! E49 ! D50 assign (resid 50 and name HA ) (resid 51 and name HB2 ) 4.5 2.2 2.0 ! A.35 at 8.38e+06 !assign (resid 50 and name HA ) (resid 51 and name HB1 ) 4.0 2.2 1.0 ! A.649 at 1.35e+07 ! K51 assign (resid 51 and name HA ) (resid 51 and name HD1 ) 4.5 1.2 1.0 ! A.742 at 2.14e+07 assign (resid 51 and name HB1 ) (resid 51 and name HE1 ) 3.5 1.2 0.5 ! A.427 at 3.83e+07 assign (resid 51 and name HG1 ) (resid 52 and name HB1 ) 4.5 2.2 2.0 ! A.819 at 1.16e+06 assign (resid 51 and name HD1 ) (resid 52 and name HB1 ) 4.5 2.2 2.0 ! A.741 at 3.86e+06 !assign (resid 51 and name HB1 ) (resid 52 and name HA ) 4.0 2.2 1.0 ! A.26 at 1.20e+07 assign (resid 51 and name HB2 ) (resid 52 and name HA ) 4.5 2.2 2.0 ! A.672 at 5.62e+06 ! S52 assign (resid 52 and name HA ) (resid 53 and name HG1 ) 4.0 2.2 1.0 ! A.27 at 9.66e+06 ! P53 assign (resid 53 and name HD1 ) (resid 53 and name HB2 ) 3.5 1.2 0.5 ! A.598 at 2.66e+07 assign (resid 53 and name HG2 ) (resid 53 and name HA ) 4.0 2.2 1.0 ! A.115 at 1.24e+07 assign (resid 53 and name HA ) (resid 54 and name HA ) 4.5 2.2 2.0 ! A.22 at 2.36e+06 assign (resid 53 and name HG2 ) (resid 54 and name HA ) 3.5 1.2 0.5 ! A.673 at 2.71e+07 assign (resid 53 and name HG1 ) (resid 54 and name HA ) 4.5 2.2 2.0 ! A.625 at 1.44e+07 assign (resid 53 and name HB1 ) (resid 58 and name HG1 ) 4.5 2.2 2.0 ! A.558 at 7.09e+06 assign (resid 53 and name HA ) (resid 58 and name HG1 ) 4.5 2.2 2.0 ! A.113 at 4.31e+06 ! D54 assign (resid 54 and name HA ) (resid 55 and name HB1 ) 4.0 2.2 1.0 ! A.23 at 8.03e+06 assign (resid 54 and name HB1 ) (resid 55 and name HB2 ) 4.5 2.2 2.0 ! A.468 at 4.82e+06 assign (resid 54 and name HB1 ) (resid 56 and name HD1 ) 4.5 2.2 2.0 ! A.490 at 3.42e+06 ! S55 assign (resid 55 and name HA ) (resid 56 and name HD1 ) 3.5 1.2 0.5 ! A.205 at 4.21e+07 assign (resid 55 and name HA ) (resid 58 and name HG1 ) 4.0 2.2 1.0 ! A.56 at 1.06e+07 !assign (resid 55 and name HA ) (resid 58 and name HB1 ) 4.0 1.2 1.0 ! A.58 at 2.35e+07 C !assign (resid 55 and name HB2 ) (resid 59 and name HB2 ) 4.0 2.2 1.0 ! A.153 at 1.36e+07 ! P56 assign (resid 56 and name HB1 ) (resid 59 and name HB1 ) 2.5 0.7 0.4 ! A.550 at 1.53e+08 assign (resid 56 and name HA ) (resid 59 and name HD1 ) 4.5 2.2 2.0 ! A.700 at 3.10e+06 assign (resid 56 and name HB1 ) (resid 59 and name HD2 ) 4.0 2.2 1.0 ! A.520 at 1.35e+07 !assign (resid 56 and name HA ) (resid 60 and name HA ) 4.0 2.2 1.0 ! A.140 at 1.05e+07 assign (resid 56 and name HA ) (resid 60 and name HB1 ) 4.0 2.2 1.0 ! A.141 at 1.24e+07 assign (resid 56 and name HB1 ) (resid 60 and name HB1 ) 4.0 2.2 1.0 ! A.423 at 8.47e+06 assign (resid 56 and name HA ) (resid 60 and name HB2 ) 4.5 2.2 2.0 ! A.419 at 4.66e+06 ! E57 !assign (resid 57 and name HA ) (resid 60 and name HB2 ) 4.5 2.2 