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 |
|
|
614287 |
2h41   |
7127 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
! G1 ! P2 ! L3 ! G4 assign (resid 4 and name HN ) (resid 6 and name HD2 ) 4.0 2.2 1.0 ! A.1238 at 7.11e+06 ! S5 ! H6 ! L7 assign (resid 7 and name HB2 ) (resid 7 and name HN ) 4.0 2.2 2.0 ! A.1136 at 3.62e+06 assign (resid 7 and name HB2 ) (resid 8 and name HN ) 4.0 2.2 1.0 ! A.886 at 8.83e+06 assign (resid 7 and name HA ) (resid 8 and name HN ) 3.0 1.2 0.5 ! A.318 at 6.00e+07 assign (resid 7 and name HG ) (resid 8 and name HN ) 4.0 2.2 2.0 ! A.887 at 2.71e+06 ! V8 assign (resid 8 and name HB ) (resid 8 and name HN ) 4.0 2.2 1.0 ! A.888 at 1.92e+07 assign (resid 8 and name HG2# ) (resid 8 and name HN ) 4.0 2.2 1.5 ! A.885 at 1.96e+07 assign (resid 8 and name HA ) (resid 9 and name HN ) 4.0 2.2 1.0 ! A.190 at -1.78e+07 assign (resid 8 and name HG2# ) (resid 9 and name HN ) 4.0 2.2 2.5 ! A.462 at -3.63e+06 assign (resid 8 and name HB ) (resid 9 and name HN ) 4.0 2.2 2.0 ! A.1219 at -2.43e+06 ! A9 assign (resid 9 and name HB# ) (resid 9 and name HN ) 4.0 2.2 1.5 ! A.461 at -1.16e+07 assign (resid 9 and name HA ) (resid 10 and name HN ) 4.0 2.2 1.0 ! A.633 at 8.75e+06 ! T10 ! S11 ! E12 assign (resid 12 and name HB2 ) (resid 12 and name HN ) 4.0 2.2 2.0 ! A.1055 at 3.77e+06 assign (resid 12 and name HB1 ) (resid 15 and name HN ) 4.0 2.2 2.0 ! A.745 at 3.81e+06 ! S13 assign (resid 13 and name HB# ) (resid 13 and name HN ) 4.0 2.2 2.0 ! A.679 at 4.49e+06 assign (resid 13 and name HA ) (resid 14 and name HN ) 3.0 1.2 0.5 ! A.346 at 4.12e+07 assign (resid 13 and name HB# ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.345 at 7.75e+06 ! V14 assign (resid 14 and name HG2# ) (resid 14 and name HN ) 4.0 2.2 1.5 ! A.912 at 1.89e+07 assign (resid 14 and name HB ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.913 at 1.97e+07 assign (resid 14 and name HA ) (resid 15 and name HN ) 3.0 1.2 0.5 ! A.269 at 3.85e+07 assign (resid 14 and name HG1# ) (resid 15 and name HN ) 4.0 2.2 1.5 ! A.743 at 8.75e+06 assign (resid 14 and name HG1# ) (resid 93 and name HE21 ) 4.0 2.2 1.5 ! A.1424 at 9.66e+06 assign (resid 14 and name HG1# ) (resid 93 and name HE22 ) 4.0 2.2 1.5 ! A.1427 at 5.71e+06 ! T15 assign (resid 15 and name HG2# ) (resid 15 and name HN ) 4.0 2.2 1.5 ! A.744 at 7.09e+06 assign (resid 15 and name HB ) (resid 15 and name HN ) 4.0 2.2 1.0 ! A.270 at 9.13e+06 assign (resid 15 and name HG2# ) (resid 16 and name HN ) 4.0 2.2 1.5 ! A.1069 at 8.92e+06 assign (resid 15 and name HB ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.368 at 1.95e+07 ! E16 assign (resid 16 and name HG# ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.1066 at 7.69e+06 assign (resid 16 and name HB1 ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.1068 at 9.18e+06 assign (resid 16 and name HB2 ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.1067 at 1.61e+07 assign (resid 16 and name HN ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.1221 at 1.16e+07 assign (resid 16 and name HG# ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.1042 at 5.55e+06 assign (resid 16 and name HB1 ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.1041 at 1.24e+07 assign (resid 16 and name HB2 ) (resid 62 and name HD21 ) 4.0 2.2 1.0 ! A.1436 at 5.96e+06 assign (resid 16 and name HB2 ) (resid 62 and name HD22 ) 4.0 2.2 1.0 ! A.1437 at 7.04e+06 ! I17 assign (resid 17 and name HB ) (resid 17 and name HN ) 3.0 1.2 0.5 ! A.1040 at 6.66e+07 assign (resid 17 and name HG12 ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.1039 at 2.80e+07 assign (resid 17 and name HG11 ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.1038 at 2.57e+07 assign (resid 17 and name HD1# ) (resid 17 and name HN ) 4.0 2.2 1.5 ! A.1037 at 1.85e+07 assign (resid 17 and name HA ) (resid 18 and name HN ) 3.0 1.2 0.5 ! A.792 at 4.28e+07 assign (resid 17 and name HB ) (resid 18 and name HN ) 4.0 2.2 2.0 ! A.1222 at 3.83e+06 assign (resid 17 and name HG2# ) (resid 18 and name HN ) 4.0 2.2 1.5 ! A.794 at 7.85e+06 assign (resid 17 and name HG12 ) (resid 18 and name HN ) 4.0 2.2 2.0 ! A.1223 at 2.75e+06 assign (resid 17 and name HG2# ) (resid 19 and name HN ) 4.0 2.2 2.5 ! A.519 at 4.35e+06 assign (resid 17 and name HA ) (resid 20 and name HN ) 4.0 2.2 1.0 ! A.235 at 4.69e+06 ! T18 assign (resid 18 and name HG2# ) (resid 18 and name HN ) 4.0 2.2 1.5 ! A.795 at 2.28e+07 assign (resid 18 and name HG2# ) (resid 19 and name HN ) 4.0 2.2 1.5 ! A.520 at 8.94e+06 assign (resid 18 and name HB ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.398 at 2.21e+07 assign (resid 18 and name HA ) (resid 19 and name HN ) 3.0 1.2 0.5 ! A.397 at 5.36e+07 ! A19 assign (resid 19 and name HB# ) (resid 19 and name HN ) 3.0 1.2 1.0 ! A.521 at 5.23e+07 assign (resid 19 and name HN ) (resid 20 and name HN ) 4.0 2.2 1.0 ! A.1226 at 6.73e+06 assign (resid 19 and name HA ) (resid 20 and name HN ) 3.0 1.2 0.5 ! A.234 at 4.25e+07 assign (resid 19 and name HB# ) (resid 20 and name HN ) 4.0 2.2 1.5 ! A.672 at 1.65e+07 assign (resid 19 and name HB# ) (resid 65 and name HN ) 4.0 2.2 1.5 ! A.630 at 2.05e+07 assign (resid 19 and name HB# ) (resid 66 and name HN ) 4.0 2.2 1.5 ! A.1505 at 1.79e+07 ! S20 assign (resid 20 and name HB1 ) (resid 20 and name HN ) 4.0 2.2 1.0 ! A.233 at 1.43e+07 assign (resid 20 and name HN ) (resid 21 and name HN ) 4.0 2.2 1.0 ! A.673 at 7.67e+06 assign (resid 20 and name HA ) (resid 21 and name HN ) 3.0 1.2 0.5 ! A.1230 at 6.36e+07 assign (resid 20 and name HN ) (resid 95 and name HG2# ) 4.0 2.2 2.5 ! A.671 at 4.25e+06 ! S21 assign (resid 21 and name HB1 ) (resid 21 and name HN ) 3.0 1.2 0.5 ! A.231 at 3.49e+07 assign (resid 21 and name HB2 ) (resid 22 and name HN ) 3.0 1.2 0.5 ! A.265 at 3.91e+07 assign (resid 21 and name HN ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.669 at 7.66e+06 assign (resid 21 and name HB2 ) (resid 62 and name HD22 ) 4.0 2.2 1.0 ! A.175 at 1.19e+07 assign (resid 21 and name HB2 ) (resid 62 and name HD21 ) 4.0 2.2 1.0 ! A.174 at 7.12e+06 assign (resid 21 and name HB2 ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.172 at -7.13e+06 assign (resid 21 and name HA ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.1499 at 6.85e+06 assign (resid 21 and name HB1 ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.212 at 1.86e+07 assign (resid 21 and name HA ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.1506 at 9.46e+06 assign (resid 21 and name HN ) (resid 66 and name HB2 ) 4.0 2.2 1.0 ! A.670 at 7.24e+06 assign (resid 21 and name HN ) (resid 66 and name HD1# ) 4.0 2.2 2.5 ! A.1229 at 3.98e+06 assign (resid 21 and name HB1 ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.262 at 1.69e+07 ! F22 assign (resid 22 and name HD# ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.1231 at 1.05e+07 assign (resid 22 and name HB1 ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.267 at 1.61e+07 assign (resid 22 and name HB2 ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.266 at 1.67e+07 assign (resid 22 and name HN ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.1043 at 8.78e+06 assign (resid 22 and name HB2 ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.1048 at 2.90e+07 assign (resid 22 and name HB1 ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.1049 at 5.52e+07 assign (resid 22 and name HD# ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.1235 at 1.67e+07 assign (resid 22 and name HA ) (resid 23 and name HN ) 2.5 0.7 0.4 ! A.40 at 1.61e+08 assign (resid 22 and name HN ) (resid 23 and name HG2# ) 4.0 2.2 1.5 ! A.763 at 4.81e+06 assign (resid 22 and name HN ) (resid 62 and name HA ) 4.0 2.2 1.0 ! A.760 at 6.19e+06 assign (resid 22 and name HN ) (resid 63 and name HB ) 4.0 2.2 1.0 ! A.761 at 1.83e+07 assign (resid 22 and name HN ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.47 at 2.47e+07 assign (resid 22 and name HN ) (resid 63 and name HG2# ) 4.0 2.2 2.5 ! A.768 at 2.80e+06 assign (resid 22 and name HB2 ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.469 at -6.30e+06 assign (resid 22 and name HB1 ) (resid 63 and name HN ) 4.0 2.2 2.0 ! A.470 at -4.10e+06 assign (resid 22 and name HD# ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.1494 at -9.25e+06 assign (resid 22 and name HA ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.173 at -1.23e+07 assign (resid 22 and name HN ) (resid 66 and name HG ) 4.0 2.2 2.0 ! A.762 at 3.71e+06 assign (resid 22 and name HN ) (resid 66 and name HD1# ) 4.0 2.2 1.5 ! A.1208 at 1.27e+07 assign (resid 22 and name HE# ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.1530 at 5.06e+06 assign (resid 22 and name HE# ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.1632 at 4.82e+06 assign (resid 22 and name HE# ) (resid 95 and name HN ) 4.0 2.2 2.0 ! A.1579 at 3.11e+06 ! V23 assign (resid 23 and name HG2# ) (resid 23 and name HN ) 3.0 1.2 1.0 ! A.1052 at 5.22e+07 assign (resid 23 and name HG1# ) (resid 23 and name HN ) 4.0 2.2 1.5 ! A.1051 at 2.03e+07 assign (resid 23 and name HB ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.1050 at 9.17e+07 assign (resid 23 and name HB ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.511 at 1.44e+07 assign (resid 23 and name HA ) (resid 24 and name HN ) 2.5 0.7 0.4 ! A.41 at 2.39e+08 assign (resid 23 and name HG1# ) (resid 24 and name HN ) 3.0 1.2 1.0 ! A.505 at 5.87e+07 assign (resid 23 and name HG2# ) (resid 24 and name HN ) 4.0 2.2 1.5 ! A.508 at 2.69e+07 assign (resid 23 and name HN ) (resid 24 and name HG2# ) 4.0 2.2 1.5 ! A.1053 at 6.63e+06 assign (resid 23 and name HN ) (resid 24 and name HB ) 4.0 2.2 2.0 ! A.1233 at 4.25e+06 assign (resid 23 and name HG1# ) (resid 25 and name HN ) 4.0 2.2 1.5 ! A.814 at 7.27e+06 assign (resid 23 and name HG1# ) (resid 61 and name HN ) 3.0 1.2 1.0 ! A.702 at 3.70e+07 assign (resid 23 and name HA ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.1484 at 1.68e+07 assign (resid 23 and name HG2# ) (resid 62 and name HN ) 4.0 2.2 1.5 ! A.529 at 7.77e+06 assign (resid 23 and name HG1# ) (resid 62 and name HN ) 4.0 2.2 2.5 ! A.530 at 3.66e+06 assign (resid 23 and name HN ) (resid 62 and name HA ) 4.0 2.2 2.0 ! A.1047 at 4.56e+06 assign (resid 23 and name HG2# ) (resid 62 and name HD22 ) 4.0 2.2 1.5 ! A.1434 at 1.17e+07 assign (resid 23 and name HG2# ) (resid 62 and name HD21 ) 4.0 2.2 1.5 ! A.1433 at 1.12e+07 assign (resid 23 and name HN ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.1044 at 5.55e+06 assign (resid 23 and name HG2# ) (resid 63 and name HN ) 4.0 2.2 1.5 ! A.473 at -1.39e+07 assign (resid 23 and name HA ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.57 at -2.59e+07 ! V24 assign (resid 24 and name HB ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.512 at 4.59e+07 assign (resid 24 and name HG2# ) (resid 24 and name HN ) 3.0 1.2 1.0 ! A.509 at 5.52e+07 assign (resid 24 and name HB ) (resid 25 and name HN ) 4.0 2.2 1.0 ! A.816 at 1.54e+07 assign (resid 24 and name HA ) (resid 25 and name HN ) 2.5 0.7 0.4 ! A.1243 at 2.29e+08 assign (resid 24 and name HG1# ) (resid 25 and name HN ) 3.0 1.2 1.0 ! A.815 at 5.92e+07 assign (resid 24 and name HN ) (resid 26 and name HZ3 ) 4.0 2.2 2.0 ! A.518 at 4.55e+06 assign (resid 24 and name HN ) (resid 60 and name HB2 ) 4.0 2.2 2.0 ! A.1237 at 4.34e+06 assign (resid 24 and name HN ) (resid 61 and name HB ) 4.0 2.2 2.0 ! A.513 at 2.71e+06 assign (resid 24 and name HN ) (resid 61 and name HN ) 3.0 1.2 0.5 ! A.49 at 5.13e+07 assign (resid 24 and name HB ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.700 at 1.23e+07 assign (resid 24 and name HN ) (resid 62 and name HA ) 4.0 2.2 1.0 ! A.58 at 2.83e+07 assign (resid 24 and name HN ) (resid 63 and name HG12 ) 4.0 2.2 1.0 ! A.510 at 4.75e+06 assign (resid 24 and name HN ) (resid 63 and name HD1# ) 4.0 2.2 2.5 ! A.506 at 4.24e+06 assign (resid 24 and name HN ) (resid 63 and name HG11 ) 4.0 2.2 2.0 ! A.507 at 3.99e+06 assign (resid 24 and name HN ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.1495 at -1.05e+07 ! S25 assign (resid 25 and name HB# ) (resid 25 and name HN ) 3.0 1.2 0.5 ! A.285 at 4.98e+07 assign (resid 25 and name HN ) (resid 26 and name HE3 ) 4.0 2.2 1.0 ! A.1241 at 1.17e+07 assign (resid 25 and name HN ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.809 