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 |
|
|
15808 |
1yza   |
6553 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! ! A1 assign (resid 1 and name HA ) (resid 2 and name HN ) 4.5 2.2 2.0 ! A.588 at 4.68e+05 assign (resid 1 and name HA ) (resid 3 and name HN ) 4.5 2.2 2.0 ! A.239 at 3.61e+05 !assign (resid 1 and name HA ) (resid 7 and name HN ) 2.5 0.7 0.4 ! A.668 at 1.49e+07 ! D2 assign (resid 2 and name HN ) (resid 3 and name HN ) 4.5 2.2 2.0 ! A.234 at 8.10e+05 assign (resid 2 and name HB# ) (resid 3 and name HN ) 4.5 2.2 2.5 ! A.240 at 5.70e+05 assign (resid 2 and name HB1 ) (resid 4 and name HN ) 3.5 1.2 0.5 ! A.580 at 4.03e+06 !assign (resid 2 and name HN ) (resid 5 and name HB# ) 4.5 2.2 2.5 ! A.590 at 2.10e+05 !assign (resid 2 and name HN ) (resid 5 and name HN ) 4.5 2.2 2.0 ! A.501 at 2.34e+05 !assign (resid 2 and name HB1 ) (resid 5 and name HN ) 4.5 2.2 2.0 ! A.506 at 8.69e+05 !assign (resid 2 and name HN ) (resid 6 and name HA ) 4.5 2.2 2.0 ! A.587 at 1.38e+05 ! L3 assign (resid 3 and name HG ) (resid 3 and name HN ) 4.0 2.2 1.0 ! A.245 at 1.46e+06 assign (resid 3 and name HB# ) (resid 3 and name HN ) 3.5 1.2 1.0 ! A.244 at 3.43e+06 assign (resid 3 and name HD1# ) (resid 3 and name HN ) 4.5 2.2 2.5 ! A.246 at 5.47e+05 assign (resid 3 and name HG ) (resid 4 and name HN ) 3.5 1.2 0.5 ! A.584 at 2.04e+06 assign (resid 3 and name HB# ) (resid 4 and name HN ) 4.0 2.2 1.5 ! A.583 at 1.79e+06 assign (resid 3 and name HD2# ) (resid 4 and name HN ) 4.0 2.2 1.5 ! A.585 at 1.20e+06 assign (resid 3 and name HN ) (resid 5 and name HB# ) 4.5 2.2 2.5 ! A.241 at 5.57e+05 assign (resid 3 and name HG ) (resid 5 and name HN ) 4.5 2.2 2.0 ! A.511 at 5.72e+05 assign (resid 3 and name HB# ) (resid 5 and name HN ) 4.0 2.2 1.5 ! A.510 at 1.14e+06 assign (resid 3 and name HN ) (resid 5 and name HA ) 4.5 2.2 2.0 ! A.236 at 7.55e+05 !assign (resid 3 and name HN ) (resid 6 and name HA ) 4.5 2.2 2.0 ! A.236 at 7.55e+05 ! E4 assign (resid 4 and name HB# ) (resid 4 and name HN ) 2.5 0.7 0.9 ! A.582 at 1.12e+07 assign (resid 4 and name HG# ) (resid 4 and name HN ) 3.5 1.2 1.0 ! A.581 at 3.71e+06 assign (resid 4 and name HB# ) (resid 5 and name HN ) 4.0 2.2 1.5 ! A.509 at 1.23e+06 assign (resid 4 and name HG# ) (resid 5 and name HN ) 4.5 2.2 2.5 ! A.508 at 9.15e+05 assign (resid 4 and name HA ) (resid 6 and name HD21 ) 4.5 2.2 2.0 ! A.1283 at 3.64e+05 assign (resid 4 and name HA ) (resid 6 and name HD22 ) 4.5 2.2 2.0 ! A.1284 at 5.55e+05 ! D5 assign (resid 5 and name HB# ) (resid 5 and name HN ) 4.5 2.2 2.5 ! A.507 at 2.35e+05 assign (resid 5 and name HN ) (resid 6 and name HD22 ) 4.5 2.2 2.0 ! A.504 at 2.89e+05 assign (resid 5 and name HN ) (resid 6 and name HD21 ) 4.5 2.2 2.0 ! A.1279 at 7.87e+05 assign (resid 5 and name HB# ) (resid 6 and name HD21 ) 4.5 2.2 2.5 ! A.1289 at 5.34e+05 !assign (resid 5 and name HB# ) (resid 8 and name HN ) 4.5 2.2 2.5 ! A.385 at 5.58e+05 ! N6 assign (resid 6 and name HD22 ) (resid 6 and name HN ) 4.5 2.2 2.0 ! A.805 at 1.68e+05 assign (resid 6 and name HA ) (resid 6 and name HD21 ) 4.5 2.2 2.0 ! A.1281 at 3.44e+05 assign (resid 6 and name HA ) (resid 6 and name HD22 ) 4.5 2.2 2.0 ! A.1282 at 3.09e+05 assign (resid 6 and name HN ) (resid 6 and name HD21 ) 4.5 2.2 2.0 ! A.1277 at 4.48e+05 assign (resid 6 and name HB2 ) (resid 6 and name HD22 ) 4.5 2.2 2.0 ! A.1288 at 6.42e+05 assign (resid 6 and name HB2 ) (resid 6 and name HD21 ) 4.5 2.2 2.0 ! A.1287 at 3.44e+05 assign (resid 6 and name HB1 ) (resid 6 and name HD21 ) 4.5 2.2 2.0 ! A.1285 at 2.23e+05 assign (resid 6 and name HB1 ) (resid 6 and name HD22 ) 4.5 2.2 2.0 ! A.1286 at 3.61e+05 assign (resid 6 and name HB# ) (resid 6 and name HN ) 3.5 1.2 1.0 ! A.809 at 3.19e+06 assign (resid 6 and name HD22 ) (resid 7 and name HN ) 4.5 2.2 2.0 ! A.611 at 2.30e+05 assign (resid 6 and name HN ) (resid 8 and name HA ) 4.0 2.2 1.0 ! A.808 at 1.45e+06 ! D7 assign (resid 7 and name HB# ) (resid 7 and name HN ) 3.5 1.2 1.0 ! A.613 at 2.15e+06 ! E8 assign (resid 8 and name HB# ) (resid 8 and name HN ) 3.5 1.2 1.0 ! A.387 at 3.76e+06 assign (resid 8 and name HG# ) (resid 8 and name HN ) 4.0 2.2 1.5 ! A.386 at 1.27e+06 assign (resid 8 and name HA ) (resid 9 and name HN ) 3.5 1.2 0.5 ! A.1310 at 4.60e+06 assign (resid 8 and name HG# ) (resid 9 and name HN ) 4.5 2.2 2.5 ! A.1312 at 4.64e+05 assign (resid 8 and name HB# ) (resid 9 and name HN ) 4.0 2.2 1.5 ! A.1313 at 1.18e+06 ! T9 assign (resid 9 and name HG2# ) (resid 9 and name HN ) 3.5 1.2 1.0 ! A.1314 at 2.35e+06 assign (resid 9 and name HG2# ) (resid 10 and name HN ) 4.0 2.2 1.5 ! A.1471 at 1.35e+06 assign (resid 9 and name HA ) (resid 10 and name HN ) 3.5 1.2 0.5 ! A.1469 at 4.59e+06 assign (resid 9 and name HA ) (resid 11 and name HN ) 4.5 2.2 2.0 ! A.949 at 5.31e+05 assign (resid 9 and name HG2# ) (resid 11 and name HN ) 4.5 2.2 2.5 ! A.951 at 2.29e+05 assign (resid 9 and name HN ) (resid 11 and name HN ) 2.5 0.7 0.4 ! A.944 at 5.57e+06 ! G10 assign (resid 10 and name HN ) (resid 11 and name HA ) 4.5 2.2 2.0 ! A.1468 at 1.66e+05 assign (resid 10 and name HN ) (resid 11 and name HB# ) 4.5 2.2 2.5 ! A.1470 at 5.49e+05 ! N11 assign (resid 11 and name HB# ) (resid 11 and name HN ) 3.5 1.2 1.0 ! A.950 at 2.99e+06 assign (resid 11 and name HD22 ) (resid 11 and name HN ) 4.5 2.2 2.0 ! A.946 at 2.93e+05 