2.0 ! A.450 at 2.21e+06 !assign (resid 57 and name HG2 ) (resid 60 and name HB1 ) 4.5 2.2 2.0 ! A.533 at 5.21e+06 ! M58 assign (resid 58 and name HG# ) (resid 61 and name HB2 ) 4.0 2.2 1.5 ! A.481 at 1.45e+07 assign (resid 58 and name HG1 ) (resid 62 and name HD2 ) 4.5 2.2 2.0 ! A.387 at 4.79e+06 ! K59 assign (resid 59 and name HE1 ) (resid 59 and name HG1 ) 3.5 1.2 0.5 ! A.784 at 3.54e+07 assign (resid 59 and name HB1 ) (resid 60 and name HB1 ) 4.0 2.2 1.0 ! A.655 at 8.79e+06 assign (resid 59 and name HB1 ) (resid 60 and name HB2 ) 3.5 1.2 0.5 ! A.656 at 2.08e+07 assign (resid 59 and name HA ) (resid 61 and name HB1 ) 4.0 2.2 1.0 ! A.473 at 1.35e+07 assign (resid 59 and name HA ) (resid 62 and name HD2 ) 4.0 2.2 1.0 ! A.207 at 9.75e+06 assign (resid 59 and name HA ) (resid 62 and name HD1 ) 4.5 2.2 2.0 ! A.206 at 1.16e+06 assign (resid 59 and name HG1 ) (resid 62 and name HD2 ) 4.5 2.2 2.0 ! A.389 at 3.49e+06 assign (resid 59 and name HB1 ) (resid 62 and name HD2 ) 4.0 2.2 1.0 ! A.344 at 1.33e+07 assign (resid 59 and name HE1 ) (resid 63 and name HB2 ) 4.0 2.2 1.0 ! A.359 at 1.46e+07 assign (resid 59 and name HE1 ) (resid 63 and name HA ) 3.0 0.7 0.5 ! A.31 at 2.24e+08 assign (resid 59 and name HE1 ) (resid 63 and name HB1 ) 4.5 2.2 2.0 ! A.429 at 1.60e+06 assign (resid 59 and name HA ) (resid 63 and name HB2 ) 4.5 2.2 2.0 ! A.358 at 3.99e+06 ! D60 assign (resid 60 and name HA ) (resid 61 and name HA ) 4.5 2.2 2.0 ! A.42 at 4.08e+06 assign (resid 60 and name HA ) (resid 61 and name HB2 ) 4.5 2.2 2.0 ! A.32 at 6.04e+06 assign (resid 60 and name HB2 ) (resid 63 and name HB2 ) 4.5 2.2 2.0 ! A.452 at 2.84e+06 assign (resid 60 and name HB2 ) (resid 63 and name HB1 ) 4.0 2.2 1.0 ! A.306 at 8.07e+06 ! F61 ! R62 assign (resid 62 and name HA ) (resid 62 and name HD2 ) 4.5 2.2 2.0 ! A.386 at 4.48e+06 assign (resid 62 and name HB1 ) (resid 65 and name HB2 ) 4.0 2.2 1.0 ! A.661 at 1.10e+07 assign (resid 62 and name HA ) (resid 65 and name HB1 ) 4.5 2.2 2.0 ! A.469 at 2.02e+06 assign (resid 62 and name HA ) (resid 65 and name HB2 ) 4.5 2.2 2.0 ! A.511 at 3.48e+06 ! H63 assign (resid 63 and name HA ) (resid 64 and name HA1 ) 4.5 2.2 2.0 ! A.30 at 1.33e+06 assign (resid 63 and name HB2 ) (resid 64 and name HA2 ) 4.5 2.2 2.0 ! A.424 at 5.80e+06 assign (resid 63 and name HB1 ) (resid 64 and name HA2 ) 4.0 2.2 1.0 ! A.305 at 8.02e+06 assign (resid 63 and name HA ) (resid 66 and name HB1 ) 4.5 2.2 2.0 ! A.470 at 6.46e+06 assign (resid 63 and name HB1 ) (resid 66 and name HB2 ) 4.5 2.2 2.0 ! A.507 at 6.18e+05 assign (resid 63 and name HB2 ) (resid 66 and name HB2 ) 4.5 2.2 2.0 ! A.508 at 2.21e+06 assign (resid 63 and name HB2 ) (resid 66 and name HB1 ) 4.0 2.2 1.0 ! A.307 at 8.86e+06 assign (resid 63 and name HA ) (resid 67 and name HB ) 