at 1.42e+07 assign (resid 25 and name HN ) (resid 26 and name HZ3 ) 4.0 2.2 2.0 ! A.1242 at 3.73e+06 assign (resid 25 and name HB# ) (resid 26 and name HN ) 3.0 1.2 0.5 ! A.1251 at 9.62e+07 assign (resid 25 and name HA ) (resid 26 and name HN ) 2.5 0.7 0.4 ! A.43 at 2.22e+08 assign (resid 25 and name HN ) (resid 60 and name HA ) 4.0 2.2 1.0 ! A.1245 at 6.13e+07 assign (resid 25 and name HN ) (resid 60 and name HB2 ) 4.0 2.2 2.0 ! A.813 at 3.45e+06 assign (resid 25 and name HA ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.558 at 8.50e+06 assign (resid 25 and name HA ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.59 at 2.67e+07 ! W26 assign (resid 26 and name HB2 ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.855 at 1.43e+07 assign (resid 26 and name HE3 ) (resid 26 and name HN ) 3.0 1.2 0.5 ! A.1247 at 3.55e+07 assign (resid 26 and name HB1 ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.856 at 2.15e+07 assign (resid 26 and name HD1 ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.1248 at 8.56e+06 assign (resid 26 and name HN ) (resid 27 and name HN ) 4.0 2.2 1.0 ! A.1259 at 8.86e+06 assign (resid 26 and name HA ) (resid 27 and name HN ) 2.5 0.7 0.4 ! A.44 at 1.58e+08 assign (resid 26 and name HB2 ) (resid 27 and name HN ) 3.0 1.2 0.5 ! A.684 at 1.04e+08 assign (resid 26 and name HB1 ) (resid 27 and name HN ) 3.0 1.2 0.5 ! A.685 at 5.73e+07 assign (resid 26 and name HD1 ) (resid 27 and name HN ) 4.0 2.2 1.0 ! A.686 at 1.67e+07 assign (resid 26 and name HE3 ) (resid 27 and name HN ) 4.0 2.2 2.0 ! A.687 at 5.77e+06 assign (resid 26 and name HE1 ) (resid 28 and name HB# ) 4.0 2.2 1.0 ! A.456 at 1.17e+07 assign (resid 26 and name HE1 ) (resid 28 and name HN ) 4.0 2.2 2.0 ! A.458 at 2.66e+06 assign (resid 26 and name HD1 ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.783 at 1.28e+07 assign (resid 26 and name HN ) (resid 28 and name HN ) 4.0 2.2 2.0 ! A.786 at 3.08e+06 assign (resid 26 and name HE1 ) (resid 36 and name HE# ) 3.0 1.2 0.5 ! A.1194 at 1.03e+08 assign (resid 26 and name HE1 ) (resid 36 and name HD# ) 4.0 2.2 1.0 ! A.1458 at 3.06e+07 assign (resid 26 and name HE1 ) (resid 36 and name HB2 ) 4.0 2.2 1.0 ! A.452 at 4.86e+06 assign (resid 26 and name HE1 ) (resid 36 and name HB1 ) 4.0 2.2 2.0 ! A.453 at 4.56e+06 assign (resid 26 and name HE1 ) (resid 58 and name HB# ) 4.0 2.2 1.5 ! A.450 at 1.49e+07 assign (resid 26 and name HZ2 ) (resid 58 and name HN ) 4.0 2.2 2.0 ! A.1472 at 4.47e+06 assign (resid 26 and name HE1 ) (resid 58 and name HN ) 4.0 2.2 2.0 ! A.1473 at 3.21e+06 assign (resid 26 and name HE1 ) (resid 59 and name HN ) 4.0 2.2 2.0 ! A.1193 at 3.93e+06 assign (resid 26 and name HE1 ) (resid 59 and name HB ) 4.0 2.2 1.0 ! A.457 at 8.16e+06 assign (resid 26 and name HE1 ) (resid 59 and name HG2# ) 4.0 2.2 1.5 ! A.448 at 3.02e+07 assign (resid 26 and name HE1 ) (resid 59 and name HA ) 3.0 1.2 0.5 ! A.416 at 8.80e+07 assign (resid 26 and name HZ2 ) (resid 59 and name HN ) 4.0 2.2 2.0 ! A.1477 at -4.29e+06 assign (resid 26 and name HN ) (resid 59 and name HG2# ) 4.0 2.2 1.5 ! A.852 at 2.05e+07 assign (resid 26 and name HN ) (resid 59 and name HB ) 4.0 2.2 1.0 ! A.279 at 2.20e+07 assign (resid 26 and name HN ) (resid 60 and name HB1 ) 4.0 2.2 1.0 ! A.1253 at 1.42e+07 assign (resid 26 and name HN ) (resid 60 and name HA ) 3.0 1.2 0.5 ! A.60 at 3.77e+07 assign (resid 26 and name HN ) (resid 60 and name HB2 ) 4.0 2.2 1.0 ! A.1250 at 7.63e+06 assign (resid 26 and name HN ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.1482 at 5.26e+06 assign (resid 26 and name HH2 ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.1483 at 1.53e+07 assign (resid 26 and name HZ2 ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.562 at 1.71e+07 assign (resid 26 and name HH2 ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.1486 at 1.31e+07 assign (resid 26 and name HZ3 ) (resid 61 and name HN ) 3.0 1.2 0.5 ! A.711 at 3.52e+07 assign (resid 26 and name HE1 ) (resid 76 and name HG1# ) 4.0 2.2 1.5 ! A.6 at 9.30e+06 assign (resid 26 and name HE1 ) (resid 78 and name HA ) 4.0 2.2 2.0 ! A.455 at 3.85e+06 assign (resid 26 and name HE1 ) (resid 78 and name HB2 ) 4.0 2.2 2.0 ! A.451 at 4.09e+06 assign (resid 26 and name HE1 ) (resid 88 and name HD1# ) 4.0 2.2 1.5 ! A.447 at 1.87e+07 assign (resid 26 and name HN ) (resid 88 and name HD1# ) 4.0 2.2 2.5 ! A.854 at 3.72e+06 ! V27 assign (resid 27 and name HB ) (resid 27 and name HN ) 3.0 1.2 0.5 ! A.683 at 7.43e+07 assign (resid 27 and name HG* ) (resid 27 and name HN ) 3.0 1.2 1.0 ! A.680 at 7.69e+07 assign (resid 27 and name HB ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.781 at 2.97e+07 assign (resid 27 and name HN ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.785 at 1.24e+07 assign (resid 27 and name HA ) (resid 28 and name HN ) 2.5 0.7 0.4 ! A.45 at 2.63e+08 assign (resid 27 and name HN ) (resid 36 and name HE# ) 4.0 2.2 2.0 ! A.1260 at 4.17e+06 assign (resid 27 and name HN ) (resid 88 and name HD1# ) 4.0 2.2 1.5 ! A.681 at 1.24e+07 assign (resid 27 and name HN ) (resid 88 and name HG11 ) 4.0 2.2 2.0 ! A.1256 at 6.82e+06 ! S28 assign (resid 28 and name HB# ) (resid 28 and name HN ) 3.0 1.2 0.5 ! A.295 at 9.38e+07 assign (resid 28 and name HB# ) (resid 29 and name HN ) 4.0 2.2 2.0 ! A.445 at -3.59e+06 assign (resid 28 and name HB# ) (resid 30 and name HN ) 4.0 2.2 1.0 ! A.219 at 8.78e+06 assign (resid 28 and name HN ) (resid 36 and name HZ ) 4.0 2.2 1.0 ! A.784 at 5.40e+06 assign (resid 28 and name HN ) (resid 59 and name HG2# ) 3.0 1.2 1.0 ! A.782 at 7.62e+07 assign (resid 28 and name HB# ) (resid 78 and name HE22 ) 4.0 2.2 1.0 ! A.1199 at 4.89e+06 assign (resid 28 and name HB# ) (resid 78 and name HE21 ) 4.0 2.2 1.0 ! A.169 at 5.06e+06 assign (resid 28 and name HN ) (resid 88 and name HD1# ) 4.0 2.2 1.5 ! A.780 at 4.92e+06 ! A29 assign (resid 29 and name HB# ) (resid 29 and name HN ) 4.0 2.2 1.5 ! A.444 at -1.22e+07 assign (resid 29 and name HB# ) (resid 30 and name HN ) 4.0 2.2 1.5 ! A.637 at 1.25e+07 assign (resid 29 and name HN ) (resid 30 and name HN ) 4.0 2.2 2.0 ! A.639 at 4.10e+06 assign (resid 29 and name HB# ) (resid 78 and name HE21 ) 4.0 2.2 1.5 ! A.1449 at 4.72e+06 assign (resid 29 and name HB# ) (resid 78 and name HE22 ) 4.0 2.2 1.5 ! A.1450 at 8.80e+06 ! S30 assign (resid 30 and name HB2 ) (resid 30 and name HN ) 4.0 2.2 1.0 ! A.217 at 2.06e+07 assign (resid 30 and name HB1 ) (resid 30 and name HN ) 4.0 2.2 1.0 ! A.218 at 1.59e+07 assign (resid 30 and name HN ) (resid 31 and name HB# ) 4.0 2.2 2.0 ! A.1263 at 2.54e+06 assign (resid 30 and name HB2 ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.184 at 9.66e+06 assign (resid 30 and name HB1 ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.185 at 7.88e+06 assign (resid 30 and name HB1 ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.307 at 8.27e+06 assign (resid 30 and name HB2 ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.308 at 4.67e+06 assign (resid 30 and name HN ) (resid 33 and name HG1# ) 4.0 2.2 1.5 ! A.636 at 5.70e+06 assign (resid 30 and name HN ) (resid 78 and name HE21 ) 4.0 2.2 2.0 ! A.1454 at 2.73e+06 assign (resid 30 and name HB2 ) (resid 78 and name HE22 ) 4.0 2.2 1.0 ! A.165 at 1.13e+07 assign (resid 30 and name HB2 ) (resid 78 and name HE21 ) 4.0 2.2 1.0 ! A.166 at 1.00e+07 assign (resid 30 and name HB1 ) (resid 78 and name HE21 ) 4.0 2.2 1.0 ! A.170 at 6.95e+06 assign (resid 30 and name HB1 ) (resid 78 and name HE22 ) 4.0 2.2 1.0 ! A.167 at 1.00e+07 assign (resid 30 and name HN ) (resid 88 and name HG2# ) 4.0 2.2 2.5 ! A.1264 at 2.66e+06 ! D31 assign (resid 31 and name HB# ) (resid 31 and name HN ) 4.0 2.2 1.0 ! A.1054 at 1.00e+07 assign (resid 31 and name HN ) (resid 32 and name HN ) 4.0 2.2 2.0 ! A.1057 at 3.35e+06 assign (resid 31 and name HB# ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.612 at 2.28e+07 assign (resid 31 and name HB# ) (resid 33 and name HN ) 4.0 2.2 2.0 ! A.866 at 3.20e+06 ! T32 assign (resid 32 and name HG2# ) (resid 32 and name HN ) 3.0 1.2 1.0 ! A.610 at 4.50e+07 assign (resid 32 and name HB ) (resid 32 and name HN ) 3.0 1.2 0.5 ! A.188 at 4.62e+07 assign (resid 32 and name HN ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.873 at 3.34e+07 assign (resid 32 and name HG2# ) (resid 33 and name HN ) 4.0 2.2 1.5 ! A.870 at 2.47e+07 assign (resid 32 and name HA ) (resid 33 and name HN ) 3.0 1.2 0.5 ! A.305 at 1.25e+08 assign (resid 32 and name HN ) (resid 33 and name HB ) 4.0 2.2 1.0 ! A.611 at 6.31e+06 assign (resid 32 and name HN ) (resid 33 and name HA ) 4.0 2.2 1.0 ! A.186 at 4.90e+06 assign (resid 32 and name HN ) (resid 33 and name HG1# ) 4.0 2.2 1.5 ! A.11 at 1.67e+07 ! V33 assign (resid 33 and name HB ) (resid 33 and name HN ) 3.0 1.2 0.5 ! A.868 at 1.16e+08 assign (resid 33 and name HG1# ) (resid 33 and name HN ) 3.0 1.2 1.0 ! A.1266 at 1.15e+08 assign (resid 33 and name HN ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.872 at 1.05e+07 assign (resid 33 and name HB ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.772 at 4.09e+07 assign (resid 33 and name HG2# ) (resid 34 and name HN ) 3.0 1.2 1.0 ! A.769 at 4.17e+07 assign (resid 33 and name HA ) (resid 34 and name HN ) 2.5 0.7 0.4 ! A.291 at 1.70e+08 assign (resid 33 and name HG2# ) (resid 35 and name HN ) 3.0 1.2 1.0 ! A.572 at -8.87e+07 assign (resid 33 and name HB ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.575 at -3.66e+07 assign (resid 33 and name HN ) (resid 56 and name HB1 ) 4.0 2.2 1.0 ! A.309 at 5.54e+06 assign (resid 33 and name HG2# ) (resid 56 and name HN ) 4.0 2.2 1.5 ! A.616 at 5.01e+06 assign (resid 33 and name HG2# ) (resid 58 and name HN ) 4.0 2.2 2.5 ! A.1464 at 2.72e+06 assign (resid 33 and name HN ) (resid 78 and name HG1 ) 4.0 2.2 1.0 ! A.867 at 5.75e+06 assign (resid 33 and name HG1# ) (resid 78 and name HE21 ) 4.0 2.2 1.5 ! A.1445 at 1.36e+07 assign (resid 33 and name HG1# ) (resid 78 and name HE22 ) 4.0 2.2 1.5 ! A.1446 at 1.48e+07 assign (resid 33 and name HG2# ) (resid 79 and name HN ) 4.0 2.2 1.5 ! A.487 at 2.34e+07 assign (resid 33 and name HA ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.408 at 5.87e+06 assign (resid 33 and name HG2# ) (resid 80 and name HN ) 4.0 2.2 1.5 ! A.1563 at 6.64e+06 ! S34 assign (resid 34 and name HB# ) (resid 34 and name HN ) 3.0 1.2 0.5 ! A.292 at 7.05e+07 assign (resid 34 and name HA ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.381 at -2.96e+07 assign (resid 34 and name HN ) (resid 35 and name HN ) 2.5 0.7 0.4 ! A.578 at -1.81e+08 assign (resid 34 and name HN ) (resid 56 and name HA ) 4.0 2.2 2.0 ! A.776 at 3.90e+06 assign (resid 34 and name HN ) (resid 78 and name HG1 ) 4.0 2.2 1.0 ! A.773 at 6.30e+06 assign (resid 34 and name HN ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.499 at 7.51e+06 assign (resid 34 and name HN ) (resid 79 and name HG11 ) 4.0 2.2 2.0 ! A.770 at 3.11e+06 assign (resid 34 and name HN ) (resid 79 and name HB ) 4.0 2.2 1.0 ! A.771 at 1.37e+07 assign (resid 34 and name HB# ) (resid 80 and name HN ) 4.0 2.2 2.0 ! A.358 at 3.70e+06 assign (resid 34 and name HN ) (resid 80 and name HB2 ) 4.0 2.2 2.0 ! A.775 at 7.91e+06 assign (resid 34 and name HN ) (resid 80 and name HA ) 3.0 1.2 0.5 ! A.290 at 3.83e+07 assign (resid 34 and name HB# ) (resid 81 and name HN ) 4.0 2.2 2.0 ! A.359 at 3.31e+06 assign (resid 34 and name HB# ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.1586 at -7.88e+06 ! G35 assign (resid 35 and name HN ) (resid 36 and name HN ) 4.0 2.2 1.0 ! A.579 at -1.15e+07 assign (resid 35 and name HN ) (resid 36 and name HA ) 4.0 2.2 1.0 ! A.377 at -5.13e+06 assign (resid 35 and name HA1 ) (resid 36 and name HN ) 3.0 1.2 0.5 ! A.83 at 1.02e+08 assign (resid 35 and name HA2 ) (resid 36 and name HN ) 3.0 1.2 0.5 ! A.82 at 1.03e+08 assign (resid 35 and name HA2 ) (resid 54 and name HN ) 4.0 2.2 2.0 ! A.1094 at 3.88e+06 assign (resid 35 and name HA1 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.1095 at 4.73e+06 assign (resid 35 and name HN ) (resid 56 and name HA ) 4.0 2.2 1.0 ! A.577 at -1.26e+07 assign (resid 35 and name HN ) (resid 56 and name HN ) 4.0 2.2 2.0 ! A.626 at 3.13e+06 assign (resid 35 and name HA2 ) (resid 56 and name HN ) 3.0 1.2 0.5 ! A.206 at 9.82e+07 assign (resid 35 and name HA1 ) (resid 56 and name HN ) 4.0 2.2 1.0 ! A.208 