assign (resid 11 and name HD21 ) (resid 11 and name HN ) 4.5 2.2 2.0 ! A.945 at 3.13e+05 assign (resid 11 and name HB# ) (resid 11 and name HD21 ) 4.5 2.2 2.5 ! A.1368 at 2.75e+05 assign (resid 11 and name HB# ) (resid 11 and name HD22 ) 4.5 2.2 2.5 ! A.1369 at 3.86e+05 assign (resid 11 and name HA ) (resid 11 and name HD21 ) 4.5 2.2 2.0 ! A.1367 at 2.39e+05 assign (resid 11 and name HN ) (resid 12 and name HN ) 4.5 2.2 2.0 ! A.609 at 9.27e+05 ! D12 assign (resid 12 and name HB# ) (resid 12 and name HN ) 3.5 1.2 1.0 ! A.613 at 2.15e+06 assign (resid 12 and name HA ) (resid 13 and name HN ) 3.5 1.2 0.5 ! A.856 at 2.84e+06 ! N13 assign (resid 13 and name HB# ) (resid 13 and name HD21 ) 2.5 0.7 0.9 ! A.1370 at 8.13e+06 assign (resid 13 and name HB# ) (resid 13 and name HD22 ) 2.5 0.7 0.9 ! A.1371 at 5.44e+06 assign (resid 13 and name HB# ) (resid 13 and name HN ) 3.5 1.2 1.0 ! A.719 at 3.59e+06 assign (resid 13 and name HB# ) (resid 14 and name HN ) 4.5 2.2 2.5 ! A.1492 at 8.71e+05 assign (resid 13 and name HN ) (resid 14 and name HN ) 2.5 0.7 0.4 ! A.1486 at 2.24e+08 assign (resid 13 and name HA ) (resid 14 and name HN ) 3.5 1.2 0.5 ! A.1489 at 2.54e+06 assign (resid 13 and name HD22 ) (resid 14 and name HN ) 4.5 2.2 2.0 ! A.1488 at 2.48e+05 assign (resid 13 and name HD21 ) (resid 14 and name HN ) 4.5 2.2 2.0 ! A.1487 at 4.37e+05 ! G14 assign (resid 14 and name HN ) (resid 15 and name HE1 ) 4.5 2.2 2.0 ! A.1491 at 3.87e+05 assign (resid 14 and name HN ) (resid 15 and name HD# ) 4.5 2.2 2.5 ! A.1493 at 2.30e+05 assign (resid 14 and name HN ) (resid 15 and name HA ) 4.5 2.2 2.0 ! A.1490 at 2.73e+05 ! K15 assign (resid 15 and name HB# ) (resid 15 and name HN ) 2.5 0.7 0.9 ! A.685 at 5.09e+06 assign (resid 15 and name HN ) (resid 16 and name HN ) 3.5 1.2 0.5 ! A.1473 at 2.22e+06 assign (resid 15 and name HG# ) (resid 16 and name HN ) 4.0 2.2 1.5 ! A.1478 at 1.25e+06 assign (resid 15 and name HB# ) (resid 16 and name HN ) 4.0 2.2 1.5 ! A.1476 at 1.21e+06 assign (resid 15 and name HA ) (resid 16 and name HN ) 3.5 1.2 0.5 ! A.1474 at 4.07e+06 assign (resid 15 and name HD# ) (resid 16 and name HN ) 4.5 2.2 2.5 ! A.1477 at 1.58e+05 assign (resid 15 and name HG# ) (resid 17 and name HN ) 4.0 2.2 1.5 ! A.1485 at 1.12e+06 assign (resid 15 and name HN ) (resid 17 and name HN ) 4.5 2.2 2.0 ! A.683 at 1.08e+06 assign (resid 15 and name HA ) (resid 17 and name HN ) 4.5 2.2 2.0 ! A.1482 at 1.98e+05 assign (resid 15 and name HB# ) (resid 17 and name HN ) 4.5 2.2 2.5 ! A.1484 at 7.90e+05 !assign (resid 15 and name HG# ) (resid 18 and name HN ) 2.5 0.7 0.9 ! A.622 at 8.66e+06 !assign (resid 15 and name HB# ) (resid 18 and name HN ) 4.0 2.2 1.5 ! A.621 at 1.80e+06 ! G16 assign (resid 16 and name HN ) (resid 17 and name HN ) 3.5 1.2 0.5 ! A.1472 at 2.73e+06 assign (resid 16 and name HN ) (resid 18 and name HB# ) 4.5 2.2 2.5 ! A.1475 at 3.60e+05 ! G17 assign (resid 17 and name HN ) (resid 18 and name HN ) 2.5 0.7 0.4 ! A.1479 at 2.39e+08 assign (resid 17 and name HN ) (resid 18 and name HA ) 4.5 2.2 2.0 ! A.1481 at 2.28e+05 assign (resid 17 and name HN ) (resid 18 and name HB# ) 4.5 2.2 2.5 ! A.1483 at 4.78e+05 ! E18 assign (resid 18 and name HA ) (resid 19 and name HN ) 4.0 2.2 1.0 ! A.236 at 1.55e+06 assign (resid 18 and name HG# ) (resid 19 and name HN ) 4.5 2.2 2.5 ! A.242 at 1.07e+06 assign (resid 18 and name HB# ) (resid 19 and name HN ) 3.5 1.2 1.0 ! A.243 at 2.59e+06 ! K19 assign (resid 19 and name HB1 ) (resid 19 and name HN ) 3.5 0.7 0.4 ! A.268 at 4.15e+06 assign (resid 19 and name HG1 ) (resid 19 and name HN ) 4.5 2.2 2.0 ! A.269 at 4.31e+05 assign (resid 19 and name HE1 ) (resid 19 and name HN ) 4.5 2.2 2.0 ! A.266 at 3.70e+05 assign (resid 19 and name HB1 ) (resid 20 and name HN ) 3.5 1.2 0.5 ! A.49 at 4.00e+06 assign (resid 19 and name HG1 ) (resid 25 and name HE21 ) 4.5 2.2 2.0 ! A.1402 at 7.88e+05 ! A20 assign (resid 20 and name HB# ) (resid 20 and name HN ) 2.5 0.7 0.9 ! A.52 at 1.94e+07 assign (resid 20 and name HN ) (resid 21 and name HA ) 4.5 2.2 2.0 ! A.45 at 5.00e+05 assign (resid 20 and name HA ) (resid 21 and name HN ) 3.0 0.7 0.6 ! A.730 at 2.33e+07 assign (resid 20 and name HB# ) (resid 21 and name HN ) 2.5 2.2 2.5 ! A.737 at 7.98e+05 assign (resid 20 and name HB# ) (resid 22 and name HN ) 4.5 2.2 2.5 ! A.724 at 2.21e+05 assign (resid 20 and name HN ) (resid 25 and name HA ) 4.5 2.2 2.0 ! A.47 at 2.97e+05 assign (resid 20 and name HB# ) (resid 25 and name HN ) 4.5 2.2 2.5 ! A.1059 at 1.27e+05 assign (resid 20 and name HA ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.1051 at 2.43e+05 assign (resid 20 and name HA ) (resid 25 and name HE21 ) 4.5 2.2 2.0 ! A.1394 at 3.51e+05 ! D21 assign (resid 21 and name HB# ) (resid 21 and name HN ) 4.5 2.2 2.5 ! A.733 at 7.59e+05 assign (resid 21 and name HN ) (resid 22 and name HN ) 2.5 0.7 0.4 ! A.726 at 5.61e+06 assign (resid 21 and name HN ) (resid 23 and name HN ) 4.5 2.2 2.0 ! A.209 at 8.96e+05 assign (resid 21 and name HN ) (resid 24 and name HB# ) 4.5 2.2 2.5 ! A.736 at 3.20e+05 assign (resid 21 and name HN ) (resid 24 and name HA ) 4.5 2.2 2.0 ! A.732 at 5.92e+05 assign (resid 21 and name HN ) (resid 24 and name HN ) 3.5 1.2 0.5 ! A.727 at 2.38e+06 assign (resid 21 and name HN ) (resid 25 and name HB# ) 4.5 2.2 2.5 ! A.735 at 4.05e+05 assign (resid 21 and name