4.0 2.2 1.0 ! A.681 at 1.04e+07 assign (resid 63 and name HA ) (resid 67 and name HA ) 4.0 2.2 1.0 ! A.291 at 1.10e+07 ! G64 assign (resid 64 and name HA1 ) (resid 67 and name HB ) 4.5 2.2 2.0 ! A.682 at 6.09e+06 assign (resid 64 and name HA2 ) (resid 67 and name HG12 ) 4.5 2.2 2.0 ! A.834 at 3.57e+06 assign (resid 64 and name HA2 ) (resid 67 and name HB ) 4.5 2.2 2.0 ! A.411 at 7.71e+06 ! F65 assign (resid 65 and name HA ) (resid 68 and name HB1 ) 4.5 2.2 2.0 ! A.680 at 5.37e+06 assign (resid 65 and name HA ) (resid 69 and name HA ) 4.5 2.2 2.0 ! A.161 at 2.29e+06 assign (resid 65 and name HB2 ) (resid 69 and name HG2# ) 4.0 2.2 1.5 ! A.525 at 1.11e+07 assign (resid 65 and name HB1 ) (resid 69 and name HG2# ) 4.0 2.2 1.5 ! A.463 at 1.06e+07 ! D66 assign (resid 66 and name HB1 ) (resid 67 and name HA ) 4.5 2.2 2.0 ! A.293 at 7.71e+06 assign (resid 66 and name HB2 ) (resid 67 and name HA ) 4.5 2.2 2.0 ! A.294 at 6.91e+06 assign (resid 66 and name HA ) (resid 67 and name HA ) 4.5 2.2 2.0 ! A.292 at 2.09e+06 assign (resid 66 and name HB1 ) (resid 67 and name HG12 ) 4.5 2.2 2.0 ! A.472 at 4.80e+06 assign (resid 66 and name HA ) (resid 68 and name HB1 ) 4.5 2.2 2.0 ! A.80 at 1.87e+06 ! I67 assign (resid 67 and name HA ) (resid 67 and name HG2# ) 4.0 2.2 1.5 ! A.912 at 1.02e+07 assign (resid 67 and name HA ) (resid 67 and name HG12 ) 4.5 2.2 2.0 ! A.833 at 2.08e+06 assign (resid 67 and name HA ) (resid 68 and name HB1 ) 4.5 2.2 2.0 ! A.718 at 1.34e+06 assign (resid 67 and name HA ) (resid 69 and name HB ) 4.5 2.2 2.0 ! A.594 at 1.85e+06 ! L68 assign (resid 68 and name HD1# ) (resid 68 and name HA ) 2.5 0.7 0.9 ! A.154 at 4.81e+07 assign (resid 68 and name HB1 ) (resid 69 and name HA ) 4.5 2.2 2.0 ! A.355 at 2.01e+06 assign (resid 68 and name HB1 ) (resid 69 and name HB ) 4.0 2.2 1.0 ! A.719 at 9.30e+06 assign (resid 68 and name HD1# ) (resid 71 and name HG1 ) 2.5 0.7 0.9 ! A.531 at 4.60e+07 assign (resid 68 and name HD1# ) (resid 72 and name HB ) 2.5 0.7 0.9 ! A.614 at 7.47e+07 ! V69 assign (resid 69 and name HB ) (resid 70 and name HA1 ) 4.5 2.2 2.0 ! A.595 at 3.78e+06 assign (resid 69 and name HA ) (resid 72 and name HB ) 3.5 1.2 0.5 ! A.326 at 2.35e+07 assign (resid 69 and name HA ) (resid 73 and name HB2 ) 4.5 2.2 2.0 ! A.453 at 3.27e+06 assign (resid 69 and name HB ) (resid 73 and name HB2 ) 4.0 2.2 1.0 ! A.455 at 1.10e+07 ! G70 assign (resid 70 and name HA2 ) (resid 71 and name HA ) 4.5 2.2 2.0 ! A.143 at 1.21e+06 assign (resid 70 and name HA1 ) (resid 71 and name HG1 ) 4.5 2.2 2.0 ! A.540 at 1.20e+07 assign (resid 70 and name HA1 ) (resid 73 and name HB2 ) 4.0 2.2 1.0 ! A.426 at 1.50e+07 assign (resid 70 and name HA2 ) (resid 73 and name HB2 ) 3.5 1.2 0.5 ! A.249 at 3.04e+07 assign (resid 70 and name HA2 ) (resid 73 and