at 1.02e+07 assign (resid 35 and name HA2 ) (resid 58 and name HN ) 4.0 2.2 2.0 ! A.544 at 3.47e+06 assign (resid 35 and name HN ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.106 at 2.68e+07 assign (resid 35 and name HA2 ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.497 at 5.02e+06 assign (resid 35 and name HN ) (resid 79 and name HB ) 3.0 1.2 0.5 ! A.574 at -5.54e+07 assign (resid 35 and name HN ) (resid 79 and name HG12 ) 4.0 2.2 2.0 ! A.1269 at -5.57e+06 assign (resid 35 and name HN ) (resid 79 and name HG11 ) 4.0 2.2 1.0 ! A.573 at -5.58e+06 assign (resid 35 and name HN ) (resid 80 and name HA ) 4.0 2.2 1.0 ! A.382 at -8.44e+06 ! F36 assign (resid 36 and name HB1 ) (resid 36 and name HN ) 4.0 2.2 1.0 ! A.1272 at 2.32e+07 assign (resid 36 and name HB2 ) (resid 36 and name HN ) 3.0 1.2 0.5 ! A.646 at 4.24e+07 assign (resid 36 and name HD# ) (resid 36 and name HN ) 3.0 1.2 0.5 ! A.651 at 3.58e+07 assign (resid 36 and name HE# ) (resid 36 and name HN ) 4.0 2.2 1.0 ! A.650 at 5.86e+06 assign (resid 36 and name HN ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.1280 at 6.29e+06 assign (resid 36 and name HB2 ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.1276 at 3.03e+07 assign (resid 36 and name HB1 ) (resid 37 and name HN ) 3.0 1.2 0.5 ! A.1110 at 4.71e+07 assign (resid 36 and name HA ) (resid 37 and name HN ) 2.5 0.7 0.4 ! A.84 at 1.56e+08 assign (resid 36 and name HD# ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.1279 at 1.71e+07 assign (resid 36 and name HN ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.74 at 3.93e+07 assign (resid 36 and name HB2 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.1091 at 1.81e+07 assign (resid 36 and name HD# ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.1347 at 5.68e+06 assign (resid 36 and name HN ) (resid 54 and name HB2 ) 4.0 2.2 1.0 ! A.644 at 2.73e+07 assign (resid 36 and name HN ) (resid 54 and name HB1 ) 4.0 2.2 1.0 ! A.645 at 1.19e+07 assign (resid 36 and name HN ) (resid 54 and name HA ) 4.0 2.2 2.0 ! A.224 at 3.54e+06 assign (resid 36 and name HN ) (resid 54 and name HD1# ) 4.0 2.2 1.5 ! A.642 at 9.94e+06 assign (resid 36 and name HN ) (resid 55 and name HA ) 4.0 2.2 2.0 ! A.223 at 4.16e+06 assign (resid 36 and name HN ) (resid 56 and name HA ) 4.0 2.2 1.0 ! A.1214 at 8.93e+06 assign (resid 36 and name HN ) (resid 56 and name HN ) 4.0 2.2 1.0 ! A.653 at 4.93e+06 assign (resid 36 and name HE# ) (resid 56 and name HN ) 4.0 2.2 2.0 ! A.627 at 4.11e+06 assign (resid 36 and name HE# ) (resid 58 and name HN ) 3.0 1.2 0.5 ! A.1475 at 3.63e+07 assign (resid 36 and name HN ) (resid 58 and name HB# ) 4.0 2.2 1.5 ! A.1271 at 1.07e+07 assign (resid 36 and name HD# ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.1561 at 5.44e+06 assign (resid 36 and name HA ) (resid 79 and name HN ) 3.0 1.2 0.5 ! A.105 at 3.84e+07 assign (resid 36 and name HB1 ) (resid 79 and name HN ) 4.0 2.2 2.0 ! A.496 at 4.42e+06 assign (resid 36 and name HN ) (resid 79 and name HD1# ) 4.0 2.2 1.5 ! A.640 at 5.81e+06 assign (resid 36 and name HN ) (resid 79 and name HG2# ) 4.0 2.2 2.5 ! A.641 at 3.69e+06 assign (resid 36 and name HN ) (resid 79 and name HB ) 4.0 2.2 2.0 ! A.643 at 3.95e+06 assign (resid 36 and name HE* ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.502 at 5.70e+06 ! R37 assign (resid 37 and name HB1 ) (resid 37 and name HN ) 3.0 1.2 0.5 ! A.1107 at 3.99e+07 assign (resid 37 and name HB2 ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.1108 at 3.03e+07 assign (resid 37 and name HG2 ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.1106 at 9.37e+06 assign (resid 37 and name HA ) (resid 37 and name HE ) 4.0 2.2 2.0 ! A.278 at 3.86e+06 assign (resid 37 and name HB1 ) (resid 37 and name HE ) 4.0 2.2 1.0 ! A.1353 at 1.14e+07 assign (resid 37 and name HB2 ) (resid 37 and name HE ) 4.0 2.2 1.0 ! A.1354 at 9.90e+06 assign (resid 37 and name HG2 ) (resid 37 and name HE ) 4.0 2.2 1.0 ! A.1348 at 8.39e+06 assign (resid 37 and name HG1 ) (resid 37 and name HE ) 4.0 2.2 1.0 ! A.1352 at 1.21e+07 assign (resid 37 and name HN ) (resid 38 and name HA ) 4.0 2.2 1.0 ! A.1277 at 4.76e+06 assign (resid 37 and name HN ) (resid 38 and name HG2# ) 4.0 2.2 1.5 ! A.1274 at 1.06e+07 assign (resid 37 and name HD# ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.430 at -9.71e+06 assign (resid 37 and name HG2 ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.427 at -1.54e+07 assign (resid 37 and name HB2 ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.1282 at -2.52e+07 assign (resid 37 and name HA ) (resid 38 and name HN ) 2.5 0.7 0.4 ! A.80 at -1.63e+08 assign (resid 37 and name HB1 ) (resid 39 and name HN ) 4.0 2.2 2.0 ! A.422 at -4.31e+06 assign (resid 37 and name HE ) (resid 39 and name HB2 ) 4.0 2.2 1.0 ! A.1349 at 5.94e+06 assign (resid 37 and name HE ) (resid 51 and name HB2 ) 4.0 2.2 2.0 ! A.1355 at 4.24e+06 assign (resid 37 and name HE ) (resid 51 and name HA ) 4.0 2.2 2.0 ! A.1360 at 2.64e+06 assign (resid 37 and name HE ) (resid 51 and name HD# ) 4.0 2.2 1.0 ! A.1357 at 5.17e+06 assign (resid 37 and name HE ) (resid 51 and name HE# ) 4.0 2.2 2.0 ! A.1358 at 3.74e+06 assign (resid 37 and name HD# ) (resid 53 and name HN ) 4.0 2.2 2.0 ! A.1196 at 4.64e+06 assign (resid 37 and name HN ) (resid 54 and name HD1# ) 4.0 2.2 2.5 ! A.1104 at 5.38e+06 assign (resid 37 and name HN ) (resid 76 and name HG1# ) 4.0 2.2 1.5 ! A.36 at 1.26e+07 assign (resid 37 and name HN ) (resid 76 and name HA ) 4.0 2.2 1.0 ! A.142 at 7.23e+06 assign (resid 37 and name HB2 ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.1142 at 5.48e+06 assign (resid 37 and name HN ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.101 at 2.38e+07 assign (resid 37 and name HN ) (resid 77 and name HB2 ) 4.0 2.2 1.0 ! A.1111 at 2.36e+07 assign (resid 37 and name HN ) (resid 77 and name HD# ) 4.0 2.2 1.0 ! A.1278 at 7.48e+06 assign (resid 37 and name HN ) (resid 78 and name HA ) 4.0 2.2 1.0 ! A.103 at 1.46e+07 assign (resid 37 and name HN ) (resid 78 and name HB# ) 4.0 2.2 1.0 ! A.1642 at 6.39e+06 assign (resid 37 and name HN ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.500 at 8.39e+06 assign (resid 37 and name HN ) (resid 79 and name HG11 ) 4.0 2.2 1.0 ! A.1105 at 9.43e+06 assign (resid 37 and name HN ) (resid 79 and name HG12 ) 4.0 2.2 1.0 ! A.1103 at 1.26e+07 assign (resid 37 and name HN ) (resid 79 and name HD1# ) 4.0 2.2 1.5 ! A.143 at 1.60e+07 assign (resid 37 and name HG2 ) (resid 85 and name HE22 ) 4.0 2.2 2.0 ! A.1367 at -2.39e+06 assign (resid 37 and name HD# ) (resid 85 and name HE22 ) 4.0 2.2 1.0 ! A.1377 at -9.62e+06 assign (resid 37 and name HD# ) (resid 85 and name HE21 ) 4.0 2.2 1.0 ! A.1376 at -6.86e+06 assign (resid 37 and name HB1 ) (resid 85 and name HE22 ) 4.0 2.2 2.0 ! A.1368 at -2.75e+06 assign (resid 37 and name HB2 ) (resid 85 and name HE22 ) 4.0 2.2 1.0 ! A.1369 at -8.83e+06 ! V38 assign (resid 38 and name HG2# ) (resid 38 and name HN ) 3.0 1.2 1.0 ! A.433 at -4.32e+07 assign (resid 38 and name HG1# ) (resid 38 and name HN ) 4.0 2.2 1.5 ! A.1211 at -1.66e+07 assign (resid 38 and name HB ) (resid 38 and name HN ) 3.0 1.2 0.5 ! A.428 at -7.55e+07 assign (resid 38 and name HG1# ) (resid 39 and name HN ) 3.0 1.2 1.0 ! A.424 at -4.97e+07 assign (resid 38 and name HA ) (resid 39 and name HN ) 2.5 0.7 0.4 ! A.85 at -1.48e+08 assign (resid 38 and name HN ) (resid 51 and name HA ) 4.0 2.2 1.0 ! A.2 at -6.55e+06 assign (resid 38 and name HN ) (resid 51 and name HB1 ) 4.0 2.2 1.0 ! A.430 at -9.71e+06 assign (resid 38 and name HB ) (resid 52 and name HN ) 3.0 1.2 0.5 ! A.1025 at 3.55e+07 assign (resid 38 and name HN ) (resid 52 and name HN ) 3.0 1.2 0.5 ! A.73 at 4.56e+07 assign (resid 38 and name HN ) (resid 52 and name HB2 ) 3.0 1.2 0.5 ! A.431 at -3.66e+07 assign (resid 38 and name HN ) (resid 53 and name HN ) 4.0 2.2 2.0 ! A.1342 at 3.05e+06 assign (resid 38 and name HN ) (resid 53 and name HB1 ) 4.0 2.2 2.0 ! A.1651 at -5.60e+06 assign (resid 38 and name HG2# ) (resid 54 and name HN ) 4.0 2.2 2.5 ! A.1085 at 4.47e+06 assign (resid 38 and name HN ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.1099 at 1.20e+07 assign (resid 38 and name HN ) (resid 54 and name HD1# ) 4.0 2.2 1.5 ! A.432 at -1.39e+07 assign (resid 38 and name HG2# ) (resid 61 and name HN ) 4.0 2.2 1.5 ! A.703 at 1.52e+07 assign (resid 38 and name HA ) (resid 76 and name HN ) 4.0 2.2 2.0 ! A.1542 at 3.94e+06 assign (resid 38 and name HN ) (resid 76 and name HG2# ) 4.0 2.2 2.5 ! A.1281 at -3.53e+06 assign (resid 38 and name HN ) (resid 76 and name HA ) 4.0 2.2 2.0 ! A.194 at -3.03e+06 assign (resid 38 and name HN ) (resid 76 and name HG1# ) 4.0 2.2 2.5 ! A.4 at -3.09e+06 assign (resid 38 and name HA ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.100 at 1.94e+07 assign (resid 38 and name HG2# ) (resid 77 and name HN ) 4.0 2.2 1.5 ! A.1139 at 1.10e+07 assign (resid 38 and name HG1# ) (resid 77 and name HN ) 4.0 2.2 1.5 ! A.1210 at 6.83e+06 assign (resid 38 and name HN ) (resid 77 and name HD# ) 4.0 2.2 2.0 ! A.1283 at -3.15e+06 ! E39 assign (resid 39 and name HB2 ) (resid 39 and name HN ) 3.0 1.2 0.5 ! A.419 at -5.16e+07 assign (resid 39 and name HB1 ) (resid 39 and name HN ) 3.0 1.2 0.5 ! A.420 at -4.44e+07 assign (resid 39 and name HN ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.941 at 7.02e+06 assign (resid 39 and name HG2 ) (resid 40 and name HN ) 3.0 1.2 0.5 ! A.933 at 3.54e+07 assign (resid 39 and name HB1 ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.935 at 1.28e+07 assign (resid 39 and name HA ) (resid 40 and name HN ) 2.5 0.7 0.4 ! A.77 at 1.58e+08 assign (resid 39 and name HN ) (resid 40 and name HD# ) 4.0 2.2 1.0 ! A.1 at -1.28e+07 assign (resid 39 and name HA ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.296 at 9.79e+06 assign (resid 39 and name HG2 ) (resid 50 and name HN ) 3.0 1.2 0.5 ! A.1657 at 5.20e+07 assign (resid 39 and name HA ) (resid 51 and name HN ) 4.0 2.2 2.0 ! A.229 at 4.00e+06 assign (resid 39 and name HN ) (resid 51 and name HA ) 4.0 2.2 2.0 ! A.1286 at -2.41e+06 assign (resid 39 and name HA ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.79 at 1.75e+07 assign (resid 39 and name HN ) (resid 52 and name HN ) 4.0 2.2 2.0 ! A.425 at -4.30e+06 assign (resid 39 and name HN ) (resid 63 and name HD1# ) 4.0 2.2 2.5 ! A.1284 at -2.33e+06 assign (resid 39 and name HN ) (resid 74 and name HA ) 4.0 2.2 1.0 ! A.197 at -5.73e+06 assign (resid 39 and name HN ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.91 at 3.20e+07 assign (resid 39 and name HB1 ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.1195 at 1.18e+07 assign (resid 39 and name HB1 ) (resid 75 and name HD22 ) 4.0 2.2 2.0 ! A.1390 at 7.15e+06 assign (resid 39 and name HB1 ) (resid 75 and name HD21 ) 4.0 2.2 1.0 ! A.1393 at 8.75e+06 assign (resid 39 and name HN ) (resid 75 and name HB2 ) 4.0 2.2 1.0 ! A.421 at -1.21e+07 assign (resid 39 and name HN ) (resid 76 and name HG1# ) 4.0 2.2 2.5 ! A.16 at -2.59e+06 assign (resid 39 and name HN ) (resid 76 and name HG2# ) 4.0 2.2 1.5 ! A.15 at -6.82e+06 assign (resid 39 and name HN ) (resid 76 and name HA ) 4.0 2.2 1.0 ! A.98 at -1.92e+07 assign (resid 39 and name HN ) (resid 77 and name HE# ) 4.0 2.2 1.0 ! A.1658 at -9.17e+06 ! Y40 assign (resid 40 and name HE# ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.944 at 7.10e+06 assign (resid 40 and name HB2 ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.937 at 1.41e+07 assign (resid 40 and name HD# ) (resid 40 and name HN ) 3.0 1.2 0.5 ! A.1290 at 5.29e+07 assign (resid 40 and name HB1 ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.936 at 1.35e+07 assign (resid 40 and name HA ) (resid 41 and name HN ) 2.5 0.7 0.4 ! A.87 at 1.67e+08 assign (resid 40 and name HB1 ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.726 at 2.69e+07 assign (resid 40 and name HB2 ) (resid 41 and name HN ) 3.0 1.2 0.5 ! A.725 at 4.88e+07 assign (resid 40 and name HD# ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.1295 at 1.23e+07 assign (resid 40 and name HN ) (resid 49 and name HB2 ) 4.0 2.2 1.0 ! A.931 at 1.06e+07 assign (resid 40 and name HN ) (resid 49 and name HA ) 4.0 2.2 1.0 ! A.316 at 7.95e+06 assign (resid 40 and name HN ) (resid 50 and name HB1 ) 4.0 2.2 1.0 ! A.1289 at 7.56e+06 assign (resid 40 and