HN ) (resid 25 and name HE22 ) 4.5 2.2 2.0 ! A.729 at 2.82e+05 assign (resid 21 and name HN ) (resid 25 and name HE21 ) 4.5 2.2 2.0 ! A.728 at 4.05e+05 assign (resid 21 and name HN ) (resid 25 and name HA ) 4.5 2.2 2.0 ! A.731 at 4.62e+05 assign (resid 21 and name HN ) (resid 25 and name HG# ) 4.5 2.2 2.5 ! A.734 at 1.87e+05 assign (resid 21 and name HB# ) (resid 25 and name HE21 ) 3.5 1.2 1.0 ! A.1397 at 3.76e+06 assign (resid 21 and name HN ) (resid 26 and name HN ) 4.5 2.2 1.0 ! A.352 at 1.39e+06 ! N22 assign (resid 22 and name HD21 ) (resid 22 and name HN ) 4.5 2.2 2.0 ! A.715 at 5.31e+05 assign (resid 22 and name HB1 ) (resid 22 and name HN ) 4.5 2.2 2.0 ! A.721 at 2.23e+05 assign (resid 22 and name HB2 ) (resid 22 and name HD22 ) 3.5 1.2 0.5 ! A.1384 at 3.92e+06 assign (resid 22 and name HA ) (resid 22 and name HD22 ) 4.5 2.2 2.0 ! A.1380 at 7.47e+05 assign (resid 22 and name HA ) (resid 22 and name HD21 ) 4.5 2.2 2.0 ! A.1379 at 4.53e+05 assign (resid 22 and name HB2 ) (resid 22 and name HD21 ) 4.5 2.2 2.0 ! A.1383 at 4.45e+05 assign (resid 22 and name HN ) (resid 22 and name HD22 ) 4.5 2.2 2.0 ! A.1375 at 3.78e+05 assign (resid 22 and name HB1 ) (resid 22 and name HD21 ) 4.5 2.2 2.0 ! A.1385 at 2.96e+05 assign (resid 22 and name HD22 ) (resid 23 and name HN ) 4.5 2.2 2.0 ! A.213 at 3.61e+05 assign (resid 22 and name HB2 ) (resid 23 and name HN ) 2.5 0.7 0.4 ! A.218 at 5.86e+06 assign (resid 22 and name HD21 ) (resid 23 and name HN ) 4.5 2.2 2.0 ! A.212 at 5.90e+05 assign (resid 22 and name HD21 ) (resid 23 and name HB# ) 4.5 2.2 2.5 ! A.1388 at 7.22e+05 assign (resid 22 and name HD22 ) (resid 23 and name HB# ) 4.0 2.2 1.5 ! A.1389 at 1.53e+06 assign (resid 22 and name HD22 ) (resid 23 and name HA ) 4.5 2.2 2.0 ! A.1382 at 2.07e+05 assign (resid 22 and name HD21 ) (resid 23 and name HA ) 4.5 2.2 2.0 ! A.1381 at 4.87e+05 assign (resid 22 and name HA ) (resid 23 and name HN ) 3.5 1.2 0.5 ! A.214 at 3.86e+06 assign (resid 22 and name HN ) (resid 23 and name HB# ) 3.5 1.2 1.0 ! A.723 at 2.10e+06 assign (resid 22 and name HN ) (resid 23 and name HA ) 4.5 2.2 2.0 ! A.718 at 3.39e+05 assign (resid 22 and name HB1 ) (resid 24 and name HN ) 4.5 2.2 2.0 ! A.647 at 2.97e+05 assign (resid 22 and name HD22 ) (resid 24 and name HN ) 4.5 2.2 2.0 ! A.1376 at 3.06e+05 assign (resid 22 and name HA ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.646 at 1.30e+06 assign (resid 22 and name HN ) (resid 25 and name HB# ) 3.5 1.2 1.0 ! A.722 at 2.30e+06 assign (resid 22 and name HB2 ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.1053 at 9.29e+05 assign (resid 22 and name HA ) (resid 25 and name HN ) 4.0 2.2 1.0 ! A.1050 at 1.55e+06 assign (resid 22 and name HB1 ) (resid 26 and name HN ) 4.5 2.2 2.0 ! A.360 at 5.86e+05 assign (resid 22 and name HB2 ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.660 at 3.37e+05 assign (resid 22 and name HN ) (resid 84 and name HG1# ) 4.5 2.2 2.5 ! A.725 at 7.58e+05 assign (resid 22 and name HD21 ) (resid 84 and name HB ) 4.5 2.2 2.0 ! A.1386 at 7.83e+05 assign (resid 22 and name HD22 ) (resid 84 and name HB ) 4.5 2.2 2.0 ! A.1387 at 3.18e+05 assign (resid 22 and name HD21 ) (resid 84 and name HG2# ) 3.5 1.2 1.0 ! A.1390 at 1.98e+06 assign (resid 22 and name HD22 ) (resid 84 and name HG2# ) 3.5 1.2 1.0 ! A.1391 at 1.92e+06 ! A23 assign (resid 23 and name HB# ) (resid 23 and name HN ) 2.5 0.7 0.9 ! A.220 at 2.38e+07 assign (resid 23 and name HN ) (resid 24 and name HA ) 4.5 2.2 2.0 ! A.217 at 3.96e+05 assign (resid 23 and name HN ) (resid 24 and name HN ) 2.5 0.7 0.4 ! A.598 at 8.04e+06 assign (resid 23 and name HN ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.210 at 8.57e+05 assign (resid 23 and name HB# ) (resid 25 and name HN ) 4.0 2.2 1.5 ! A.1058 at 1.32e+06 assign (resid 23 and name HB# ) (resid 26 and name HN ) 4.5 2.2 2.5 ! A.365 at 8.49e+05 assign (resid 23 and name HN ) (resid 84 and name HG1# ) 4.5 2.2 2.5 ! A.221 at 7.84e+05 assign (resid 23 and name HN ) (resid 84 and name HG2# ) 4.5 2.2 2.5 ! A.222 at 3.81e+05 ! A24 assign (resid 24 and name HB# ) (resid 24 and name HN ) 2.5 0.7 0.9 ! A.607 at 4.52e+07 assign (resid 24 and name HB# ) (resid 25 and name HN ) 2.5 0.7 0.9 ! A.1058 at 6.32e+06 assign (resid 24 and name HB# ) (resid 26 and name HN ) 4.0 2.2 1.5 ! A.365 at 1.39e+06 assign (resid 24 and name HA ) (resid 27 and name HN ) 3.5 1.2 0.5 ! A.487 at 3.00e+06 ! Q25 assign (resid 25 and name HG# ) (resid 25 and name HN ) 4.5 2.2 2.5 ! A.1055 at 7.54e+05 assign (resid 25 and name HB# ) (resid 25 and name HN ) 2.5 0.7 0.9 ! A.1056 at 2.22e+07 assign (resid 25 and name HE21 ) (resid 25 and name HN ) 4.5 2.2 2.0 ! A.1049 at 1.92e+05 assign (resid 25 and name HA ) (resid 25 and name HE21 ) 4.5 2.2 2.0 ! A.1395 at 7.24e+05 assign (resid 25 and name HG# ) (resid 25 and name HE22 ) 3.5 1.2 1.0 ! A.1399 at 2.57e+06 assign (resid 25 and name HB# ) (resid 25 and name HE21 ) 4.5 2.2 2.5 ! A.1400 at 3.20e+05 assign (resid 25 and name HE21 ) (resid 26 and name HN ) 4.5 2.2 2.0 ! A.355 at 3.40e+05 assign (resid 25 and name HG# ) (resid 26 and name HN ) 4.5 2.2 2.5 ! A.361 at 3.09e+05 assign (resid 25 and name HN ) (resid 26 and name HG2# ) 4.5 2.2 2.5 ! A.1061 at 3.46e+05 assign (resid 25 and name HN ) (resid 27 and name HB# ) 4.5 2.2 2.5 ! A.1057 at 2.06e+05 ! V26 assign (resid 26 and name HB ) (resid 26 and name HN ) 2.5 0.7 0.4 ! A.363 at 2.27e+07 assign (resid 26 and name HG1# ) (resid 26 and name HN ) 4.0 2.2 1.5 ! A.367 at 1.40e+06 assign (resid 26 and name HG2# ) (resid 26 and name HN ) 4.5 2.2 2.5 ! A.368 at 5.57e+05 assign (resid 26 and name HN ) (resid 27 and name HA ) 4.5 2.2 2.0 ! A.358 at 2.03e+05 assign (resid 26 and name HA ) (resid 27 and name HN ) 3.5 1.2 0.5 ! A.487 at 2.40e+06 assign (resid 26 and name HG1# ) (resid 27 and name HN ) 3.5 1.2 1.0 ! A.499 at 2.92e+06 assign (resid 26 and name HG2# ) (resid 27 and name HN ) 4.5 2.2 2.5 ! A.500 at 9.41e+05 assign (resid 26 and name HN ) (resid 29 and name HB# ) 4.0 2.2 1.5 ! A.365 at 1.49e+06 assign (resid 26 and name HG1# ) (resid 29 and name HN ) 3.5 1.2 1.0 ! A.461 at 3.73e+06 assign (resid 26 and name HG2# ) (resid 88 and name HN ) 4.5 2.2 2.5 ! A.968 at 2.95e+05 ! K27 assign (resid 27 and name HG# ) (resid 27 and name HN ) 2.5 0.7 0.9 ! A.498 at 7.35e+06 assign (resid 27 and name HB# ) (resid 27 and name HN ) 2.5 0.7 0.9 ! A.497 at 9.97e+06 assign (resid 27 and name HD# ) (resid 28 and name HN ) 4.5 2.2 2.5 ! A.492 at 4.73e+05 assign (resid 27 and name HB# ) (resid 30 and name HN ) 3.5 1.2 1.0 ! A.896 at 2.42e+06 assign (resid 27 and name HA ) (resid 30 and name HN ) 3.5 1.2 0.5 ! A.893 at 2.19e+06 assign (resid 27 and name HN ) (resid 31 and name HG2# ) 4.5 2.2 2.5 ! A.494 at 7.56e+05 ! D28 assign (resid 28 and name HB# ) (resid 29 and name HN ) 2.5 0.7 0.9 ! A.346 at 1.01e+07 assign (resid 28 and name HN ) (resid 29 and name HN ) 2.5 0.7 0.4 ! A.338 at 9.78e+06 assign (resid 28 and name HA ) (resid 29 and name HN ) 3.5 1.2 0.5 ! A.452 at 4.19e+06 assign (resid 28 and name HB# ) (resid 30 and name HN ) 4.5 2.2 2.5 ! A.894 at 1.92e+05 assign (resid 28 and name HA ) (resid 30 and name HN ) 4.5 2.2 2.0 ! A.891 at 3.23e+05 assign (resid 28 and name HB# ) (resid 31 and name HN ) 4.5 2.2 2.5 ! A.1097 at 3.94e+05 assign (resid 28 and name HB# ) (resid 32 and name HN ) 4.5 2.2 2.5 ! A.178 at 6.57e+05 assign (resid 28 and name HA ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.174 at 1.44e+06 ! A29 assign (resid 29 and name HB# ) (resid 29 and name HN ) 2.5 0.7 0.9 ! A.459 at 4.35e+07 assign (resid 29 and name HN ) (resid 30 and name HN ) 2.5 0.7 0.4 ! A.855 at 5.71e+06 assign (resid 29 and name HN ) (resid 32 and name HN ) 4.5 2.2 2.0 ! A.172 at 8.13e+05 ! L30 assign (resid 30 and name HD2# ) (resid 30 and name HN ) 3.5 1.2 1.0 ! A.901 at 4.16e+06 assign (resid 30 and name HD1# ) (resid 30 and name HN ) 2.5 0.7 0.9 ! A.900 at 8.40e+06 assign (resid 30 and name HG ) (resid 30 and name HN ) 3.5 1.2 0.5 ! A.897 at 4.00e+06 assign (resid 30 and name HB# ) (resid 30 and name HN ) 2.5 0.7 0.9 ! A.895 at 7.78e+06 assign (resid 30 and name HN ) (resid 31 and name HG2# ) 2.5 0.7 0.9 ! A.898 at 5.26e+06 assign (resid 30 and name HG ) (resid 31 and name HN ) 4.0 2.2 1.0 ! A.1099 at 1.35e+06 assign (resid 30 and name HN ) (resid 31 and name HN ) 3.5 1.2 0.5 ! A.1091 at 3.88e+06 assign (resid 30 and name HD1# ) (resid 31 and name HN ) 4.0 2.2 1.5 ! A.1026 at 1.49e+06 assign (resid 30 and name HB# ) (resid 31 and name HN ) 3.5 1.2 1.0 ! A.1022 at 2.89e+06 assign (resid 30 and name HA ) (resid 31 and name HN ) 4.0 2.2 1.0 ! A.1095 at 1.57e+06 assign (resid 30 and name HD2# ) (resid 75 and name HN ) 4.5 2.2 2.5 ! A.73 at 5.41e+05 assign (resid 30 and name HA ) (resid 76 and name HN ) 4.5 2.2 2.0 ! A.544 at 7.14e+05 ! T31 assign (resid 31 and name HG2# ) (resid 32 and name HN ) 3.5 1.2 1.0 ! A.184 at 2.90e+06 assign (resid 31 and name HA ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.177 at 1.43e+06 assign (resid 31 and name HB ) (resid 32 and name HN ) 3.5 1.2 0.5 ! A.174 at 3.04e+06 assign (resid 31 and name HN ) (resid 32 and name HN ) 2.5 0.7 0.4 ! A.1092 at 6.56e+06 assign (resid 31 and name HN ) (resid 32 and name HB# ) 3.5 1.2 1.0 ! A.1024 at 1.82e+06 assign (resid 31 and name HG2# ) (resid 34 and name HN ) 4.5 2.2 2.5 ! A.332 at 8.85e+05 assign (resid 31 and name HN ) (resid 34 and name HB1 ) 4.5 2.2 2.0 ! A.1098 at 4.50e+05 assign (resid 31 and name HN ) (resid 35 and name HN ) 4.5 2.2 2.0 ! A.1093 at 3.26e+05 assign (resid 31 and name HN ) (resid 72 and name HG2# ) 4.0 2.2 1.5 ! A.1100 at 1.11e+06 ! K32 assign (resid 32 and name HG# ) (resid 32 and name HN ) 4.0 2.2 1.5 ! A.183 at 1.28e+06 assign (resid 32 and name HD# ) (resid 32 and name HN ) 4.0 2.2 1.5 ! A.181 at 1.56e+06 assign (resid 32 and name HB# ) (resid 32 and name HN ) 2.5 0.7 0.9 ! A.179 at 1.39e+07 assign (resid 32 and name HN ) (resid 33 and name HN ) 2.5 0.7 0.4 ! A.171 at 4.38e+07 assign (resid 32 and name HN ) (resid 35 and name HN ) 4.5 2.2 2.0 ! A.846 at 2.82e+05 assign (resid 32 and name HB1 ) (resid 35 and name HN ) 4.5 2.2 2.0 ! A.851 at 4.46e+05 assign (resid 32 and name HB1 ) (resid 36 and name HN ) 4.5 2.2 2.0 ! A.800 at 1.27e+05 assign (resid 32 and name HE1 ) (resid 36 and name HN ) 4.5 2.2 2.0 ! A.798 at 1.96e+05 ! M33 assign (resid 33 and name HB# ) (resid 33 and name HN ) 2.5 0.7 0.9 ! A.595 at 9.57e+06 assign (resid 33 and name HG1 ) (resid 33 and name HN ) 2.5 0.7 0.4 ! A.489 at 5.91e+06 assign (resid 33 and name HN ) (resid 34 and name HA ) 4.5 2.2 2.0 ! A.594 at 1.63e+05 assign (resid 33 and name HN ) (resid 34 and name HN ) 3.5 