name HB1 ) 4.0 2.2 1.0 ! A.267 at 9.08e+06 ! Q71 assign (resid 71 and name HG1 ) (resid 72 and name HA ) 4.5 2.2 2.0 ! A.313 at 7.40e+06 assign (resid 71 and name HA ) (resid 72 and name HB ) 4.5 2.2 2.0 ! A.144 at 1.59e+06 assign (resid 71 and name HG2 ) (resid 72 and name HA ) 4.5 2.2 2.0 ! A.314 at 5.52e+06 assign (resid 71 and name HA ) (resid 75 and name HB# ) 4.5 2.2 2.5 ! A.775 at 4.91e+06 assign (resid 71 and name HG1 ) (resid 94 and name HD1# ) 3.5 1.2 1.0 ! A.874 at 2.60e+07 ! I72 assign (resid 72 and name HG2# ) (resid 73 and name HA ) 4.5 2.2 2.5 ! A.915 at 6.34e+06 assign (resid 72 and name HG2# ) (resid 73 and name HB2 ) 4.5 2.2 2.5 ! A.456 at 1.14e+06 assign (resid 72 and name HA ) (resid 94 and name HD2# ) 4.0 2.2 1.5 ! A.316 at 1.20e+07 assign (resid 72 and name HA ) (resid 94 and name HD1# ) 3.5 1.2 1.0 ! A.315 at 1.51e+07 ! D73 assign (resid 73 and name HA ) (resid 76 and name HG ) 4.5 2.2 2.0 ! A.748 at 7.81e+06 assign (resid 73 and name HA ) (resid 76 and name HB1 ) 3.5 1.2 0.5 ! A.38 at 1.71e+07 assign (resid 73 and name HA ) (resid 76 and name HD1# ) 3.5 1.2 1.0 ! A.41 at 3.11e+07 ! D74 assign (resid 74 and name HA ) (resid 77 and name HD1 ) 4.0 2.2 1.0 ! A.688 at 8.48e+06 assign (resid 74 and name HA ) (resid 77 and name HB1 ) 3.5 1.2 0.5 ! A.639 at 1.68e+07 ! A75 assign (resid 75 and name HA ) (resid 77 and name HB1 ) 3.5 1.2 0.5 ! A.653 at 2.84e+07 assign (resid 75 and name HB# ) (resid 78 and name HB2 ) 3.5 1.2 1.0 ! A.689 at 2.14e+07 assign (resid 75 and name HA ) (resid 78 and name HD2# ) 3.5 1.2 1.0 ! A.891 at 4.33e+07 ! L76 assign (resid 76 and name HD1# ) (resid 76 and name HA ) 2.5 0.7 0.9 ! A.258 at 7.32e+07 assign (resid 76 and name HG ) (resid 77 and name HA ) 4.5 2.2 2.0 ! A.197 at 6.52e+06 ! K77 assign (resid 77 and name HA ) (resid 77 and name HG1 ) 3.5 1.2 0.5 ! A.814 at 2.26e+07 assign (resid 77 and name HE1 ) (resid 77 and name HA ) 3.5 1.2 0.5 ! A.196 at 3.14e+07 assign (resid 77 and name HD1 ) (resid 77 and name HB1 ) 3.5 1.2 0.5 ! A.654 at 2.06e+07 assign (resid 77 and name HD1 ) (resid 77 and name HA ) 3.5 1.2 0.5 ! A.195 at 3.55e+07 assign (resid 77 and name HB1 ) (resid 78 and name HD1# ) 2.5 0.7 0.9 ! A.910 at 6.95e+07 assign (resid 77 and name HG1 ) (resid 78 and name HA ) 3.5 1.2 0.5 ! A.805 at 1.62e+07 assign (resid 77 and name HE1 ) (resid 80 and name HB1 ) 2.5 0.7 0.4 ! A.431 at 6.23e+08 assign (resid 77 and name HG1 ) (resid 80 and name HB1 ) 4.5 2.2 2.0 ! A.815 at 6.03e+06 assign (resid 77 and name HG1 ) (resid 80 and name HB2 ) 4.5 2.2 2.0 ! A.479 at 5.27e+06 assign (resid 77 and name HD1 ) (resid 81 and name HG1 ) 4.5 2.2 2.0 ! A.738 at 4.79e+06 assign (resid 77 and name HG1 ) (resid 81 and name HG2 ) 4.0 2.2 1.0 ! A.816 at 1.15e+07 assign (resid 77 and name