name HN ) (resid 50 and name HB2 ) 4.0 2.2 1.0 ! A.27 at 1.05e+07 assign (resid 40 and name HN ) (resid 50 and name HN ) 3.0 1.2 0.5 ! A.71 at 3.67e+07 assign (resid 40 and name HE# ) (resid 50 and name HN ) 4.0 2.2 2.0 ! A.1325 at 3.80e+06 assign (resid 40 and name HD# ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.1326 at 7.58e+06 assign (resid 40 and name HA ) (resid 50 and name HN ) 4.0 2.2 2.0 ! A.848 at 3.00e+06 assign (resid 40 and name HB2 ) (resid 50 and name HN ) 4.0 2.2 2.0 ! A.846 at 2.58e+06 assign (resid 40 and name HE# ) (resid 50 and name HE21 ) 4.0 2.2 1.0 ! A.1410 at 1.21e+07 assign (resid 40 and name HE# ) (resid 50 and name HE22 ) 4.0 2.2 1.0 ! A.1409 at 1.40e+07 assign (resid 40 and name HN ) (resid 51 and name HA ) 4.0 2.2 1.0 ! A.78 at 1.56e+07 assign (resid 40 and name HE# ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.1327 at 6.48e+06 assign (resid 40 and name HE# ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.1333 at 1.01e+07 assign (resid 40 and name HD# ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.1334 at 7.53e+06 assign (resid 40 and name HN ) (resid 52 and name HN ) 4.0 2.2 2.0 ! A.942 at 5.52e+06 assign (resid 40 and name HB2 ) (resid 74 and name HN ) 4.0 2.2 2.0 ! A.483 at 3.85e+06 assign (resid 40 and name HA ) (resid 74 and name HN ) 4.0 2.2 2.0 ! A.484 at 3.83e+06 assign (resid 40 and name HN ) (resid 74 and name HA ) 4.0 2.2 2.0 ! A.938 at 3.73e+06 assign (resid 40 and name HN ) (resid 74 and name HG* ) 4.0 2.2 1.5 ! A.1288 at 7.72e+06 assign (resid 40 and name HA ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.92 at 1.90e+07 assign (resid 40 and name HB1 ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.1158 at 8.56e+06 ! E41 assign (resid 41 and name HG1 ) (resid 41 and name HN ) 3.0 1.2 0.5 ! A.1293 at 4.35e+07 assign (resid 41 and name HG2 ) (resid 41 and name HN ) 3.0 1.2 0.5 ! A.722 at 3.71e+07 assign (resid 41 and name HN ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.1174 at 1.29e+07 assign (resid 41 and name HA ) (resid 42 and name HN ) 2.5 0.7 0.4 ! A.417 at 1.67e+08 assign (resid 41 and name HB2 ) (resid 42 and name HN ) 3.0 1.2 0.5 ! A.1168 at 7.35e+07 assign (resid 41 and name HG1 ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.1167 at 2.03e+07 assign (resid 41 and name HB1 ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.1298 at 5.55e+07 assign (resid 41 and name HN ) (resid 49 and name HA ) 4.0 2.2 2.0 ! A.1294 at 2.86e+06 assign (resid 41 and name HB1 ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.1321 at 2.65e+07 assign (resid 41 and name HA ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.76 at 1.47e+07 assign (resid 41 and name HN ) (resid 50 and name HN ) 4.0 2.2 2.0 ! A.1297 at 2.68e+06 assign (resid 41 and name HB1 ) (resid 50 and name HE21 ) 4.0 2.2 2.0 ! A.1401 at 4.59e+06 assign (resid 41 and name HB2 ) (resid 50 and name HE21 ) 4.0 2.2 2.0 ! A.1404 at 4.36e+06 assign (resid 41 and name HB2 ) (resid 50 and name HE22 ) 4.0 2.2 2.0 ! A.1405 at 3.73e+06 assign (resid 41 and name HN ) (resid 72 and name HD# ) 4.0 2.2 1.0 ! A.1296 at 2.64e+07 assign (resid 41 and name HG1 ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.1332 at 1.41e+07 assign (resid 41 and name HN ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.89 at 3.33e+07 assign (resid 41 and name HG2 ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.1331 at 1.68e+07 assign (resid 41 and name HN ) (resid 73 and name HG11 ) 4.0 2.2 2.0 ! A.1291 at 2.57e+06 assign (resid 41 and name HN ) (resid 73 and name HG12 ) 4.0 2.2 2.0 ! A.727 at 3.57e+06 assign (resid 41 and name HN ) (resid 73 and name HB ) 4.0 2.2 1.0 ! A.724 at 2.00e+07 assign (resid 41 and name HN ) (resid 73 and name HG2# ) 4.0 2.2 1.5 ! A.721 at 9.07e+06 assign (resid 41 and name HN ) (resid 74 and name HA ) 4.0 2.2 1.0 ! A.90 at 2.29e+07 assign (resid 41 and name HN ) (resid 74 and name HG2# ) 4.0 2.2 1.5 ! A.720 at 1.46e+07 assign (resid 41 and name HN ) (resid 75 and name HN ) 4.0 2.2 2.0 ! A.1162 at 2.67e+06 ! L42 assign (resid 42 and name HD1# ) (resid 42 and name HN ) 4.0 2.2 1.5 ! A.1164 at 2.48e+07 assign (resid 42 and name HD2# ) (resid 42 and name HN ) 4.0 2.2 1.5 ! A.37 at 1.93e+07 assign (resid 42 and name HG ) (resid 42 and name HN ) 3.0 1.2 0.5 ! A.1165 at 1.07e+08 assign (resid 42 and name HB2 ) (resid 42 and name HN ) 3.0 1.2 0.5 ! A.1166 at 1.04e+08 assign (resid 42 and name HN ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.137 at 1.02e+07 assign (resid 42 and name HD1# ) (resid 43 and name HN ) 4.0 2.2 1.5 ! A.736 at 1.86e+07 assign (resid 42 and name HB1 ) (resid 43 and name HN ) 3.0 1.2 0.5 ! A.728 at 3.83e+07 assign (resid 42 and name HD2# ) (resid 43 and name HN ) 3.0 1.2 1.0 ! A.21 at 3.55e+07 assign (resid 42 and name HB2 ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.729 at 2.38e+07 assign (resid 42 and name HA ) (resid 43 and name HN ) 2.5 0.7 0.4 ! A.247 at 1.99e+08 assign (resid 42 and name HD2# ) (resid 44 and name HN ) 4.0 2.2 2.5 ! A.796 at 4.26e+06 assign (resid 42 and name HD1# ) (resid 44 and name HN ) 4.0 2.2 1.5 ! A.797 at 5.19e+06 assign (resid 42 and name HA ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.1307 at 7.23e+06 assign (resid 42 and name HB1 ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.800 at 2.00e+07 assign (resid 42 and name HB2 ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.799 at 1.15e+07 assign (resid 42 and name HN ) (resid 44 and name HN ) 4.0 2.2 2.0 ! A.808 at 2.93e+06 assign (resid 42 and name HB2 ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.834 at 7.31e+06 assign (resid 42 and name HD1# ) (resid 45 and name HN ) 4.0 2.2 2.5 ! A.832 at 2.85e+06 assign (resid 42 and name HB1 ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.833 at 8.40e+06 assign (resid 42 and name HA ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.284 at 5.86e+06 assign (resid 42 and name HD2# ) (resid 45 and name HN ) 4.0 2.2 2.5 ! A.831 at 3.12e+06 assign (resid 42 and name HB2 ) (resid 46 and name HN ) 4.0 2.2 2.0 ! A.598 at -2.58e+06 assign (resid 42 and name HB1 ) (resid 46 and name HN ) 4.0 2.2 2.0 ! A.597 at -2.58e+06 assign (resid 42 and name HN ) (resid 47 and name HB1 ) 4.0 2.2 1.0 ! A.1204 at 1.13e+07 assign (resid 42 and name HN ) (resid 47 and name HB2 ) 4.0 2.2 1.0 ! A.1169 at 6.94e+06 assign (resid 42 and name HB1 ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.902 at 4.86e+06 assign (resid 42 and name HN ) (resid 47 and name HN ) 4.0 2.2 2.0 ! A.911 at 4.32e+06 assign (resid 42 and name HD1# ) (resid 47 and name HN ) 4.0 2.2 1.5 ! A.901 at 6.86e+06 assign (resid 42 and name HB2 ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.903 at 7.50e+06 assign (resid 42 and name HN ) (resid 49 and name HA ) 4.0 2.2 1.0 ! A.393 at 7.95e+06 assign (resid 42 and name HD1# ) (resid 67 and name HN ) 4.0 2.2 2.5 ! A.1059 at 3.55e+06 assign (resid 42 and name HD2# ) (resid 67 and name HN ) 4.0 2.2 1.5 ! A.1058 at 4.89e+06 assign (resid 42 and name HD2# ) (resid 70 and name HN ) 4.0 2.2 1.5 ! A.817 at 5.09e+06 assign (resid 42 and name HD2# ) (resid 71 and name HN ) 4.0 2.2 1.5 ! A.25 at 2.04e+07 assign (resid 42 and name HD1# ) (resid 71 and name HN ) 4.0 2.2 1.5 ! A.889 at 6.81e+06 assign (resid 42 and name HA ) (resid 72 and name HN ) 4.0 2.2 2.0 ! A.402 at 3.41e+06 assign (resid 42 and name HN ) (resid 72 and name HE# ) 4.0 2.2 1.0 ! A.1299 at 1.34e+07 assign (resid 42 and name HA ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.350 at 1.81e+07 assign (resid 42 and name HD2# ) (resid 73 and name HN ) 4.0 2.2 1.5 ! A.1017 at 5.05e+06 ! S43 assign (resid 43 and name HB# ) (resid 43 and name HN ) 3.0 1.2 0.5 ! A.244 at 1.25e+08 assign (resid 43 and name HN ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.804 at 3.20e+07 assign (resid 43 and name HB# ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.297 at 1.91e+07 assign (resid 43 and name HN ) (resid 44 and name HB2 ) 4.0 2.2 1.0 ! A.731 at 7.63e+06 assign (resid 43 and name HN ) (resid 44 and name HG# ) 4.0 2.2 1.0 ! A.732 at 8.19e+06 assign (resid 43 and name HN ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.1316 at 7.97e+06 assign (resid 43 and name HB# ) (resid 71 and name HN ) 4.0 2.2 1.0 ! A.300 at 7.39e+06 assign (resid 43 and name HN ) (resid 71 and name HB1 ) 4.0 2.2 1.0 ! A.730 at 9.52e+06 assign (resid 43 and name HN ) (resid 72 and name HD# ) 4.0 2.2 1.0 ! A.1302 at 7.12e+06 assign (resid 43 and name HN ) (resid 72 and name HB2 ) 4.0 2.2 2.0 ! A.1301 at 4.83e+06 assign (resid 43 and name HN ) (resid 72 and name HB1 ) 4.0 2.2 1.0 ! A.734 at 5.90e+06 assign (resid 43 and name HN ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.136 at 4.88e+06 assign (resid 43 and name HN ) (resid 72 and name HA ) 3.0 1.2 0.5 ! A.249 at 6.18e+07 assign (resid 43 and name HN ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.1035 at 1.11e+07 assign (resid 43 and name HB# ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.351 at 5.79e+06 assign (resid 43 and name HN ) (resid 73 and name HD1# ) 4.0 2.2 1.5 ! A.1300 at 9.46e+06 ! E44 assign (resid 44 and name HB2 ) (resid 44 and name HN ) 3.0 1.2 0.5 ! A.798 at 3.54e+07 assign (resid 44 and name HB1 ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.802 at 2.31e+07 assign (resid 44 and name HG# ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.801 at 3.39e+07 assign (resid 44 and name HN ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.807 at 2.14e+07 assign (resid 44 and name HB2 ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.1310 at 3.51e+07 assign (resid 44 and name HG# ) (resid 71 and name HN ) 4.0 2.2 2.0 ! A.1521 at 3.25e+06 assign (resid 44 and name HN ) (resid 71 and name HN ) 4.0 2.2 1.0 ! A.1309 at 2.04e+07 assign (resid 44 and name HN ) (resid 73 and name HG11 ) 4.0 2.2 2.0 ! A.1303 at 2.76e+06 ! E45 assign (resid 45 and name HG# ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.836 at 7.02e+07 assign (resid 45 and name HB2 ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.835 at 8.00e+07 assign (resid 45 and name HB1 ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.837 at 6.44e+07 assign (resid 45 and name HG# ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.601 at -1.26e+07 assign (resid 45 and name HB2 ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.599 at -1.41e+07 assign (resid 45 and name HA ) (resid 46 and name HN ) 3.0 1.2 0.5 ! A.399 at -7.98e+07 assign (resid 45 and name HN ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.595 at -2.51e+07 assign (resid 45 and name HB1 ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.600 at -2.34e+07 assign (resid 45 and name HN ) (resid 46 and name HA# ) 4.0 2.2 1.0 ! A.283 at 5.93e+06 assign (resid 45 and name HA ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.315 at 1.10e+07 assign (resid 45 and name HB1 ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.905 at 2.17e+07 assign (resid 45 and name HB2 ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.904 at 1.29e+07 assign (resid 45 and name HG# ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.906 at 1.24e+07 ! G46 assign (resid 46 and name HN ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.596 at -3.20e+07 assign (resid 46 and name HA# ) (resid 47 and name HN ) 3.0 1.2 0.5 ! A.314 at 8.61e+07 ! D47 assign (resid 47 and name HB1 ) (resid 47 and name HN ) 3.0 1.2 0.5 ! A.908 at 6.47e+07 assign (resid 47 and name HB2 ) (resid 47 and name HN ) 3.0 1.2 0.5 ! A.907 at 9.20e+07 assign (resid 47 and name HB1 ) (resid 48 and name HN ) 3.0 1.2 0.5 ! A.918 at 6.44e+07 assign (resid 47 and name HA ) (resid 48 and name HN ) 2.5 0.7 0.4 ! A.1319 at 2.70e+08 assign (resid 47 and name HB2 ) (resid 48 and name HN ) 3.0 1.2 0.5 ! A.917 at 5.82e+07 assign (resid 47 and name HB1 ) (resid 50 and name HE21 ) 4.0 2.2 2.0 ! A.1408 at 2.45e+06 ! E48 assign (resid 48 and name HB2 ) (resid 48 and name HN ) 3.0 1.2 0.5 ! A.914 at 1.19e+08 assign (resid 48 and name HB1 ) (resid 48 and name HN ) 3.0 1.2 0.5 ! A.915 at 6.68e+07 assign (resid 48 and name HG# ) (resid 48 and name HN ) 3.0 1.2 0.5 ! A.916 at 5.86e+07 assign (resid 48 and name HN ) (resid 49 and name HD2 ) 4.0 2.2 1.0 ! A.148 at 1.11e+07 assign (resid 48 and name HN ) (resid 49 and name HD1 ) 4.0 2.2 