1.2 0.5 ! A.482 at 4.42e+06 assign (resid 33 and name HN ) (resid 35 and name HN ) 4.5 2.2 2.0 ! A.591 at 6.86e+05 assign (resid 33 and name HN ) (resid 36 and name HN ) 4.5 2.2 2.0 ! A.789 at 1.05e+06 assign (resid 33 and name HB# ) (resid 37 and name HN ) 4.5 2.2 2.5 ! A.144 at 3.34e+05 assign (resid 33 and name HA ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.140 at 1.11e+06 ! R34 assign (resid 34 and name HD1 ) (resid 34 and name HN ) 4.5 2.2 2.0 ! A.324 at 2.67e+05 assign (resid 34 and name HB1 ) (resid 34 and name HN ) 2.5 0.7 0.4 ! A.328 at 1.38e+07 assign (resid 34 and name HG1 ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.329 at 1.24e+06 assign (resid 34 and name HN ) (resid 35 and name HN ) 3.5 1.2 0.5 ! A.845 at 4.73e+06 assign (resid 34 and name HD1 ) (resid 35 and name HN ) 4.5 2.2 2.0 ! A.849 at 2.36e+05 assign (resid 34 and name HA ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.848 at 1.14e+06 assign (resid 34 and name HB1 ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.850 at 1.37e+06 assign (resid 34 and name HA ) (resid 36 and name HN ) 4.5 2.2 2.0 ! A.797 at 3.53e+05 assign (resid 34 and name HB1 ) (resid 37 and name HN ) 4.5 2.2 2.0 ! A.145 at 3.49e+05 assign (resid 34 and name HN ) (resid 37 and name HN ) 4.5 2.2 2.0 ! A.134 at 1.10e+06 assign (resid 34 and name HA ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.142 at 1.42e+06 assign (resid 34 and name HG1 ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.1086 at 1.33e+06 assign (resid 34 and name HN ) (resid 72 and name HG11 ) 3.5 1.2 0.5 ! A.333 at 1.92e+06 assign (resid 34 and name HN ) (resid 72 and name HG2# ) 4.5 2.2 2.5 ! A.334 at 1.02e+06 assign (resid 34 and name HN ) (resid 72 and name HB ) 4.0 2.2 1.0 ! A.326 at 1.47e+06 ! A35 assign (resid 35 and name HB# ) (resid 35 and name HN ) 2.5 0.7 0.9 ! A.852 at 2.45e+07 assign (resid 35 and name HA ) (resid 36 and name HN ) 4.5 2.2 2.0 ! A.795 at 4.77e+05 assign (resid 35 and name HN ) (resid 36 and name HN ) 2.5 0.7 0.4 ! A.833 at 6.25e+06 assign (resid 35 and name HN ) (resid 37 and name HN ) 4.5 2.2 2.0 ! A.136 at 8.94e+05 assign (resid 35 and name HA ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.140 at 1.11e+06 assign (resid 35 and name HN ) (resid 38 and name HD1# ) 4.5 2.2 2.5 ! A.853 at 3.51e+05 assign (resid 35 and name HA ) (resid 38 and name HN ) 3.5 1.2 0.5 ! A.1080 at 2.81e+06 assign (resid 35 and name HA ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.867 at 1.67e+06 ! A36 assign (resid 36 and name HB# ) (resid 36 and name HN ) 2.5 0.7 0.9 ! A.802 at 3.28e+07 assign (resid 36 and name HA ) (resid 37 and name HN ) 3.5 1.2 0.5 ! A.139 at 2.38e+06 assign (resid 36 and name HN ) (resid 37 and name HB# ) 4.0 2.2 1.5 ! A.803 at 1.68e+06 assign (resid 36 and name HN ) (resid 37 and name HA ) 4.5 2.2 2.0 ! A.796 at 3.86e+05 assign (resid 36 and name HN ) (resid 37 and name HN ) 2.5 0.7 0.4 ! A.788 at 9.11e+06 assign (resid 36 and name HN ) (resid 38 and name HN ) 3.5 0.7 0.4 ! A.790 at 3.06e+06 assign (resid 36 and name HA ) (resid 39 and name HN ) 3.5 1.2 0.5 ! A.866 at 3.99e+06 assign (resid 36 and name HB# ) (resid 40 and name HN ) 4.5 2.2 2.5 ! A.166 at 3.10e+05 ! A37 assign (resid 37 and name HB# ) (resid 37 and name HN ) 2.5 0.7 0.9 ! A.147 at 1.84e+07 assign (resid 37 and name HN ) (resid 38 and name HD1# ) 4.5 2.2 2.5 ! A.148 at 8.92e+05 assign (resid 37 and name HN ) (resid 38 and name HN ) 2.5 0.7 0.4 ! A.1073 at 5.37e+06 assign (resid 37 and name HN ) (resid 38 and name HB# ) 4.5 2.2 2.5 ! A.146 at 5.50e+05 assign (resid 37 and name HN ) (resid 39 and name HN ) 4.5 2.2 2.0 ! A.861 at 3.41e+05 assign (resid 37 and name HB# ) (resid 39 and name HN ) 4.5 2.2 2.5 ! A.873 at 9.96e+05 assign (resid 37 and name HA ) (resid 40 and name HN ) 3.5 1.2 0.5 ! A.159 at 2.57e+06 assign (resid 37 and name HN ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.150 at 3.35e+05 assign (resid 37 and name HN ) (resid 41 and name HN ) 4.5 2.2 2.0 ! A.138 at 2.17e+05 assign (resid 37 and name HN ) (resid 68 and name HB# ) 4.5 2.2 2.5 ! A.146 at 5.50e+05 assign (resid 37 and name HB# ) (resid 69 and name HN ) 4.5 2.2 2.5 ! A.752 at 7.73e+05 ! L38 assign (resid 38 and name HG ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.1089 at 1.24e+06 assign (resid 38 and name HB# ) (resid 38 and name HN ) 4.5 2.2 2.5 ! A.1087 at 5.20e+05 assign (resid 38 and name HD1# ) (resid 38 and name HN ) 3.5 1.2 1.0 ! A.1090 at 1.81e+06 assign (resid 38 and name HN ) (resid 39 and name HB2 ) 4.5 2.2 2.0 ! A.1084 at 3.77e+05 assign (resid 38 and name HN ) (resid 39 and name HB1 ) 4.5 2.2 2.0 ! A.1083 at 6.12e+05 assign (resid 38 and name HG ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.873 at 1.46e+06 assign (resid 38 and name HA ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.868 at 1.77e+06 assign (resid 38 and name HD1# ) (resid 39 and name HN ) 3.5 1.2 1.0 ! A.875 at 2.41e+06 assign (resid 38 and name HB# ) (resid 40 and name HN ) 4.5 2.2 2.5 ! A.165 at 2.21e+05 assign (resid 38 and name HA ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.160 at 2.34e+05 assign (resid 38 and name HN ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.1076 at 3.75e+05 assign (resid 38 and name HA ) (resid 41 and name HE21 ) 4.5 2.2 2.0 ! A.1406 at 1.67e+05 