HG1 ) (resid 81 and name HA ) 4.0 2.2 1.0 ! A.92 at 1.46e+07 assign (resid 77 and name HE1 ) (resid 81 and name HG2 ) 3.5 1.2 0.5 ! A.430 at 1.84e+07 ! L78 assign (resid 78 and name HG ) (resid 78 and name HA ) 3.5 1.2 0.5 ! A.186 at 2.88e+07 assign (resid 78 and name HB1 ) (resid 79 and name HA ) 4.5 2.2 2.0 ! A.287 at 2.08e+06 assign (resid 78 and name HD1# ) (resid 81 and name HG1 ) 3.5 1.2 1.0 ! A.521 at 2.05e+07 assign (resid 78 and name HG ) (resid 83 and name HA ) 4.5 2.2 2.0 ! A.72 at 5.43e+05 assign (resid 78 and name HG ) (resid 83 and name HG2 ) 2.5 0.7 0.4 ! A.829 at 1.31e+08 assign (resid 78 and name HD2# ) (resid 83 and name HG1 ) 4.5 2.2 2.5 ! A.917 at 1.95e+06 assign (resid 78 and name HB1 ) (resid 84 and name HA ) 4.0 2.2 1.0 ! A.372 at 1.08e+07 assign (resid 78 and name HB1 ) (resid 86 and name HB2 ) 2.5 0.7 0.4 ! A.616 at 1.14e+08 assign (resid 78 and name HB1 ) (resid 87 and name HB# ) 2.5 0.7 0.9 ! A.811 at 7.48e+07 assign (resid 78 and name HB1 ) (resid 87 and name HA ) 3.5 1.2 0.5 ! A.182 at 3.00e+07 assign (resid 78 and name HB2 ) (resid 87 and name HB# ) 3.5 1.2 1.0 ! A.671 at 3.58e+07 ! A79 assign (resid 79 and name HB# ) (resid 80 and name HB2 ) 4.5 2.2 2.5 ! A.795 at 7.97e+06 assign (resid 79 and name HB# ) (resid 80 and name HB1 ) 4.5 2.2 2.5 ! A.444 at 4.09e+06 assign (resid 79 and name HA ) (resid 83 and name HB1 ) 4.5 2.2 2.0 ! A.647 at 2.85e+06 assign (resid 79 and name HA ) (resid 84 and name HG2# ) 4.5 2.2 2.5 ! A.289 at 7.38e+06 assign (resid 79 and name HA ) (resid 84 and name HA ) 4.5 2.2 2.0 ! A.276 at 3.00e+06 assign (resid 79 and name HB# ) (resid 84 and name HA ) 4.5 2.2 2.5 ! A.379 at 2.33e+06 ! N80 ! E81 assign (resid 81 and name HG2 ) (resid 81 and name HA ) 3.5 1.2 0.5 ! A.91 at 3.25e+07 assign (resid 81 and name HA ) (resid 81 and name HG1 ) 4.0 2.2 1.0 ! A.518 at 8.12e+06 assign (resid 81 and name HB1 ) (resid 82 and name HA2 ) 4.5 2.2 2.0 ! A.310 at 4.29e+06 ! G82 assign (resid 82 and name HA1 ) (resid 83 and name HG1 ) 4.5 2.2 2.0 ! A.791 at 7.72e+06 assign (resid 82 and name HA2 ) (resid 83 and name HB2 ) 4.5 2.2 2.0 ! A.717 at 1.38e+06 assign (resid 82 and name HA2 ) (resid 83 and name HG2 ) 4.5 2.2 2.0 ! A.311 at 4.22e+05 ! K83 assign (resid 83 and name HA ) (resid 83 and name HG2 ) 3.5 1.2 0.5 ! A.828 at 2.15e+07 assign (resid 83 and name HG1 ) (resid 83 and name HA ) 3.5 1.2 0.5 ! A.74 at 2.06e+07 assign (resid 83 and name HA ) (resid 86 and name HB2 ) 3.5 1.2 0.5 ! A.615 at 3.06e+07 ! V84 assign (resid 84 and name HG2# ) (resid 84 and name HA ) 4.0 2.2 1.5 ! A.377 at 1.46e+07 assign (resid 84 and name HA ) (resid 84 and name HG1# ) 4.0 2.2 1.5 ! A.906 at 8.35e+06 assign (resid 84 and name HA ) (resid 85 and name HB2 ) 4.5 2.2 2.0 ! A.375 at 2.87e+06 assign (resid 84 