1.0 ! A.147 at 1.52e+07 assign (resid 48 and name HG# ) (resid 50 and name HN ) 4.0 2.2 2.0 ! A.1323 at 3.19e+06 assign (resid 48 and name HG# ) (resid 50 and name HE21 ) 4.0 2.2 1.0 ! A.1403 at 4.61e+06 assign (resid 48 and name HG# ) (resid 50 and name HE22 ) 4.0 2.2 2.0 ! A.1407 at 2.78e+06 ! P49 assign (resid 49 and name HB2 ) (resid 50 and name HN ) 3.0 1.2 0.5 ! A.839 at 4.16e+07 assign (resid 49 and name HA ) (resid 50 and name HN ) 2.5 0.7 0.4 ! A.64 at 2.08e+08 ! Q50 assign (resid 50 and name HE22 ) (resid 50 and name HN ) 4.0 2.2 2.0 ! A.1324 at 4.18e+06 assign (resid 50 and name HB2 ) (resid 50 and name HN ) 3.0 1.2 0.5 ! A.838 at 7.19e+07 assign (resid 50 and name HG# ) (resid 50 and name HN ) 3.0 1.2 0.5 ! A.840 at 6.56e+07 assign (resid 50 and name HG# ) (resid 50 and name HE22 ) 4.0 2.2 1.0 ! A.1406 at 3.04e+07 assign (resid 50 and name HG# ) (resid 50 and name HE21 ) 3.0 1.2 0.5 ! A.1402 at 5.16e+07 assign (resid 50 and name HB1 ) (resid 50 and name HE21 ) 4.0 2.2 1.0 ! A.1400 at 7.14e+06 assign (resid 50 and name HA ) (resid 50 and name HE21 ) 4.0 2.2 1.0 ! A.203 at 6.84e+06 assign (resid 50 and name HB2 ) (resid 50 and name HE21 ) 4.0 2.2 1.0 ! A.12 at 7.89e+06 assign (resid 50 and name HA ) (resid 50 and name HE22 ) 4.0 2.2 2.0 ! A.204 at 4.29e+06 assign (resid 50 and name HB2 ) (resid 50 and name HE22 ) 4.0 2.2 1.0 ! A.1398 at 5.11e+06 assign (resid 50 and name HB1 ) (resid 50 and name HE22 ) 4.0 2.2 2.0 ! A.1399 at 4.39e+06 assign (resid 50 and name HN ) (resid 51 and name HA ) 4.0 2.2 2.0 ! A.847 at 3.58e+06 assign (resid 50 and name HA ) (resid 51 and name HN ) 2.5 0.7 0.4 ! A.65 at 1.84e+08 assign (resid 50 and name HG# ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.658 at 2.74e+07 assign (resid 50 and name HB1 ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.657 at 8.78e+07 assign (resid 50 and name HB2 ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.654 at 3.37e+07 assign (resid 50 and name HE22 ) (resid 66 and name HD2# ) 4.0 2.2 2.5 ! A.1397 at 2.75e+06 ! Y51 assign (resid 51 and name HB1 ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.660 at 3.27e+07 assign (resid 51 and name HB2 ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.659 at 5.55e+07 assign (resid 51 and name HD# ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.663 at 4.42e+07 assign (resid 51 and name HE# ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.1328 at 7.74e+06 assign (resid 51 and name HN ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.1036 at 6.75e+06 assign (resid 51 and name HA ) (resid 52 and name HN ) 2.5 0.7 0.4 ! A.67 at 1.52e+08 assign (resid 51 and name HD# ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.1335 at 1.56e+07 assign (resid 51 and name HN ) (resid 52 and name HD1# ) 4.0 2.2 2.5 ! A.655 at 2.78e+06 assign (resid 51 and name HN ) (resid 52 and name HD2# ) 4.0 2.2 2.5 ! A.656 at 2.66e+06 ! L52 assign (resid 52 and name HD1# ) (resid 52 and name HN ) 3.0 1.2 1.0 ! A.1018 at 3.45e+07 assign (resid 52 and name HB2 ) (resid 52 and name HN ) 3.0 1.2 0.5 ! A.1023 at 6.33e+07 assign (resid 52 and name HD2# ) (resid 52 and name HN ) 4.0 2.2 1.5 ! A.1020 at 1.72e+07 assign (resid 52 and name HD1# ) (resid 53 and name HN ) 4.0 2.2 1.5 ! A.1070 at 9.45e+06 assign (resid 52 and name HB1 ) (resid 53 and name HN ) 3.0 1.2 0.5 ! A.1203 at 4.30e+07 assign (resid 52 and name HA ) (resid 53 and name HN ) 2.5 0.7 0.4 ! A.68 at 2.62e+08 assign (resid 52 and name HG ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.1073 at 1.48e+07 assign (resid 52 and name HN ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.1339 at 9.04e+06 assign (resid 52 and name HB1 ) (resid 54 and name HN ) 4.0 2.2 2.0 ! A.1343 at 1.04e+07 assign (resid 52 and name HD2# ) (resid 53 and name HN ) 3.0 1.2 1.0 ! A.1071 at 3.95e+07 ! D53 assign (resid 53 and name HB1 ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.1076 at 5.47e+07 assign (resid 53 and name HB2 ) (resid 53 and name HN ) 3.0 1.2 0.5 ! A.1074 at 9.93e+07 assign (resid 53 and name HN ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.1098 at 9.58e+06 assign (resid 53 and name HB1 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.1089 at 2.56e+07 assign (resid 53 and name HA ) (resid 54 and name HN ) 2.5 0.7 0.4 ! A.69 at 2.02e+08 ! L54 assign (resid 54 and name HG ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.1653 at 7.44e+07 assign (resid 54 and name HB2 ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.1344 at 7.44e+07 assign (resid 54 and name HD1# ) (resid 54 and name HN ) 3.0 1.2 1.0 ! A.1086 at 3.98e+07 assign (resid 54 and name HB1 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.1088 at 2.94e+07 assign (resid 54 and name HN ) (resid 55 and name HD1 ) 4.0 2.2 1.0 ! A.150 at 5.55e+06 assign (resid 54 and name HN ) (resid 55 and name HD2 ) 4.0 2.2 2.0 ! A.149 at 4.59e+06 assign (resid 54 and name HB2 ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.1465 at 9.71e+06 assign (resid 54 and name HB2 ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.1344 at 7.44e+07 assign (resid 54 and name HD1# ) (resid 58 and name HN ) 4.0 2.2 1.5 ! A.537 at 8.34e+06 assign (resid 54 and name HD2# ) (resid 59 and name HN ) 4.0 2.2 2.5 ! A.1476 at -3.66e+06 assign (resid 54 and name HB2 ) (resid 60 and name HN ) 4.0 2.2 2.0 ! A.1478 at 3.68e+06 assign (resid 54 and name HD2# ) (resid 60 and name HN ) 4.0 2.2 1.5 ! A.553 at 1.30e+07 assign (resid 54 and name HB1 ) (resid 60 and name HN ) 4.0 2.2 2.0 ! A.1479 at 2.78e+06 assign (resid 54 and name HN ) (resid 79 and name HD1# ) 4.0 2.2 2.5 ! A.1093 at 2.42e+06 ! P55 assign (resid 55 and name HA ) (resid 56 and name HN ) 2.5 0.7 0.4 ! A.207 at 1.47e+08 assign (resid 55 and name HB2 ) (resid 56 and name HN ) 3.0 1.2 0.5 ! A.620 at 6.13e+07 assign (resid 55 and name HB1 ) (resid 56 and name HN ) 3.0 1.2 0.5 ! A.621 at 3.44e+07 assign (resid 55 and name HG2 ) (resid 56 and name HN ) 4.0 2.2 1.0 ! A.619 at 9.25e+06 assign (resid 55 and name HB1 ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.566 at -1.92e+07 assign (resid 55 and name HB2 ) (resid 57 and name HN ) 3.0 1.2 0.5 ! A.567 at -5.95e+07 assign (resid 55 and name HA ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.373 at -1.13e+07 assign (resid 55 and name HG2 ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.565 at -2.27e+07 assign (resid 55 and name HB1 ) (resid 58 and name HN ) 4.0 2.2 2.0 ! A.542 at 4.50e+06 assign (resid 55 and name HG2 ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.543 at 2.52e+07 assign (resid 55 and name HG1 ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.1468 at 1.52e+07 assign (resid 55 and name HB2 ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.541 at 1.52e+07 assign (resid 55 and name HA ) (resid 58 and name HN ) 4.0 2.2 2.0 ! A.413 at 3.24e+06 ! S56 assign (resid 56 and name HA ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.371 at -2.47e+07 assign (resid 56 and name HB2 ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.1462 at -1.14e+07 assign (resid 56 and name HN ) (resid 57 and name HN ) 3.0 1.2 0.5 ! A.569 at -3.86e+07 assign (resid 56 and name HN ) (resid 57 and name HG2# ) 4.0 2.2 1.5 ! A.617 at 8.28e+06 assign (resid 56 and name HN ) (resid 57 and name HA ) 4.0 2.2 2.0 ! A.1459 at 3.86e+06 assign (resid 56 and name HA ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.410 at 2.59e+07 assign (resid 56 and name HN ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.550 at 5.67e+06 assign (resid 56 and name HN ) (resid 58 and name HB# ) 4.0 2.2 2.5 ! A.618 at 3.01e+06 ! T57 assign (resid 57 and name HB ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.374 at -1.63e+07 assign (resid 57 and name HG2# ) (resid 57 and name HN ) 3.0 1.2 1.0 ! A.563 at -8.97e+07 assign (resid 57 and name HG2# ) (resid 58 and name HN ) 4.0 2.2 1.5 ! A.538 at 1.36e+07 assign (resid 57 and name HN ) (resid 58 and name HN ) 3.0 1.2 0.5 ! A.546 at 1.10e+08 assign (resid 57 and name HA ) (resid 58 and name HN ) 3.0 1.2 0.5 ! A.411 at 3.43e+07 assign (resid 57 and name HB ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.1470 at 6.32e+06 assign (resid 57 and name HN ) (resid 58 and name HB# ) 4.0 2.2 1.5 ! A.564 at -1.76e+07 assign (resid 57 and name HN ) (resid 58 and name HA ) 4.0 2.2 1.0 ! A.1463 at -1.39e+07 ! A58 assign (resid 58 and name HB# ) (resid 58 and name HN ) 2.5 0.7 0.9 ! A.539 at 2.44e+08 assign (resid 58 and name HN ) (resid 59 and name HG2# ) 4.0 2.2 1.5 ! A.536 at 5.51e+06 assign (resid 58 and name HN ) (resid 59 and name HA ) 4.0 2.2 2.0 ! A.1469 at 2.85e+06 assign (resid 58 and name HB# ) (resid 59 and name HN ) 3.0 1.2 1.0 ! A.589 at -4.37e+07 assign (resid 58 and name HA ) (resid 59 and name HN ) 2.5 0.7 0.4 ! A.389 at -1.76e+08 assign (resid 58 and name HN ) (resid 60 and name HN ) 4.0 2.2 2.0 ! A.549 at 3.75e+06 assign (resid 58 and name HB# ) (resid 60 and name HN ) 3.0 1.2 1.0 ! A.554 at 6.74e+07 assign (resid 58 and name HB# ) (resid 61 and name HN ) 4.0 2.2 2.5 ! A.1654 at 5.35e+06 ! T59 assign (resid 59 and name HG2# ) (resid 59 and name HN ) 3.0 1.2 1.0 ! A.587 at -3.78e+07 assign (resid 59 and name HB ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.591 at -1.22e+07 assign (resid 59 and name HN ) (resid 60 and name HN ) 2.5 0.7 0.4 ! A.592 at -1.66e+08 assign (resid 59 and name HB ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.191 at 1.03e+07 assign (resid 59 and name HA ) (resid 60 and name HN ) 3.0 1.2 0.5 ! A.53 at 4.53e+07 assign (resid 59 and name HG2# ) (resid 60 and name HN ) 4.0 2.2 1.5 ! A.552 at 2.33e+07 ! S60 assign (resid 60 and name HB2 ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.556 at 1.86e+07 assign (resid 60 and name HB1 ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.557 at 2.16e+07 assign (resid 60 and name HB1 ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.255 at 3.32e+07 assign (resid 60 and name HB2 ) (resid 61 and name HN ) 3.0 1.2 0.5 ! A.243 at 6.87e+07 assign (resid 60 and name HN ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.712 at 1.34e+07 assign (resid 60 and name HA ) (resid 61 and name HN ) 2.5 0.7 0.4 ! A.54 at 2.05e+08 assign (resid 60 and name HN ) (resid 61 and name HB ) 4.0 2.2 1.0 ! A.555 at 5.40e+06 ! V61 assign (resid 61 and name HG2# ) (resid 61 and name HN ) 4.0 2.2 1.5 ! A.1212 at 2.21e+07 assign (resid 61 and name HG1# ) (resid 61 and name HN ) 3.0 1.2 1.0 ! A.704 at 9.57e+07 assign (resid 61 and name HB ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.699 at 2.60e+07 assign (resid 61 and name HB ) (resid 62 and name HN ) 4.0 2.2 1.0 ! A.531 at 2.89e+07 assign (resid 61 and name HA ) (resid 62 and name HN ) 2.5 0.7 0.4 ! A.55 at 2.69e+08 assign (resid 61 and name HG2# ) (resid 62 and name HN ) 3.0 1.2 1.0 ! A.1487 at 1.27e+08 assign (resid 61 and name HG1# ) (resid 62 and name HN ) 3.0 1.2 1.0 ! A.1490 at 8.60e+07 assign (resid 61 and name HN ) (resid 62 and name HN ) 4.0 2.2 1.0 ! A.1492 at 1.16e+07 assign (resid 61 and name HN ) (resid 62 and name HA ) 4.0 2.2 2.0 ! A.1485 at 4.43e+06 assign (resid 61 and name HN ) (resid 63 and name HG12 ) 4.0 2.2 2.0 ! A.705 at 3.88e+06 assign (resid 61 and name HN ) (resid 63 and name HG11 ) 4.0 2.2 2.0 ! A.706 at 3.66e+06 assign (resid 61 and name HG1# ) (resid 63 and name HN ) 4.0 2.2 1.5 ! A.474 at -1.54e+07 ! N62 assign (resid 62 and name HD22 ) (resid 62 and name HN ) 4.0 2.2 2.0 ! A.524 at 3.53e+06 assign (resid 62 and name HD21 ) (resid 62 and name HN ) 4.0 2.2 2.0 ! A.523 at 3.58e+06 assign (resid 62 and name HB1 ) (resid 62 and name HN ) 3.0 1.2 0.5 ! A.533 at 8.25e+07 assign (resid 62 and name HB2 ) (resid 62 and name HN ) 3.0 1.2 0.5 ! A.532 at 7.45e+07 assign (resid 62 and name HA ) (resid 62 and name HD21 ) 4.0 2.2 1.0 ! A.176 at 5.21e+06 assign (resid 62 and name HB2 ) (resid 62 and name HD21 ) 4.0 2.2 1.0 ! A.1438 at 1.82e+07 assign (resid 62 and name HB2 ) (resid 62 and name HD22 ) 4.0 2.2 1.0 ! A.1439 at 1.29e+07 assign (resid 62 and name HB1 ) (resid 62 and name HD21 ) 4.0 2.2 1.0 ! A.1441 at 3.20e+07 assign (resid 62 and name HB1 ) (resid 62 and name HD22 ) 4.0 2.2 1.0 ! A.1440 at 2.48e+07 assign (resid 62 and name HA ) (resid 62 and name HD22 ) 4.0 2.2 2.0 ! A.177 at 4.52e+06 assign (resid 62 and name HN ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.1493 at 1.16e+07 assign (resid 62 and name HN ) (resid 63 and name HG12 ) 4.0 2.2 2.0 ! A.534 at 4.12e+06 assign (resid 62 and name HD21 ) (resid 63 and name HN ) 4.0 2.2 2.0 ! A.1444 at 3.19e+06 assign (resid 62 and name HB1 ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.471 at -9.51e+06 assign (resid 62 and name HA ) (resid 63 and name HN ) 2.5 0.7 0.4 ! A.56 at -1.77e+08 assign (resid 62 and name HB2 ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.472 at -1.18e+07 assign (resid 62 and name HD22 ) (resid 66 and name HG ) 4.0 2.2 2.0 ! A.1435 at 2.52e+06 ! I63 assign (resid 63 and name HG11 ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.10 at -3.27e+07 assign (resid 63 and name HG12 ) (resid 63 and name HN ) 3.0 1.2 0.5 ! A.476 at -7.64e+07 assign (resid 63 and name HB ) (resid 63 and name HN ) 3.0 1.2 0.5 ! A.475 at -8.64e+07 assign (resid 63 and name HG2# ) (resid 63 and name HN ) 4.0 2.2 1.5 ! A.7 at -1.50e+07 assign (resid 63 and name HD1# ) (resid 63 and name HN ) 4.0 2.2 1.5 ! A.9 at -1.70e+07 assign (resid 63 and name HN ) (resid 64 and name HD1 ) 4.0 2.2 1.0 ! A.153 at -6.94e+06 assign (resid 63 and name HN ) (resid 64 and name HD2 ) 4.0 2.2 2.0 ! A.151 at -2.78e+06 assign (resid 63 and name HG2# ) (resid 65 and name HN ) 4.0 2.2 1.5 ! A.17 at 1.60e+07 assign (resid 63 and name HG2# ) (resid 66 and name HN ) 4.0 2.2 1.5 ! A.1503 at 2.75e+07 assign (resid 63 and name HN ) (resid 66 and name HD1# ) 4.0 2.2 2.5 ! A.8 at -4.15e+06 ! P64 assign (resid 64 and name HB# ) (resid 65 and name HN ) 3.0 1.2 0.5 ! A.1498 at 8.64e+07 assign (resid 64 and name HD2 ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.211 at 1.17e+07 assign (resid 64 and name HA ) (resid 65 and name HN ) 2.5 0.7 0.4 ! A.214 at 1.61e+08 assign (resid 64 and name HA ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.264 at 1.69e+07 assign (resid 64 and name HB1 ) (resid 66 and name HN ) 4.0 2.2 2.0 ! A.1647 at 4.95e+07 assign (resid 64 and name HD1 ) (resid 65 and name HN ) 4.0 2.2 2.0 ! A.220 at 6.19e+06 ! D65 assign (resid 65 and name HB1 ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.210 at 2.25e+07 assign (resid 65 and name HB2 ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.209 at 2.35e+07 assign (resid 65 and name HB1 ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.261 at 5.77e+06 assign (resid 65 and name HB2 ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.260 at 6.12e+06 assign (resid 65 and name HN ) (resid 66 and name HN ) 3.0 1.2 0.5 ! A.755 at 6.68e+07 assign (resid 65 and name HA ) (resid 66 and name HN ) 3.0 1.2 0.5 ! A.263 at 1.01e+08 assign (resid 65 and name HN ) (resid 66 and name HG ) 4.0 2.2 1.0 ! A.628 at 9.96e+06 assign (resid 65 and name HN ) (resid 66 and name HB2 ) 4.0 2.2 1.0 ! A.629 at 5.76e+06 ! L66 assign (resid 66 and name HG ) (resid 66 and name HN ) 3.0 1.2 0.5 ! A.747 at 1.26e+08 assign (resid 66 and name HB2 ) (resid 66 and name HN ) 3.0 1.2 0.5 ! A.748 at 9.19e+07 assign (resid 66 and name HD1# ) (resid 66 and name HN ) 4.0 2.2 1.5 ! A.22 at 2.57e+07 assign (resid 66 and name HD2# ) (resid 66 and name HN ) 4.0 2.2 1.5 ! A.1502 at 3.29e+07 assign (resid 66 and name HA ) (resid 67 and name HN ) 3.0 1.2 0.5 ! A.365 at 1.07e+08 assign (resid 66 and name HD1# ) (resid 67 and name HN ) 4.0 2.2 1.5 ! A.34 at 1.15e+07 assign (resid 66 and name HD2# ) (resid 67 and name HN ) 4.0 2.2 1.5 ! A.35 at 3.04e+07 assign (resid 66 and name HN ) (resid 67 and name HN ) 4.0 2.2 1.0 ! A.1065 at 1.16e+07 assign (resid 66 and name HB1 ) (resid 67 and name HN ) 3.0 1.2 0.5 ! A.1061 at 7.13e+07 assign (resid 66 and name HN ) (resid 67 and name HG ) 4.0 2.2 2.0 ! A.1644 at 5.25e+06 ! L67 assign (resid 67 and name HB1 ) (resid 67 and name HN ) 3.0 1.2 0.5 ! A.1062 at 4.48e+07 assign (resid 67 and name HD2# ) (resid 67 and name HN ) 3.0 1.2 1.0 ! A.1060 at 4.96e+07 assign (resid 67 and name HN ) (resid 68 and name HD1 ) 4.0 2.2 1.0 ! A.155 at 7.68e+06 assign (resid 67 and name HN ) (resid 68 and name HD2 ) 4.0 2.2 1.0 ! A.154 at 7.87e+06 assign (resid 67 and name HB2 ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.824 at 4.63e+06 assign (resid 67 and name HD* ) (resid 70 and name HN ) 4.0 2.2 2.5 ! A.818 at 3.03e+06 assign (resid 67 and name HN ) (resid 72 and name HE# ) 3.0 1.2 0.5 ! A.1507 at 3.87e+07 ! P68 assign (resid 68 and name HG# ) (resid 69 and name HN ) 4.0 2.2 1.0 ! A.1510 at 7.01e+06 assign (resid 68 and name HA ) (resid 69 and name HN ) 3.0 1.2 0.5 ! A.178 at 1.16e+08 assign (resid 68 and name HB2 ) (resid 69 and name HN ) 4.0 2.2 1.0 ! A.605 at 2.49e+07 assign (resid 68 and name HB1 ) (resid 69 and name HN ) 4.0 2.2 1.0 ! A.606 at 1.98e+07 assign (resid 68 and name HD2 ) (resid 69 and name HN ) 4.0 2.2 2.0 ! A.1192 at 8.04e+06 assign (resid 68 and name HD2 ) (resid 70 and name HN ) 4.0 2.2 2.0 ! A.1513 at 2.95e+06 assign (resid 68 and name HA ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.273 at 1.74e+07 assign (resid 68 and name HB2 ) (resid 70 and name HN ) 4.0 2.2 2.0 ! A.823 at 3.51e+06 ! G69 assign (resid 69 and name HA# ) (resid 70 and name HN ) 3.0 1.2 0.5 ! A.274 at 5.23e+07 assign (resid 69 and name HN ) (resid 70 and name HN ) 3.0 1.2 0.5 ! A.828 at 5.20e+07 assign (resid 69 and name HN ) (resid 70 and name HB# ) 4.0 2.2 2.0 ! A.604 at 3.65e+06 assign (resid 69 and name HN ) (resid 70 and name HG# ) 4.0 2.2 1.0 ! A.603 at 6.39e+06 assign (resid 69 and name HN ) (resid 94 and name HG2# ) 4.0 2.2 2.5 ! A.1509 at 3.36e+06 assign (resid 69 and name HA# ) (resid 95 and name HN ) 4.0 2.2 2.0 ! A.360 at 4.47e+06 assign (resid 69 and name HN ) (resid 95 and name HA ) 4.0 2.2 2.0 ! A.180 at 8.01e+06 assign (resid 69 and name HN ) (resid 95 and name HG2# ) 4.0 2.2 1.5 ! A.602 at 9.45e+06 assign (resid 69 and name HN ) (resid 95 and name HN ) 4.0 2.2 2.0 ! A.608 at 4.56e+06 ! R70 assign (resid 70 and name HD2 ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.275 at 5.71e+06 assign (resid 70 and name HB# ) (resid 70 and name HN ) 3.0 1.2 0.5 ! A.821 at 6.80e+07 assign (resid 70 and name HG# ) (resid 70 and name HN ) 3.0 1.2 0.5 ! A.820 at 4.02e+07 assign (resid 70 and name HA ) (resid 71 and name HN ) 2.5 0.7 0.4 ! A.96 at 2.20e+08 assign (resid 70 and name HB# ) (resid 71 and name HN ) 3.0 1.2 0.5 ! A.893 at 1.25e+08 assign (resid 70 and name HD# ) (resid 71 and name HN ) 4.0 2.2 1.0 ! A.1522 at 1.62e+07 assign (resid 70 and name HA ) (resid 72 and name HN ) 4.0 2.2 2.0 ! A.1529 at 9.14e+06 assign (resid 70 and name HN ) (resid 72 and name HE# ) 4.0 2.2 1.0 ! A.1516 at 1.04e+07 assign (resid 70 and name HN ) (resid 94 and name HA ) 4.0 2.2 1.0 ! A.272 at 7.32e+06 assign (resid 70 and name HN ) (resid 94 and name HG2# ) 4.0 2.2 1.5 ! A.825 at 8.15e+06 assign (resid 70 and name HB# ) (resid 95 and name HN ) 4.0 2.2 2.0 ! A.1568 at 4.07e+06 assign (resid 70 and name HN ) (resid 95 and name HN ) 4.0 2.2 1.0 ! A.1133 at 2.79e+07 assign (resid 70 and name HN ) (resid 95 and name HA ) 4.0 2.2 2.0 ! A.276 at 3.80e+06 assign (resid 70 and name HN ) (resid 95 and name HG2# ) 4.0 2.2 1.5 ! A.819 at 1.25e+07 ! K71 assign (resid 71 and name HG2 ) (resid 71 and name HN ) 4.0 2.2 1.0 ! A.890 at 1.21e+07 assign (resid 71 and name HB1 ) (resid 71 and name HN ) 3.0 1.2 0.5 ! A.894 at 8.24e+07 assign (resid 71 and name HB2 ) (resid 71 and name HN ) 3.0 1.2 0.5 ! A.1520 at 7.31e+07 assign (resid 71 and name HG1 ) (resid 71 and name HN ) 4.0 2.2 1.5 ! A.891 at 1.49e+07 assign (resid 71 and name HG2 ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.1178 at 2.24e+07 assign (resid 71 and name HB1 ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.1181 at 1.06e+07 assign (resid 71 and name HG1 ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.1179 at 2.82e+07 assign (resid 71 and name HA ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.95 at 1.54e+08 assign (resid 71 and name HN ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.135 at 6.10e+06 assign (resid 71 and name HB2 ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.1180 at 1.74e+07 assign (resid 71 and name HN ) (resid 72 and name HE# ) 4.0 2.2 1.0 ! A.1523 at 6.97e+06 assign (resid 71 and name HN ) (resid 72 and name HA ) 4.0 2.2 2.0 ! A.897 at 2.59e+06 assign (resid 71 and name HG2 ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.981 at 1.66e+07 assign (resid 71 and name HA ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.338 at 1.13e+07 assign (resid 71 and name HN ) (resid 94 and name HA ) 4.0 2.2 1.0 ! A.302 at 5.53e+06 assign (resid 71 and name HA ) (resid 94 and name HN ) 4.0 2.2 1.0 ! A.1636 at 7.58e+06 assign (resid 71 and name HB2 ) (resid 95 and name HN ) 4.0 2.2 2.0 ! A.1569 at 4.05e+06 assign (resid 71 and name HA ) (resid 95 and name HN ) 4.0 2.2 1.0 ! A.1572 at 3.39e+07 ! Y72 assign (resid 72 and name HD# ) (resid 72 and name HN ) 3.0 1.2 0.5 ! A.1531 at 3.68e+07 assign (resid 72 and name HB2 ) (resid 72 and name HN ) 3.0 1.2 0.5 ! A.1526 at 5.22e+07 assign (resid 72 and name HN ) (resid 73 and name HA ) 4.0 2.2 2.0 ! A.403 at 4.36e+06 assign (resid 72 and name HA ) (resid 73 and name HN ) 2.5 0.7 0.4 ! A.94 at 1.86e+08 assign (resid 72 and name HD# ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.1336 at 1.78e+07 assign (resid 72 and name HB1 ) (resid 73 and name HN ) 3.0 1.2 0.5 ! A.1027 at 5.49e+07 assign (resid 72 and name HN ) (resid 74 and name HG2# ) 4.0 2.2 2.5 ! A.1177 at 3.05e+06 assign (resid 72 and name HN ) (resid 92 and name HA ) 4.0 2.2 1.0 ! A.405 at 4.82e+06 assign (resid 72 and name HN ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.127 at 2.65e+07 assign (resid 72 and name HB2 ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.985 at 1.25e+07 assign (resid 72 and name HD# ) (resid 93 and name HN ) 4.0 2.2 2.0 ! A.1633 at 4.50e+06 assign (resid 72 and name HA ) (resid 93 and name HN ) 4.0 2.2 2.0 ! A.1631 at 3.09e+06 assign (resid 72 and name HN ) (resid 94 and name HA ) 4.0 2.2 1.0 ! A.128 at 2.44e+07 assign (resid 72 and name HD# ) (resid 95 and name HN ) 4.0 2.2 1.0 ! A.1578 at 8.78e+06 ! I73 assign (resid 73 and name HG11 ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.1021 at 2.20e+07 assign (resid 73 and name HB ) (resid 73 and name HN ) 3.0 1.2 0.5 ! A.1024 at 8.63e+07 assign (resid 73 and name HG12 ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.1022 at 2.35e+07 assign (resid 73 and name HG11 ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.482 at 7.72e+06 assign (resid 73 and name HG2# ) (resid 74 and name HN ) 3.0 1.2 1.0 ! A.481 at 5.93e+07 assign (resid 73 and name HA ) (resid 74 and name HN ) 2.5 0.7 0.4 ! A.112 at 2.14e+08 assign (resid 73 and name HG12 ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.478 at 6.92e+06 assign (resid 73 and name HN ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.485 at 1.26e+07 assign (resid 73 and name HG2# ) (resid 75 and name HN ) 4.0 2.2 1.5 ! A.1532 at 1.25e+07 assign (resid 73 and name HG2# ) (resid 75 and name HD22 ) 3.0 1.2 1.0 ! A.1383 at 4.68e+07 assign (resid 73 and name HG2# ) (resid 75 and name HD21 ) 4.0 2.2 1.5 ! A.1382 at 2.91e+07 assign (resid 73 and name HB ) (resid 75 and name HD22 ) 4.0 2.2 2.0 ! A.1388 at 4.38e+06 assign (resid 73 and name HB ) (resid 75 and name HD21 ) 4.0 2.2 2.0 ! A.1387 at 2.61e+06 assign (resid 73 and name HA ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.343 at 9.73e+06 assign (resid 73 and name HG2# ) (resid 92 and name HN ) 4.0 2.2 2.5 ! A.1623 at 3.35e+06 assign (resid 73 and name HG2# ) (resid 93 and name HN ) 4.0 2.2 1.5 ! A.1628 at 5.48e+06 ! V74 assign (resid 74 and name HB ) (resid 74 and name HN ) 3.0 1.2 0.5 ! A.477 at 7.72e+07 assign (resid 74 and name HG2# ) (resid 74 and name HN ) 3.0 1.2 1.0 ! A.480 at 6.71e+07 assign (resid 74 and name HB ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.1154 at 8.56e+06 assign (resid 74 and name HN ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.132 at 5.04e+06 assign (resid 74 and name HG1# ) (resid 75 and name HN ) 3.0 1.2 1.0 ! A.1151 at 6.19e+07 assign (resid 74 and name HA ) (resid 75 and name HN ) 2.5 0.7 0.4 ! A.93 at 1.89e+08 assign (resid 74 and name HG1# ) (resid 75 and name HD21 ) 4.0 2.2 1.5 ! A.1386 at 5.12e+06 assign (resid 74 and name HG1# ) (resid 75 and name HD22 ) 4.0 