assign (resid 38 and name HG ) (resid 41 and name HE21 ) 4.5 2.2 2.0 ! A.1417 at 3.18e+05 assign (resid 38 and name HN ) (resid 41 and name HN ) 4.5 2.2 2.0 ! A.1077 at 2.61e+05 assign (resid 38 and name HA ) (resid 41 and name HN ) 3.5 1.2 0.5 ! A.1222 at 3.10e+06 ! D39 assign (resid 39 and name HB1 ) (resid 39 and name HN ) 2.5 0.7 0.4 ! A.869 at 1.23e+07 assign (resid 39 and name HB2 ) (resid 39 and name HN ) 4.5 2.2 2.0 ! A.870 at 5.43e+05 assign (resid 39 and name HB2 ) (resid 40 and name HN ) 4.5 2.2 2.0 ! A.163 at 4.14e+05 assign (resid 39 and name HB1 ) (resid 40 and name HN ) 2.5 0.7 0.4 ! A.162 at 5.75e+06 assign (resid 39 and name HA ) (resid 40 and name HN ) 3.5 1.2 0.5 ! A.156 at 1.97e+06 assign (resid 39 and name HN ) (resid 40 and name HB# ) 4.5 2.2 2.5 ! A.874 at 2.56e+05 assign (resid 39 and name HN ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.863 at 1.16e+06 assign (resid 39 and name HN ) (resid 41 and name HB1 ) 4.5 2.2 2.0 ! A.871 at 5.63e+05 assign (resid 39 and name HA ) (resid 41 and name HN ) 4.5 2.2 2.0 ! A.1220 at 4.72e+05 assign (resid 39 and name HN ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.864 at 2.63e+05 assign (resid 39 and name HB1 ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.1299 at 7.85e+05 assign (resid 39 and name HB2 ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.105 at 3.34e+05 assign (resid 39 and name HN ) (resid 43 and name HB# ) 4.5 2.2 2.5 ! A.873 at 9.96e+05 assign (resid 39 and name HB1 ) (resid 44 and name HN ) 4.5 2.2 2.0 ! A.1177 at 3.19e+05 ! A40 assign (resid 40 and name HB# ) (resid 40 and name HN ) 2.5 0.7 0.9 ! A.168 at 2.02e+07 assign (resid 40 and name HN ) (resid 41 and name HN ) 2.5 0.7 0.4 ! A.1217 at 7.48e+06 assign (resid 40 and name HN ) (resid 41 and name HA ) 4.5 2.2 2.0 ! A.161 at 2.64e+05 assign (resid 40 and name HA ) (resid 41 and name HN ) 3.5 1.2 0.5 ! A.1221 at 1.83e+06 assign (resid 40 and name HN ) (resid 41 and name HB1 ) 4.5 2.2 2.0 ! A.164 at 7.29e+05 assign (resid 40 and name HB# ) (resid 41 and name HN ) 2.5 0.7 0.9 ! A.1231 at 7.84e+06 assign (resid 40 and name HN ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.155 at 4.04e+05 assign (resid 40 and name HB# ) (resid 42 and name HN ) 4.5 2.2 2.5 ! A.1307 at 4.22e+05 assign (resid 40 and name HA ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.1295 at 4.83e+05 assign (resid 40 and name HA ) (resid 43 and name HN ) 3.5 1.2 0.5 ! A.101 at 2.77e+06 assign (resid 40 and name HN ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.95 at 6.96e+05 assign (resid 40 and name HB# ) (resid 43 and name HN ) 4.5 2.2 2.5 ! A.113 at 3.36e+05 assign (resid 40 and name HN ) (resid 44 and name HG2# ) 4.5 2.2 2.5 ! A.169 at 2.94e+05 assign (resid 40 and name HN ) (resid 44 and name HN ) 4.5 2.2 2.0 ! A.1167 at 4.81e+05 ! Q41 assign (resid 41 and name HB2 ) (resid 41 and name HN ) 3.5 1.2 0.5 ! A.1230 at 4.12e+06 assign (resid 41 and name HE21 ) (resid 41 and name HN ) 3.0 0.7 0.5 ! A.1218 at 4.19e+07 assign (resid 41 and name HB1 ) (resid 41 and name HN ) 2.5 0.7 0.4 ! A.1227 at 9.55e+06 assign (resid 41 and name HG1 ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.1225 at 1.39e+06 assign (resid 41 and name HG2 ) (resid 41 and name HN ) 4.5 2.2 2.0 ! A.1226 at 3.17e+05 assign (resid 41 and name HA ) (resid 41 and name HE21 ) 4.5 2.2 2.0 ! A.1407 at 8.63e+05 assign (resid 41 and name HB2 ) (resid 41 and name HE21 ) 4.0 2.2 1.0 ! A.1415 at 1.43e+06 assign (resid 41 and name HB2 ) (resid 41 and name HE22 ) 4.0 2.2 1.0 ! A.1416 at 1.40e+06 assign (resid 41 and name HB1 ) (resid 41 and name HE21 ) 4.5 2.2 2.0 ! A.1410 at 2.54e+05 assign (resid 41 and name HG1 ) (resid 41 and name HE21 ) 4.5 2.2 2.0 ! A.1409 at 2.44e+05 assign (resid 41 and name HG1 ) (resid 41 and name HE22 ) 3.5 1.2 0.5 ! A.1399 at 2.57e+06 assign (resid 41 and name HB1 ) (resid 41 and name HE22 ) 4.5 2.2 2.0 ! A.1411 at 4.92e+05 assign (resid 41 and name HG2 ) (resid 41 and name HE21 ) 4.5 2.2 2.0 ! A.1400 at 3.20e+05 assign (resid 41 and name HN ) (resid 42 and name HN ) 2.5 0.7 0.4 ! A.1219 at 6.49e+06 assign (resid 41 and name HA ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.1297 at 8.07e+05 assign (resid 41 and name HG1 ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.1300 at 1.73e+06 assign (resid 41 and name HE21 ) (resid 42 and name HE1 ) 4.5 2.2 2.0 ! A.1408 at 3.77e+05 assign (resid 41 and name HB# ) (resid 42 and name HN ) 2.5 0.7 0.9 ! A.1301 at 6.26e+06 assign (resid 41 and name HE21 ) (resid 42 and name HB2 ) 4.5 2.2 2.0 ! A.1412 at 6.12e+05 assign (resid 41 and name HG1 ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.106 at 2.62e+05 assign (resid 41 and name HB1 ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.108 at 3.63e+05 assign (resid 41 and name HA ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.104 at 2.82e+05 assign (resid 41 and name HN ) (resid 46 and name HG2 ) 4.5 2.2 2.0 ! A.1228 at 8.35e+05 ! K42 assign (resid 42 and name HB2 ) (resid 42 and name HN ) 2.5 0.7 0.4 ! A.1303 at 5.14e+06 assign (resid 42 and name HG1 ) (resid 42 and name HN ) 3.5 1.2 1.0 ! A.1306 at 3.90e+06 assign (resid 42 and name HB1 ) (resid 42 and name HN ) 3.5 1.2 0.5 ! A.1302 at 4.14e+06 assign (resid 42 and name HE1 ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.1298 