and name HG1# ) (resid 85 and name HA ) 4.0 2.2 1.5 ! A.89 at 1.29e+07 assign (resid 84 and name HA ) (resid 85 and name HA ) 4.0 2.2 1.0 ! A.350 at 1.20e+07 !assign (resid 84 and name HA ) (resid 86 and name HB2 ) 3.5 1.2 0.5 ! A.376 at 1.99e+07 assign (resid 84 and name HA ) (resid 87 and name HB# ) 4.5 2.2 2.5 ! A.799 at 7.28e+06 assign (resid 84 and name HG1# ) (resid 88 and name HG1 ) 4.0 2.2 1.5 ! A.542 at 1.42e+07 assign (resid 84 and name HB ) (resid 88 and name HB1 ) 4.0 2.2 1.0 ! A.565 at 1.08e+07 ! K85 assign (resid 85 and name HE1 ) (resid 85 and name HG1 ) 4.0 2.2 1.0 ! A.788 at 1.21e+07 assign (resid 85 and name HA ) (resid 85 and name HG1 ) 4.5 2.2 2.0 ! A.737 at 5.81e+06 assign (resid 85 and name HB2 ) (resid 86 and name HG1 ) 4.0 2.2 1.0 ! A.692 at 9.99e+06 assign (resid 85 and name HA ) (resid 88 and name HG1 ) 4.0 1.2 1.0 ! A.86 at 2.65e+07 C assign (resid 85 and name HA ) (resid 88 and name HB1 ) 3.5 1.2 0.5 ! A.73 at 2.57e+07 assign (resid 85 and name HG1 ) (resid 88 and name HB1 ) 4.0 2.2 1.0 ! A.563 at 1.05e+07 ! E86 assign (resid 86 and name HA ) (resid 86 and name HG1 ) 4.0 2.2 1.0 ! A.543 at 1.43e+07 assign (resid 86 and name HG2 ) (resid 86 and name HA ) 3.5 1.2 0.5 ! A.203 at 2.20e+07 assign (resid 86 and name HB1 ) (resid 87 and name HB# ) 4.0 2.2 1.5 ! A.760 at 1.31e+07 assign (resid 86 and name HB2 ) (resid 87 and name HB# ) 3.5 1.2 1.0 ! A.611 at 3.90e+07 ! A87 ! Q88 assign (resid 88 and name HG1 ) (resid 88 and name HA ) 3.5 1.2 0.5 ! A.271 at 1.71e+07 assign (resid 88 and name HB1 ) (resid 89 and name HA ) 4.5 2.2 2.0 ! A.610 at 3.04e+06 assign (resid 88 and name HB2 ) (resid 91 and name HB# ) 4.0 2.2 1.5 ! A.761 at 1.20e+07 ! A89 ! A90 assign (resid 90 and name HA ) (resid 93 and name HG1 ) 3.5 1.2 0.5 ! A.546 at 2.85e+07 assign (resid 90 and name HA ) (resid 93 and name HB1 ) 3.5 1.2 0.5 ! A.583 at 2.39e+07 ! A91 assign (resid 91 and name HB# ) (resid 92 and name HA ) 3.5 1.2 1.0 ! A.758 at 1.99e+07 assign (resid 91 and name HA ) (resid 93 and name HB1 ) 4.0 1.2 1.0 ! A.200 at 3.50e+07 C assign (resid 91 and name HA ) (resid 94 and name HD2# ) 3.5 1.2 1.0 ! A.873 at 3.49e+07 ! E92 assign (resid 92 and name HA ) (resid 95 and name HB1 ) 4.0 2.2 1.0 ! A.159 at 1.07e+07 assign (resid 92 and name HG1 ) (resid 95 and name HD1 ) 3.5 1.2 0.5 ! A.658 at 1.62e+07 assign (resid 92 and name HA ) (resid 95 and name HD1 ) 3.5 1.2 0.5 ! A.142 at 3.57e+07 !assign (resid 92 and name HB1 ) (resid 96 and name HA ) 4.5 2.2 2.0 ! A.600 at 2.10e+06 !assign (resid 92 and name HB1 ) (resid 96 and name HG2# ) 4.5 2.2 2.5 ! A.832 at 3.26e+06 ! Q93 assign (resid 93 and name HA ) (resid 94 and name HD1# ) 4.0 2.2 1.5 ! A.129 at 1.17e+07 assign (resid 93 and name HG1 ) (resid 94 and name HD1# ) 4.0 2.2 1.5 ! A.875 