2.2 1.5 ! A.1384 at 6.47e+06 assign (resid 74 and name HG1# ) (resid 76 and name HN ) 4.0 2.2 1.5 ! A.1536 at 1.61e+07 assign (resid 74 and name HN ) (resid 91 and name HG2# ) 4.0 2.2 1.5 ! A.479 at 1.95e+07 assign (resid 74 and name HN ) (resid 91 and name HN ) 3.0 1.2 0.5 ! A.113 at 3.79e+07 assign (resid 74 and name HB ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.1003 at 2.06e+07 assign (resid 74 and name HN ) (resid 92 and name HB2 ) 4.0 2.2 1.0 ! A.406 at 9.06e+06 assign (resid 74 and name HN ) (resid 92 and name HA ) 3.0 1.2 0.5 ! A.120 at 4.26e+07 assign (resid 74 and name HB ) (resid 92 and name HN ) 4.0 2.2 2.0 ! A.1625 at 3.69e+06 assign (resid 74 and name HN ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.486 at 1.29e+07 assign (resid 74 and name HB ) (resid 93 and name HN ) 4.0 2.2 2.0 ! A.984 at 4.34e+06 assign (resid 74 and name HG2# ) (resid 93 and name HN ) 4.0 2.2 1.5 ! A.980 at 1.39e+07 assign (resid 74 and name HG2# ) (resid 93 and name HE21 ) 4.0 2.2 1.5 ! A.1423 at 9.28e+06 assign (resid 74 and name HG2# ) (resid 93 and name HE22 ) 4.0 2.2 1.5 ! A.1426 at 5.82e+06 ! N75 assign (resid 75 and name HD21 ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.1161 at 6.50e+06 assign (resid 75 and name HB1 ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.1155 at 3.10e+07 assign (resid 75 and name HB2 ) (resid 75 and name HN ) 3.0 1.2 0.5 ! A.1157 at 4.21e+07 assign (resid 75 and name HD22 ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.1163 at 5.56e+06 assign (resid 75 and name HB1 ) (resid 75 and name HD22 ) 4.0 2.2 1.0 ! A.1389 at 2.60e+07 assign (resid 75 and name HA ) (resid 75 and name HD21 ) 4.0 2.2 1.0 ! A.1395 at 4.71e+06 assign (resid 75 and name HB2 ) (resid 75 and name HD22 ) 3.0 1.2 0.5 ! A.1391 at 3.86e+07 assign (resid 75 and name HB2 ) (resid 75 and name HD21 ) 3.0 1.2 0.5 ! A.1392 at 5.17e+07 assign (resid 75 and name HB1 ) (resid 75 and name HD21 ) 3.0 1.2 0.5 ! A.1394 at 3.84e+07 assign (resid 75 and name HA ) (resid 75 and name HD22 ) 4.0 2.2 2.0 ! A.1396 at 4.13e+06 assign (resid 75 and name HN ) (resid 76 and name HG2# ) 4.0 2.2 1.5 ! A.1207 at 5.41e+06 assign (resid 75 and name HN ) (resid 76 and name HN ) 4.0 2.2 1.0 ! A.133 at 5.16e+06 assign (resid 75 and name HA ) (resid 76 and name HN ) 2.5 0.7 0.4 ! A.111 at 1.45e+08 assign (resid 75 and name HB2 ) (resid 76 and name HN ) 4.0 2.2 1.0 ! A.951 at 1.08e+07 assign (resid 75 and name HB1 ) (resid 76 and name HN ) 4.0 2.2 1.0 ! A.950 at 2.31e+07 assign (resid 75 and name HN ) (resid 77 and name HE# ) 4.0 2.2 1.0 ! A.1535 at 5.36e+06 assign (resid 75 and name HN ) (resid 87 and name HD1# ) 4.0 2.2 2.5 ! A.1153 at 3.33e+06 assign (resid 75 and name HD22 ) (resid 87 and name HD1# ) 4.0 2.2 1.5 ! A.1381 at 5.83e+06 assign (resid 75 and name HD21 ) (resid 87 and name HD1# ) 4.0 2.2 1.5 ! A.18 at 7.58e+06 assign (resid 75 and name HA ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.159 at 6.81e+06 assign (resid 75 and name HA ) (resid 90 and name HN ) 4.0 2.2 2.0 ! A.1620 at 4.36e+06 assign (resid 75 and name HA ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.119 at 1.78e+07 ! V76 assign (resid 76 and name HG1# ) (resid 76 and name HN ) 4.0 2.2 1.5 ! A.28 at 1.37e+07 assign (resid 76 and name HG2# ) (resid 76 and name HN ) 3.0 1.2 1.0 ! A.30 at 4.60e+07 assign (resid 76 and name HB ) (resid 76 and name HN ) 3.0 1.2 0.5 ! A.949 at 5.22e+07 assign (resid 76 and name HB ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.1141 at 9.26e+06 assign (resid 76 and name HG1# ) (resid 77 and name HN ) 3.0 1.2 1.0 ! A.38 at 3.78e+07 assign (resid 76 and name HA ) (resid 77 and name HN ) 3.0 1.2 0.5 ! A.99 at 1.37e+08 assign (resid 76 and name HG2# ) (resid 77 and name HN ) 4.0 2.2 1.5 ! A.1138 at 1.41e+07 assign (resid 76 and name HN ) (resid 77 and name HA ) 4.0 2.2 2.0 ! A.329 at 3.14e+06 assign (resid 76 and name HN ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.958 at 7.64e+06 assign (resid 76 and name HN ) (resid 77 and name HE# ) 4.0 2.2 2.0 ! A.1545 at 2.86e+06 assign (resid 76 and name HB ) (resid 78 and name HN ) 4.0 2.2 2.0 ! A.1000 at 2.89e+06 assign (resid 76 and name HG1# ) (resid 78 and name HN ) 4.0 2.2 2.5 ! A.32 at 3.81e+06 assign (resid 76 and name HN ) (resid 87 and name HA ) 4.0 2.2 1.0 ! A.952 at 6.12e+06 assign (resid 76 and name HN ) (resid 87 and name HD1# ) 3.0 1.2 1.0 ! A.29 at 4.20e+07 assign (resid 76 and name HG1# ) (resid 88 and name HN ) 4.0 2.2 1.5 ! A.31 at 6.07e+06 assign (resid 76 and name HG2# ) (resid 88 and name HN ) 4.0 2.2 2.5 ! A.973 at 4.52e+06 assign (resid 76 and name HB ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.968 at 7.90e+06 assign (resid 76 and name HN ) (resid 88 and name HG12 ) 4.0 2.2 1.0 ! A.946 at 1.34e+07 assign (resid 76 and name HN ) (resid 88 and name HG11 ) 4.0 2.2 1.0 ! A.947 at 1.41e+07 assign (resid 76 and name HG2# ) (resid 89 and name HN ) 4.0 2.2 1.5 ! A.987 at 1.01e+07 assign (resid 76 and name HG1# ) (resid 89 and name HN ) 4.0 2.2 1.5 ! A.33 at 7.92e+06 assign (resid 76 and name HB ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.995 at 3.35e+07 assign (resid 76 and name HN ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.956 at 3.22e+07 assign (resid 76 and name HN ) (resid 89 and name HB2 ) 4.0 2.2 1.0 ! A.1539 at 6.22e+06 assign (resid 76 and name HN ) (resid 89 and name HB1 ) 4.0 2.2 1.0 ! A.948 at 2.45e+07 assign (resid 76 and name HN ) (resid 90 and name HN ) 4.0 2.2 2.0 ! A.1546 at 3.34e+06 assign (resid 76 and name HN ) (resid 90 and name HA ) 3.0 1.2 0.5 ! A.1543 at 3.44e+07 assign (resid 76 and name HN ) (resid 90 and name HB# ) 4.0 2.2 2.0 ! A.324 at 4.02e+06 assign (resid 76 and name HG2# ) (resid 91 and name HN ) 4.0 2.2 2.5 ! A.146 at 3.62e+06 assign (resid 76 and name HN ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.1547 at 9.72e+06 ! Y77 assign (resid 77 and name HD# ) (resid 77 and name HN ) 3.0 1.2 0.5 ! A.1550 at 4.39e+07 assign (resid 77 and name HB2 ) (resid 77 and name HN ) 3.0 1.2 0.5 ! A.1143 at 3.80e+07 assign (resid 77 and name HB1 ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.1144 at 2.34e+07 assign (resid 77 and name HN ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.1149 at 1.76e+07 assign (resid 77 and name HB2 ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.999 at 1.56e+07 assign (resid 77 and name HA ) (resid 78 and name HN ) 2.5 0.7 0.4 ! A.110 at 1.58e+08 assign (resid 77 and name HB1 ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.998 at 3.01e+07 assign (resid 77 and name HD# ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.1560 at 1.17e+07 assign (resid 77 and name HB1 ) (resid 85 and name HE21 ) 4.0 2.2 2.0 ! A.1375 at -2.95e+06 assign (resid 77 and name HD# ) (resid 85 and name HE21 ) 4.0 2.2 1.0 ! A.1378 at -1.02e+07 assign (resid 77 and name HD# ) (resid 85 and name HE22 ) 4.0 2.2 1.0 ! A.1379 at -9.61e+06 assign (resid 77 and name HB2 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.698 at 1.16e+07 assign (resid 77 and name HB1 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.697 at 2.52e+07 assign (resid 77 and name HN ) (resid 86 and name HN ) 4.0 2.2 2.0 ! A.1608 at 3.11e+06 assign (resid 77 and name HD# ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.1604 at 1.62e+07 assign (resid 77 and name HN ) (resid 87 and name HA ) 4.0 2.2 2.0 ! A.1146 at 3.40e+06 assign (resid 77 and name HN ) (resid 87 and name HD1# ) 4.0 2.2 2.5 ! A.1137 at 2.73e+06 assign (resid 77 and name HA ) (resid 87 and name HN ) 4.0 2.2 2.0 ! A.443 at -3.65e+06 assign (resid 77 and name HE# ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.1612 at -8.09e+06 assign (resid 77 and name HD# ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.1611 at -8.09e+06 assign (resid 77 and name HB2 ) (resid 88 and name HN ) 4.0 2.2 2.0 ! A.964 at 3.48e+06 assign (resid 77 and name HB1 ) (resid 88 and name HN ) 4.0 2.2 2.0 ! A.965 at 2.73e+06 assign (resid 77 and name HA ) (resid 88 and name HN ) 3.0 1.2 0.5 ! A.333 at 3.73e+07 assign (resid 77 and name HD# ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.1614 at 5.97e+06 assign (resid 77 and name HA ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.160 at 8.43e+06 ! Q78 assign (resid 78 and name HE21 ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.1014 at 4.62e+06 assign (resid 78 and name HB# ) (resid 78 and name HE21 ) 3.0 1.2 0.5 ! A.1453 at 5.65e+07 assign (resid 78 and name HB# ) (resid 78 and name HE22 ) 3.0 1.2 0.5 ! A.1452 at 4.06e+07 assign (resid 78 and name HN ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.501 at 5.38e+06 assign (resid 78 and name HA ) (resid 79 and name HN ) 2.5 0.7 0.4 ! A.104 at 1.63e+08 assign (resid 78 and name HG1 ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.1564 at 7.08e+06 assign (resid 78 and name HN ) (resid 85 and name HA ) 4.0 2.2 1.0 ! A.1008 at 1.05e+07 assign (resid 78 and name HG2 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.1600 at 2.78e+07 assign (resid 78 and name HN ) (resid 86 and name HB1 ) 4.0 2.2 1.0 ! A.1557 at 4.74e+06 assign (resid 78 and name HN ) (resid 86 and name HN ) 3.0 1.2 0.5 ! A.1012 at 4.00e+07 assign (resid 78 and name HA ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.1602 at 3.12e+07 assign (resid 78 and name HN ) (resid 87 and name HA ) 4.0 2.2 1.0 ! A.1559 at 1.76e+07 assign (resid 78 and name HN ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.960 at 1.15e+07 assign (resid 78 and name HE22 ) (resid 88 and name HG2# ) 4.0 2.2 1.5 ! A.1447 at 1.23e+07 assign (resid 78 and name HE21 ) (resid 88 and name HG2# ) 4.0 2.2 1.5 ! A.1448 at 1.13e+07 assign (resid 78 and name HN ) (resid 89 and name HN ) 4.0 2.2 2.0 ! A.1617 at 2.57e+06 ! I79 assign (resid 79 and name HG11 ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.490 at 3.16e+07 assign (resid 79 and name HG2# ) (resid 79 and name HN ) 4.0 2.2 1.5 ! A.488 at 2.25e+07 assign (resid 79 and name HB ) (resid 79 and name HN ) 3.0 1.2 0.5 ! A.491 at 7.40e+07 assign (resid 79 and name HG12 ) (resid 79 and name HN ) 3.0 1.2 0.5 ! A.489 at 3.46e+07 assign (resid 79 and name HN ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.498 at 1.06e+07 assign (resid 79 and name HG11 ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.1122 at 8.53e+06 assign (resid 79 and name HB ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.1118 at 1.19e+07 assign (resid 79 and name HA ) (resid 80 and name HN ) 2.5 0.7 0.4 ! A.109 at 2.62e+08 assign (resid 79 and name HD1# ) (resid 80 and name HN ) 4.0 2.2 1.5 ! A.1115 at 1.13e+07 assign (resid 79 and name HG2# ) (resid 80 and name HN ) 3.0 1.2 1.0 ! A.1116 at 6.95e+07 assign (resid 79 and name HG12 ) (resid 80 and name HN ) 4.0 2.2 2.0 ! A.1117 at 8.37e+06 assign (resid 79 and name HG2# ) (resid 83 and name HN ) 3.0 1.2 1.0 ! A.580 at -3.54e+07 assign (resid 79 and name HG2# ) (resid 84 and name HN ) 4.0 2.2 1.5 ! A.874 at 1.87e+07 assign (resid 79 and name HN ) (resid 85 and name HB# ) 4.0 2.2 2.0 ! A.493 at 2.65e+06 assign (resid 79 and name HG12 ) (resid 85 and name HE21 ) 4.0 2.2 2.0 ! A.1366 at -2.35e+06 assign (resid 79 and name HD1# ) (resid 85 and name HE22 ) 4.0 2.2 2.5 ! A.1363 at -4.41e+06 assign (resid 79 and name HG12 ) (resid 85 and name HE22 ) 4.0 2.2 2.0 ! A.1365 at -2.40e+06 assign (resid 79 and name HG2# ) (resid 85 and name HE21 ) 4.0 2.2 2.5 ! A.1364 at -2.29e+06 assign (resid 79 and name HD1# ) (resid 85 and name HE21 ) 4.0 2.2 1.5 ! A.1362 at -4.66e+06 assign (resid 79 and name HD1# ) (resid 85 and name HN ) 4.0 2.2 2.5 ! A.1598 at 2.37e+06 assign (resid 79 and name HG2# ) (resid 85 and name HN ) 4.0 2.2 2.5 ! A.1595 at 2.69e+06 assign (resid 79 and name HG2# ) (resid 86 and name HN ) 4.0 2.2 2.5 ! A.693 at 3.82e+06 assign (resid 79 and name HD1# ) (resid 86 and name HN ) 4.0 2.2 2.5 ! A.692 at 7.39e+06 assign (resid 79 and name HN ) (resid 86 and name HN ) 4.0 2.2 2.0 ! A.1607 at 3.31e+06 ! S80 assign (resid 80 and name HB2 ) (resid 80 and name HN ) 3.0 1.2 0.5 ! A.355 at 4.31e+07 assign (resid 80 and name HB1 ) (resid 80 and name HN ) 3.0 1.2 0.5 ! A.354 at 5.97e+07 assign (resid 80 and name HB2 ) (resid 81 and name HN ) 4.0 2.2 1.0 ! A.1570 at 2.86e+07 assign (resid 80 and name HA ) (resid 81 and name HN ) 3.0 1.2 0.5 ! A.1573 at 3.76e+07 assign (resid 80 and name HN ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.1567 at 7.77e+06 assign (resid 80 and name HB2 ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.238 at 1.31e+07 assign (resid 80 and name HN ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.586 at -9.40e+06 assign (resid 80 and name HA ) (resid 83 and name HN ) 4.0 2.2 2.0 ! A.584 at -4.58e+06 assign (resid 80 and name HN ) (resid 83 and name HA2 ) 4.0 2.2 2.0 ! A.353 at 4.60e+06 assign (resid 80 and name HN ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.1112 at 2.62e+07 assign (resid 80 and name HN ) (resid 84 and name HB# ) 4.0 2.2 1.0 ! A.1120 at 1.67e+07 assign (resid 80 and name HB1 ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.320 at 1.82e+07 assign (resid 80 and name HB2 ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.1592 at 1.23e+07 assign (resid 80 and name HN ) (resid 85 and name HA ) 4.0 2.2 1.0 ! A.356 at 2.71e+07 assign (resid 80 and name HN ) (resid 85 and name HB# ) 4.0 2.2 2.0 ! A.1119 at 4.79e+06 assign (resid 80 and name HN ) (resid 85 and name HG2 ) 4.0 2.2 1.0 ! A.1656 at 1.05e+07 ! E81 assign (resid 81 and name HG# ) (resid 81 and name HN ) 4.0 2.2 1.0 ! A.1123 at 1.43e+07 assign (resid 81 and name HB# ) (resid 81 and name HN ) 3.0 1.2 0.5 ! A.1124 at 4.44e+07 assign (resid 81 and name HA ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.1582 at 2.93e+07 assign (resid 81 and name HG# ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.675 at 1.05e+07 assign (resid 81 and name HN ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.1134 at 6.11e+06 assign (resid 81 and name HB# ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.674 at 2.90e+07 assign (resid 81 and name HN ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.1589 at -6.62e+06 assign (resid 81 and name HA ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.387 at -2.20e+07 ! D82 assign (resid 82 and name HB1 ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.1580 at 3.36e+07 assign (resid 82 and name HA ) (resid 83 and name HN ) 3.0 1.2 0.5 ! A.386 at -3.47e+07 assign (resid 82 and name HN ) (resid 83 and name HA1 ) 4.0 2.2 2.0 ! A.1581 at 4.58e+06 assign (resid 82 and name HN ) (resid 83 and name HA2 ) 4.0 2.2 1.0 ! A.236 at 5.11e+06 assign (resid 82 and name HB# ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.1591 at -1.19e+07 assign (resid 82 and name HN ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.678 at 1.52e+07 assign (resid 82 and name HB# ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.1590 at 9.32e+06 ! G83 assign (resid 83 and name HN ) (resid 84 and name HN ) 3.0 1.2 0.5 ! A.585 at -8.42e+07 assign (resid 83 and name HN ) (resid 84 and name HB# ) 4.0 2.2 1.0 ! A.1583 at -1.26e+07 assign (resid 83 and name HN ) (resid 84 and name HG2 ) 4.0 2.2 1.0 ! A.1584 at -9.47e+06 assign (resid 83 and name HN ) (resid 84 and name HG1 ) 4.0 2.2 2.0 ! A.583 at -4.30e+06 assign (resid 83 and name HA2 ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.319 at 3.13e+07 ! E84 assign (resid 84 and name HG2 ) (resid 84 and name HN ) 3.0 1.2 0.5 ! A.878 at 4.28e+07 assign (resid 84 and name HB# ) (resid 84 and name HN ) 2.5 0.7 0.4 ! A.877 at 1.85e+08 assign (resid 84 and name HG1 ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.875 at 3.00e+07 assign (resid 84 and name HB# ) (resid 85 and name HN ) 3.0 1.2 0.5 ! A.1080 at 5.52e+07 assign (resid 84 and name HA ) (resid 85 and name HN ) 2.5 0.7 0.4 ! A.376 at 2.03e+08 assign (resid 84 and name HN ) (resid 85 and name HN ) 4.0 2.2 1.0 ! A.1083 at 7.16e+06 assign (resid 84 and name HN ) (resid 85 and name HA ) 4.0 2.2 2.0 ! A.1594 at 2.88e+06 ! Q85 assign (resid 85 and name HG1 ) (resid 85 and name HE22 ) 4.0 2.2 1.0 ! A.1372 at -2.07e+07 assign (resid 85 and name HG2 ) (resid 85 and name HE22 ) 4.0 2.2 1.0 ! A.1371 at -1.92e+07 assign (resid 85 and name HG2 ) (resid 85 and name HE21 ) 4.0 2.2 1.0 ! A.1373 at -2.57e+07 assign (resid 85 and name HG1 ) (resid 85 and name HE21 ) 4.0 2.2 1.0 ! A.1374 at -2.83e+07 assign (resid 85 and name HB# ) (resid 85 and name HN ) 3.0 1.2 0.5 ! A.1079 at 9.06e+07 assign (resid 85 and name HG1 ) (resid 85 and name HN ) 4.0 2.2 1.0 ! A.1081 at 2.67e+07 assign (resid 85 and name HA ) (resid 86 and name HN ) 2.5 0.7 0.4 ! A.253 at 2.08e+08 assign (resid 85 and name HG2 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.1599 at 2.28e+07 assign (resid 85 and name HB# ) (resid 86 and name HN ) 3.0 1.2 0.5 ! A.695 at 3.84e+07 ! S86 assign (resid 86 and name HB2 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.245 at 3.34e+07 assign (resid 86 and name HB1 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.246 at 2.60e+07 assign (resid 86 and name HN ) (resid 87 and name HA ) 4.0 2.2 1.0 ! A.252 at 5.65e+06 assign (resid 86 and name HA ) (resid 87 and name HN ) 3.0 1.2 0.5 ! A.202 at -6.98e+07 assign (resid 86 and name HB1 ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.199 at -1.12e+07 assign (resid 86 and name HB2 ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.198 at -1.09e+07 assign (resid 86 and name HN ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.139 at -8.92e+06 ! L87 assign (resid 87 and name HD2# ) (resid 87 and name HN ) 4.0 2.2 1.5 ! A.14 at -8.84e+06 assign (resid 87 and name HD1# ) (resid 87 and name HN ) 4.0 2.2 1.5 ! A.13 at -8.29e+06 assign (resid 87 and name HB2 ) (resid 87 and name HN ) 3.0 1.2 0.5 ! A.440 at -3.89e+07 assign (resid 87 and name HB1 ) (resid 87 and name HN ) 3.0 1.2 0.5 ! A.441 at -4.18e+07 assign (resid 87 and name HG ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.436 at -6.26e+06 assign (resid 87 and name HD2# ) (resid 88 and name HN ) 4.0 2.2 1.5 ! A.972 at 1.90e+07 assign (resid 87 and name HA ) (resid 88 and name HN ) 3.0 1.2 0.5 ! A.332 at 1.02e+08 assign (resid 87 and name HB1 ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.967 at 5.74e+06 assign (resid 87 and name HD1# ) (resid 88 and name HN ) 4.0 2.2 1.5 ! A.144 at 3.28e+07 assign (resid 87 and name HD1# ) (resid 89 and name HN ) 3.0 1.2 1.0 ! A.986 at 3.84e+07 assign (resid 87 and name HD2# ) (resid 89 and name HN ) 4.0 2.2 1.5 ! A.988 at 2.07e+07 assign (resid 87 and name HA ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.163 at 2.28e+07 assign (resid 87 and name HB1 ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.993 at 5.22e+06 assign (resid 87 and name HD1# ) (resid 90 and name HN ) 4.0 2.2 1.5 ! A.26 at 6.39e+06 assign (resid 87 and name HD2# ) (resid 90 and name HN ) 4.0 2.2 1.5 ! A.921 at 7.21e+06 ! I88 assign (resid 88 and name HG11 ) (resid 88 and name HN ) 3.0 1.2 0.5 ! A.970 at 4.53e+07 assign (resid 88 and name HB ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.966 at 1.71e+07 assign (resid 88 and name HG12 ) (resid 88 and name HN ) 3.0 1.2 0.5 ! A.971 at 6.77e+07 assign (resid 88 and name HA ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.161 at 2.51e+07 assign (resid 88 and name HB ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.992 at 1.73e+07 assign (resid 88 and name HG11 ) (resid 89 and name HN ) 3.0 1.2 0.5 ! A.990 at 6.58e+07 assign (resid 88 and name HN ) (resid 89 and name HN ) 2.5 0.7 0.4 ! A.157 at 1.63e+08 assign (resid 88 and name HG12 ) (resid 89 and name HN ) 3.0 1.2 0.5 ! A.989 at 3.43e+07 assign (resid 88 and name HN ) (resid 89 and name HA ) 4.0 2.2 1.0 ! A.963 at 5.82e+06 assign (resid 88 and name HN ) (resid 89 and name HB2 ) 4.0 2.2 1.0 ! A.1613 at 5.06e+06 ! L89 assign (resid 89 and name HB1 ) (resid 89 and name HN ) 3.0 1.2 0.5 ! A.991 at 4.45e+07 assign (resid 89 and name HB2 ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.1615 at 2.57e+07 assign (resid 89 and name HN ) (resid 90 and name HB# ) 4.0 2.2 2.0 ! A.1616 at 2.67e+06 assign (resid 89 and name HN ) (resid 90 and name HN ) 4.0 2.2 1.0 ! A.158 at 6.96e+06 assign (resid 89 and name HB2 ) (resid 90 and name HN ) 4.0 2.2 1.0 ! A.924 at 1.76e+07 assign (resid 89 and name HG ) (resid 90 and name HN ) 3.0 1.2 0.5 ! A.923 at 4.57e+07 assign (resid 89 and name HA ) (resid 90 and name HN ) 2.5 0.7 0.4 ! A.116 at 1.84e+08 assign (resid 89 and name HD1# ) (resid 90 and name HN ) 3.0 1.2 1.0 ! A.922 at 5.10e+07 assign (resid 89 and name HD2# ) (resid 90 and name HN ) 4.0 2.2 1.5 ! A.1619 at 1.52e+07 assign (resid 89 and name HG ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.1004 at 7.84e+06 ! S90 assign (resid 90 and name HB# ) (resid 90 and name HN ) 3.0 1.2 0.5 ! A.313 at 5.06e+07 assign (resid 90 and name HN ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.1016 at 7.42e+06 assign (resid 90 and name HA ) (resid 91 and name HN ) 2.5 0.7 0.4 ! A.115 at 1.72e+08 assign (resid 90 and name HB# ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.1556 at 2.38e+07 assign (resid 90 and name HN ) (resid 91 and name HB ) 4.0 2.2 1.0 ! A.926 at 5.87e+06 ! T91 assign (resid 91 and name HG2# ) (resid 91 and name HN ) 3.0 1.2 1.0 ! A.1005 at 6.79e+07 assign (resid 91 and name HB ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.1558 at 1.80e+07 assign (resid 91 and name HB ) (resid 92 and name HN ) 4.0 2.2 1.0 ! A.258 at 3.19e+07 assign (resid 91 and name HA ) (resid 92 and name HN ) 3.0 1.2 0.5 ! A.122 at 7.31e+07 assign (resid 91 and name HN ) (resid 92 and name HN ) 4.0 2.2 1.0 ! A.741 at 5.06e+06 assign (resid 91 and name HG2# ) (resid 92 and name HN ) 4.0 2.2 1.5 ! A.737 at 2.69e+07 ! S92 assign (resid 92 and name HB1 ) (resid 92 and name HN ) 3.0 1.2 0.5 ! A.259 at 3.42e+07 assign (resid 92 and name HB2 ) (resid 93 and name HN ) 3.0 1.2 0.5 ! A.341 at 4.68e+07 assign (resid 92 and name HA ) (resid 93 and name HN ) 2.5 0.7 0.4 ! A.123 at 1.85e+08 assign (resid 92 and name HN ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.1634 at 7.70e+06 assign (resid 92 and name HN ) (resid 93 and name HG2 ) 4.0 2.2 2.0 ! A.1624 at 4.37e+06 ! Q93 assign (resid 93 and name HB# ) (resid 93 and name HN ) 3.0 1.2 0.5 ! A.982 at 6.51e+07 assign (resid 93 and name HG2 ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.983 at 1.12e+07 assign (resid 93 and name HA ) (resid 93 and name HE22 ) 4.0 2.2 2.0 ! A.1428 at 3.10e+06 assign (resid 93 and name HB# ) (resid 93 and name HE22 ) 4.0 2.2 2.0 ! A.1415 at 3.93e+06 assign (resid 93 and name HG1 ) (resid 93 and name HE21 ) 4.0 2.2 1.0 ! A.1419 at 2.51e+07 assign (resid 93 and name HB# ) (resid 93 and name HE21 ) 4.0 2.2 1.0 ! A.1414 at 8.81e+06 assign (resid 93 and name HG2 ) (resid 93 and name HE21 ) 4.0 2.2 1.0 ! A.1418 at 2.25e+07 assign (resid 93 and name HG1 ) (resid 93 and name HE22 ) 4.0 2.2 1.0 ! A.1421 at 1.36e+07 assign (resid 93 and name HG2 ) (resid 93 and name HE22 ) 4.0 2.2 1.0 ! A.1420 at 1.47e+07 assign (resid 93 and name HA ) (resid 93 and name HE21 ) 4.0 2.2 1.0 ! A.189 at 7.01e+06 assign (resid 93 and name HN ) (resid 94 and name HA ) 4.0 2.2 1.0 ! A.339 at 6.35e+06 assign (resid 93 and name HN ) (resid 94 and name HN ) 4.0 2.2 1.0 ! A.976 at 1.04e+07 assign (resid 93 and name HE22 ) (resid 94 and name HN ) 4.0 2.2 2.0 ! A.1430 at 4.74e+06 assign (resid 93 and name HA ) (resid 94 and name HN ) 2.5 0.7 0.4 ! A.125 at 1.87e+08 assign (resid 93 and name HG# ) (resid 94 and name HN ) 4.0 2.2 1.0 ! A.1635 at 1.67e+07 assign (resid 93 and name HE21 ) (resid 94 and name HN ) 4.0 2.2 1.0 ! A.1431 at 8.17e+06 assign (resid 93 and name HE22 ) (resid 95 and name HG2# ) 4.0 2.2 2.5 ! A.1412 at 4.39e+06 assign (resid 93 and name HE22 ) (resid 95 and name HA ) 4.0 2.2 2.0 ! A.1429 at 2.66e+06 assign (resid 93 and name HE21 ) (resid 95 and name HG2# ) 4.0 2.2 1.5 ! A.1413 at 8.99e+06 ! T94 assign (resid 94 and name HG2# ) (resid 94 and name HN ) 3.0 1.2 1.0 ! A.787 at 5.32e+07 assign (resid 94 and name HB ) (resid 94 and name HN ) 3.0 1.2 0.5 ! A.793 at 4.63e+07 assign (resid 94 and name HB ) (resid 95 and name HN ) 4.0 2.2 1.0 ! A.361 at 2.47e+07 assign (resid 94 and name HA ) (resid 95 and name HN ) 3.0 1.2 0.5 ! A.357 at 1.40e+08 assign (resid 94 and name HG2# ) (resid 95 and name HN ) 4.0 2.2 1.5 ! A.1125 at 3.08e+07 assign (resid 94 and name HN ) (resid 95 and name HN ) 4.0 2.2 1.0 ! A.790 at 1.19e+07 ! T95 assign (resid 95 and name HG2# ) (resid 95 and name HN ) 3.0 1.2 1.0 ! A.1126 at 4.43e+07 !@ END_XPLR_NOE_FILE
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