at 3.33e+05 assign (resid 42 and name HD1 ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.1304 at 1.68e+05 assign (resid 42 and name HB2 ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.110 at 2.62e+05 assign (resid 42 and name HB1 ) (resid 43 and name HN ) 4.0 1.2 1.0 ! A.109 at 4.13e+06 assign (resid 42 and name HN ) (resid 43 and name HN ) 2.5 0.7 0.4 ! A.1291 at 8.19e+06 assign (resid 42 and name HN ) (resid 43 and name HA ) 4.5 2.2 2.0 ! A.1292 at 3.20e+05 assign (resid 42 and name HA ) (resid 43 and name HN ) 3.5 1.2 0.5 ! A.100 at 3.69e+06 assign (resid 42 and name HA ) (resid 44 and name HN ) 4.5 2.2 2.0 ! A.1172 at 3.57e+05 assign (resid 42 and name HN ) (resid 44 and name HN ) 4.5 2.2 2.0 ! A.1290 at 3.23e+05 assign (resid 42 and name HN ) (resid 44 and name HG2# ) 4.5 2.2 2.5 ! A.1308 at 7.35e+05 ! A43 assign (resid 43 and name HB# ) (resid 43 and name HN ) 2.5 0.7 0.9 ! A.112 at 2.07e+07 assign (resid 43 and name HN ) (resid 44 and name HG2# ) 4.5 2.2 2.5 ! A.114 at 3.80e+05 assign (resid 43 and name HN ) (resid 44 and name HN ) 4.5 2.2 2.0 ! A.1168 at 1.03e+06 assign (resid 43 and name HN ) (resid 44 and name HB ) 4.5 2.2 2.0 ! A.99 at 2.97e+05 assign (resid 43 and name HB# ) (resid 44 and name HN ) 2.5 0.7 0.9 ! A.1180 at 1.68e+07 ! T44 assign (resid 44 and name HB ) (resid 44 and name HN ) 2.5 0.7 0.4 ! A.1171 at 1.99e+07 assign (resid 44 and name HG2# ) (resid 44 and name HN ) 3.5 1.2 1.0 ! A.1181 at 4.46e+06 assign (resid 44 and name HN ) (resid 45 and name HD2 ) 4.5 2.2 2.0 ! A.1176 at 2.31e+05 assign (resid 44 and name HN ) (resid 46 and name HG1 ) 4.5 2.2 2.0 ! A.1178 at 4.87e+05 ! P45 assign (resid 45 and name HB2 ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.937 at 2.29e+05 assign (resid 45 and name HB1 ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.935 at 2.40e+05 assign (resid 45 and name HA ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.929 at 3.45e+05 ! P46 assign (resid 46 and name HD1 ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.1355 at 1.47e+06 assign (resid 46 and name HG1 ) (resid 47 and name HN ) 3.5 1.2 0.5 ! A.1358 at 3.46e+06 assign (resid 46 and name HB# ) (resid 47 and name HN ) 2.5 0.7 0.9 ! A.1357 at 5.08e+06 assign (resid 46 and name HA ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.1153 at 1.68e+06 assign (resid 46 and name HB# ) (resid 48 and name HN ) 4.5 2.2 2.5 ! A.1156 at 5.95e+05 assign (resid 46 and name HD1 ) (resid 48 and name HN ) 4.5 2.2 2.0 ! A.1155 at 1.36e+05 assign (resid 46 and name HG2 ) (resid 48 and name HN ) 4.5 2.2 2.0 ! A.1159 at 2.39e+05 assign (resid 46 and name HG1 ) (resid 48 and name HN ) 3.5 1.2 0.5 ! A.1158 at 2.35e+06 assign (resid 46 and name HA ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.930 at 8.73e+05 ! K47 assign (resid 47 and name HE1 ) (resid 47 and name HN ) 4.5 2.2 2.0 ! A.1356 at 2.92e+05 assign (resid 47 and name HG1 ) (resid 47 and name HN ) 4.5 2.2 2.0 ! A.1360 at 4.81e+05 assign (resid 47 and name HB# ) (resid 47 and name HN ) 2.5 0.7 0.9 ! A.1359 at 1.54e+07 assign (resid 47 and name HN ) (resid 48 and name HN ) 2.5 0.7 0.4 ! A.1349 at 5.15e+06 assign (resid 47 and name HB1 ) (resid 48 and name HN ) 4.5 2.2 2.0 ! A.1161 at 3.13e+05 assign (resid 47 and name HA ) (resid 48 and name HN ) 4.5 2.2 2.0 ! A.1154 at 4.26e+05 assign (resid 47 and name HN ) (resid 48 and name HA ) 4.5 2.2 2.0 ! A.1352 at 2.73e+05 assign (resid 47 and name HN ) (resid 48 and name HD2# ) 4.5 2.2 2.5 ! A.1361 at 4.44e+05 assign (resid 47 and name HD1 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.1160 at 1.32e+06 assign (resid 47 and name HA ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.931 at 3.48e+05 assign (resid 47 and name HN ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.1350 at 3.72e+05 assign (resid 47 and name HN ) (resid 102 and name HD22 ) 4.5 2.2 2.0 ! A.1351 at 4.81e+05 assign (resid 47 and name HG1 ) (resid 102 and name HD21 ) 4.5 2.2 2.0 ! A.1458 at 7.50e+05 assign (resid 47 and name HE1 ) (resid 102 and name HD21 ) 4.5 2.2 2.0 ! A.1453 at 5.38e+05 assign (resid 47 and name HD1 ) (resid 102 and name HD21 ) 4.5 2.2 2.0 ! A.1456 at 2.72e+05 assign (resid 47 and name HB1 ) (resid 102 and name HD22 ) 4.5 2.2 2.0 ! A.1457 at 3.75e+05 assign (resid 47 and name HD1 ) (resid 102 and name HD22 ) 4.5 2.2 2.0 ! A.1413 at 5.43e+05 assign (resid 47 and name HG1 ) (resid 102 and name HD22 ) 4.0 2.2 1.0 ! A.1418 at 1.42e+06 ! L48 assign (resid 48 and name HD2# ) (resid 48 and name HN ) 4.0 2.2 1.5 ! A.1166 at 1.31e+06 assign (resid 48 and name HD1# ) (resid 48 and name HN ) 3.5 1.2 1.0 ! A.1165 at 2.24e+06 assign (resid 48 and name HB1 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.1162 at 1.74e+06 assign (resid 48 and name HG ) (resid 48 and name HN ) 2.5 0.7 0.4 ! A.1164 at 5.91e+06 assign (resid 48 and name HN ) (resid 49 and name HN ) 3.0 0.7 0.4 ! A.1151 at 4.10e+06 assign (resid 48 and name HD2# ) (resid 49 and name HN ) 4.5 2.2 2.5 ! A.942 at 2.99e+05 assign (resid 48 and name HB1 ) (resid 49 and name HN ) 4.5 2.2 2.0 ! A.938 at 6.10e+05 assign (resid 48 and name HA ) (resid 49 and name HN ) 3.5 1.2 0.5 ! A.928 at 3.14e+06 assign (resid 48 and name HN ) (resid 50 and name HN ) 4.5 2.2 2.0 ! A.1149 at 1.51e+05 assign (resid 48 and name HB1 ) (resid 50 