at 1.81e+07 C !assign (resid 93 and name HB1 ) (resid 97 and name HB ) 4.5 2.2 2.0 ! A.588 at 1.43e+06 ! L94 assign (resid 94 and name HA ) (resid 94 and name HD1# ) 2.5 0.7 0.9 ! A.872 at 6.91e+07 assign (resid 94 and name HB2 ) (resid 97 and name HB ) 4.0 2.2 1.0 ! A.150 at 8.53e+06 ! K95 assign (resid 95 and name HE1 ) (resid 95 and name HA ) 2.5 0.7 0.4 ! A.268 at 4.92e+07 assign (resid 95 and name HA ) (resid 98 and name HB ) 4.0 2.2 1.0 ! A.695 at 1.33e+07 assign (resid 95 and name HA ) (resid 98 and name HG2# ) 4.5 2.2 2.5 ! A.270 at 3.99e+06 ! T96 assign (resid 96 and name HB ) (resid 97 and name HB ) 4.5 2.2 2.0 ! A.121 at 3.62e+06 assign (resid 96 and name HA ) (resid 98 and name HB ) 4.0 2.2 1.0 ! A.237 at 1.18e+07 assign (resid 96 and name HA ) (resid 99 and name HG1 ) 4.5 2.2 2.0 ! A.728 at 4.75e+06 assign (resid 96 and name HA ) (resid 99 and name HA ) 4.5 1.2 0.5 ! A.211 at 2.37e+07 assign (resid 96 and name HG2# ) (resid 99 and name HB1 ) 4.5 2.2 2.5 ! A.831 at 4.07e+06 assign (resid 96 and name HA ) (resid 99 and name HD2 ) 4.5 2.2 2.0 ! A.412 at 3.01e+06 ! T97 assign (resid 97 and name HA ) (resid 97 and name HG2# ) 4.5 2.2 2.5 ! A.868 at 5.80e+06 assign (resid 97 and name HB ) (resid 98 and name HB ) 4.5 2.2 2.0 ! A.151 at 2.59e+06 assign (resid 97 and name HG2# ) (resid 98 and name HB ) 3.5 1.2 1.0 ! A.870 at 3.92e+07 ! I98 assign (resid 98 and name HB ) (resid 99 and name HA ) 3.5 1.2 0.5 ! A.696 at 2.44e+07 assign (resid 98 and name HB ) (resid 99 and name HD2 ) 4.5 2.2 2.0 ! A.418 at 4.94e+06 assign (resid 98 and name HA ) (resid 101 and name HB2 ) 4.5 2.2 2.0 ! A.390 at 9.77e+05 !assign (resid 98 and name HG2# ) (resid 104 and name HG1 ) 4.5 2.2 2.5 ! A.945 at 2.50e+06 ! R99 assign (resid 99 and name HA ) (resid 99 and name HD1 ) 4.5 2.2 2.0 ! A.413 at 3.71e+06 assign (resid 99 and name HA ) (resid 99 and name HG1 ) 4.0 2.2 1.0 ! A.729 at 1.35e+07 assign (resid 99 and name HA ) (resid 99 and name HD2 ) 4.5 2.2 2.0 ! A.417 at 1.41e+06 assign (resid 99 and name HB1 ) (resid 99 and name HD1 ) 4.0 2.2 1.0 ! A.416 at 1.47e+07 assign (resid 99 and name HG1 ) (resid 102 and name HA ) 4.5 2.2 2.0 ! A.730 at 9.91e+05 assign (resid 99 and name HA ) (resid 102 and name HA ) 4.5 2.2 2.0 ! A.212 at 3.97e+06 !assign (resid 99 and name HD1 ) (resid 103 and name HG2 ) 4.5 2.2 2.0 ! A.571 at 4.28e+06 !assign (resid 99 and name HD2 ) (resid 103 and name HG2 ) 4.0 2.2 1.0 ! A.572 at 1.17e+07 !assign (resid 99 and name HA ) (resid 103 and name HG2 ) 4.0 2.2 1.0 ! A.214 at 1.38e+07 ! A100 assign (resid 100 and name HA ) (resid 101 and name HB2 ) 4.5 2.2 2.0 ! A.178 at 7.59e+06 assign (resid 100 and name HA ) (resid 101 and name HB1 ) 4.5 2.2 2.0 ! A.177 at 3.73e+06 assign (resid 100 and name HB# ) (resid 101 and name HB1 ) 4.5 2.2 2.5 ! A.780 at 6.83e+06 ! Y101 assign (resid 101 and name HB2 ) (resid 102 and name HA ) 4.5 2.2 2.0 ! A.392 at 1.33e+06 assign (resid 101 and name HB1 ) (resid 102 and name HB1 ) 4.5 2.2 2.0 ! A.363 at 4.18e+06 assign (resid 101 and name HB1 ) (resid 104 and name HG1 ) 4.5 2.2 2.0 ! A.941 at 1.63e+06 assign (resid 101 and name HB1 ) (resid 104 and name HD1 ) 4.5 2.2 2.0 ! A.368 at 2.83e+06 assign (resid 101 and name HB2 ) (resid 104 and name HB2 ) 4.5 2.2 2.0 ! A.396 at 7.76e+05 assign (resid 101 and name HB2 ) (resid 104 and name HB1 ) 4.5 2.2 2.0 ! A.395 at 1.96e+06 ! N102 assign (resid 102 and name HB2 ) (resid 105 and name HA ) 4.5 2.2 2.0 ! A.14 at 2.20e+06 ! Q103 !assign (resid 103 and name HB1 ) (resid 105 and name HA ) 4.5 2.2 1.0 ! A.627 at 9.25e+06 ! K104 assign (resid 104 and name HA ) (resid 104 and name HG1 ) 4.5 2.2 2.0 ! A.936 at 6.45e+06 assign (resid 104 and name HA ) (resid 104 and name HD1 ) 4.0 2.2 1.0 ! A.838 at 1.23e+07 assign (resid 104 and name HE1 ) (resid 104 and name HG1 ) 3.5 1.2 0.5 ! A.939 at 2.11e+07 assign (resid 104 and name HD2 ) (resid 104 and name HB1 ) 4.5 2.2 2.0 ! A.782 at 1.53e+06 assign (resid 104 and name HD1 ) (resid 104 and name HB1 ) 3.5 1.2 0.5 ! A.781 at 4.10e+07 assign (resid 104 and name HB2 ) (resid 104 and name HD1 ) 4.5 2.2 2.0 ! A.844 at 5.64e+06 assign (resid 104 and name HB2 ) (resid 104 and name HD2 ) 4.5 2.2 2.0 ! A.867 at 2.77e+06 !assign (resid 104 and name HD2 ) (resid 105 and name HA ) 4.5 2.2 2.0 ! A.865 at 4.27e+06 assign (resid 104 and name HG1 ) (resid 105 and name HB1 ) 4.5 2.2 2.0 ! A.940 at 3.49e+06 assign (resid 104 and name HB2 ) (resid 105 and name HB2 ) 4.5 2.2 2.0 ! A.407 at 1.71e+06 assign (resid 104 and name HD1 ) (resid 105 and name HB2 ) 4.5 2.2 2.0 ! A.405 at 3.32e+06 assign (resid 104 and name HD2 ) (resid 105 and name HB2 ) 4.5 2.2 2.0 ! A.406 at 1.27e+06 assign (resid 104 and name HA ) (resid 105 and name HB1 ) 4.5 2.2 2.0 ! A.333 at 7.09e+06 !assign (resid 104 and name HB1 ) (resid 106 and name HA2 ) 4.5 2.2 2.0 ! A.779 at 3.29e+06 !assign (resid 104 and name HG1 ) (resid 106 and name HA2 ) 4.5 2.2 2.0 ! A.938 at 3.69e+06 ! Y105 assign (resid 105 and name HB2 ) (resid 106 and name HA2 ) 4.5 2.2 2.0 ! A.223 at 3.94e+06 assign (resid 105 and name HB2 ) (resid 106 and name HA1 ) 4.5 2.2 2.0 ! A.402 at 1.35e+06 assign (resid 105 and name HA ) (resid 106 and name HA1 ) 4.5 2.2 2.0 ! A.11 at 6.08e+06 assign (resid 105 and name HA ) (resid 106 and name HA2 ) 4.5 2.2 2.0 ! A.12 at 5.53e+06 assign (resid 105 and name HB1 ) (resid 106 and name HA1 ) 4.5 2.2 2.0 ! A.222 at 2.33e+06 assign (resid 105 and name HB1 ) (resid 106 and name HA2 ) 4.5 2.2 2.0 ! A.361 at 4.17e+06 ! G106
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