and name HN ) 4.5 2.2 2.0 ! A.1190 at 9.47e+05 assign (resid 48 and name HD2# ) (resid 51 and name HN ) 4.5 2.2 2.5 ! A.787 at 3.29e+05 assign (resid 48 and name HB1 ) (resid 52 and name HN ) 4.0 1.2 0.5 ! A.1071 at 1.03e+06 ! E49 assign (resid 49 and name HG# ) (resid 49 and name HN ) 3.5 1.2 1.0 ! A.934 at 3.38e+06 assign (resid 49 and name HB# ) (resid 49 and name HN ) 2.5 0.7 0.9 ! A.936 at 9.36e+06 assign (resid 49 and name HN ) (resid 50 and name HN ) 3.5 1.2 0.5 ! A.1183 at 4.56e+06 assign (resid 49 and name HN ) (resid 50 and name HB# ) 4.5 2.2 2.5 ! A.933 at 4.90e+05 assign (resid 49 and name HB# ) (resid 50 and name HN ) 3.5 1.2 1.0 ! A.1188 at 4.92e+06 assign (resid 49 and name HA ) (resid 50 and name HN ) 3.5 1.2 0.5 ! A.1185 at 3.86e+06 assign (resid 49 and name HG# ) (resid 50 and name HN ) 3.5 1.2 1.0 ! A.1187 at 1.81e+06 assign (resid 49 and name HN ) (resid 51 and name HN ) 4.5 2.2 2.0 ! A.927 at 3.31e+05 assign (resid 49 and name HA ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.779 at 1.40e+06 assign (resid 49 and name HN ) (resid 51 and name HG1 ) 4.0 2.2 1.0 ! A.940 at 1.57e+06 assign (resid 49 and name HN ) (resid 51 and name HD# ) 4.5 2.2 2.5 ! A.939 at 4.85e+05 ! D50 assign (resid 50 and name HB# ) (resid 50 and name HN ) 2.5 0.7 0.9 ! A.1186 at 6.00e+06 assign (resid 50 and name HB# ) (resid 51 and name HN ) 4.5 2.2 2.5 ! A.780 at 1.78e+05 assign (resid 50 and name HN ) (resid 51 and name HN ) 2.5 0.7 0.4 ! A.1182 at 6.78e+06 assign (resid 50 and name HN ) (resid 51 and name HG# ) 4.5 2.2 2.5 ! A.1191 at 9.75e+05 assign (resid 50 and name HN ) (resid 52 and name HN ) 4.5 2.2 2.0 ! A.1062 at 5.49e+05 assign (resid 50 and name HA ) (resid 52 and name HN ) 3.5 1.2 0.5 ! A.1065 at 3.89e+06 ! K51 assign (resid 51 and name HD# ) (resid 51 and name HN ) 4.5 2.2 2.5 ! A.785 at 5.81e+05 assign (resid 51 and name HB# ) (resid 51 and name HN ) 2.5 0.7 0.9 ! A.783 at 8.40e+06 assign (resid 51 and name HG# ) (resid 51 and name HN ) 3.5 1.2 1.0 ! A.786 at 3.29e+06 assign (resid 51 and name HN ) (resid 52 and name HA ) 4.5 2.2 2.0 ! A.774 at 1.68e+05 assign (resid 51 and name HN ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.1063 at 1.21e+06 assign (resid 51 and name HN ) (resid 52 and name HB2 ) 4.5 2.2 2.0 ! A.778 at 2.87e+05 assign (resid 51 and name HN ) (resid 52 and name HB1 ) 4.5 2.2 2.0 ! A.777 at 5.82e+05 assign (resid 51 and name HG# ) (resid 52 and name HN ) 4.5 2.2 2.5 ! A.1072 at 9.67e+05 assign (resid 51 and name HB# ) (resid 52 and name HN ) 3.5 0.7 0.9 ! A.1070 at 4.72e+06 assign (resid 51 and name HA ) (resid 52 and name HN ) 3.5 1.2 0.5 ! A.1065 at 4.29e+06 assign (resid 51 and name HA ) (resid 54 and name HN ) 4.5 2.2 2.0 ! A.1339 at 2.00e+05 assign (resid 51 and name HB# ) (resid 55 and name HN ) 4.5 2.2 2.5 ! A.1128 at 4.03e+05 assign (resid 51 and name HD# ) (resid 55 and name HN ) 4.5 2.2 2.5 ! A.1129 at 7.09e+05 ! S52 assign (resid 52 and name HB1 ) (resid 52 and name HN ) 3.5 1.2 0.5 ! A.1066 at 4.07e+06 assign (resid 52 and name HB2 ) (resid 52 and name HN ) 2.5 0.7 0.4 ! A.1067 at 8.80e+06 assign (resid 52 and name HN ) (resid 54 and name HN ) 4.5 2.2 2.0 ! A.1335 at 5.80e+05 assign (resid 52 and name HB1 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.1340 at 1.22e+06 assign (resid 52 and name HB2 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.1341 at 1.24e+06 assign (resid 52 and name HN ) (resid 57 and name HG# ) 4.5 2.2 2.5 ! A.1069 at 3.27e+05 ! P53 assign (resid 53 and name HB1 ) (resid 54 and name HN ) 4.5 2.2 2.0 ! A.1346 at 4.19e+05 assign (resid 53 and name HD1 ) (resid 54 and name HN ) 4.5 2.2 2.0 ! A.1342 at 1.45e+05 assign (resid 53 and name HB2 ) (resid 54 and name HN ) 4.5 2.2 2.0 ! A.1347 at 5.52e+05 assign (resid 53 and name HA ) (resid 55 and name HN ) 4.5 2.2 2.0 ! A.1122 at 1.01e+06 ! D54 assign (resid 54 and name HB# ) (resid 54 and name HN ) 3.5 1.2 1.0 ! A.1344 at 4.23e+06 assign (resid 54 and name HB2 ) (resid 55 and name HN ) 4.5 2.2 2.0 ! A.1125 at 6.62e+05 assign (resid 54 and name HN ) (resid 55 and name HN ) 2.5 0.7 0.4 ! A.1336 at 5.89e+06 assign (resid 54 and name HA ) (resid 55 and name HN ) 3.5 1.2 0.5 ! A.1119 at 4.26e+06 assign (resid 54 and name HN ) (resid 55 and name HB2 ) 4.0 2.2 1.0 ! A.1341 at 1.24e+06 assign (resid 54 and name HN ) (resid 57 and name HG# ) 4.0 2.2 1.5 ! A.1345 at 1.15e+06 assign (resid 54 and name HN ) (resid 57 and name HN ) 4.5 2.2 2.0 ! A.1334 at 3.18e+05 assign (resid 54 and name HN ) (resid 57 and name HB2 ) 3.5 1.2 0.5 ! A.1348 at 1.93e+06 assign (resid 54 and name HN ) (resid 58 and name HG1 ) 4.0 1.2 0.5 ! A.1343 at 1.41e+06 ! S55 assign (resid 55 and name HB1 ) (resid 55 and name HN ) 3.5 1.2 0.5 ! A.1078 at 4.29e+06 assign (resid 55 and name HB2 ) (resid 55 and name HN ) 3.5 1.2 0.5 ! A.1123 at 4.22e+06 assign (resid 55 and name HN ) (resid 57 and name HB1 ) 3.5 1.2 0.5 ! A.1127 at 3.89e+06 assign (resid 55 and name HN ) (resid 57 and name HN ) 4.5 2.2 2.0 ! A.1117 at 3.45e+05 assign (resid 55 and name HN ) (resid 57 and name HG# ) 4.5 2.2 2.5 ! A.1126 at 2.11e+05 assign (resid 55 and name HA ) (resid 57 and name HN ) 3.5 1.2 0.5 ! A.1136 at 3.59e+06 assign (resid 55 and name HN ) (resid 57 and name HB2 ) 4.0 2.2 1.0 ! A.1085 at 1.11e+06 assign (resid 55 and name HB2 ) (resid 57 and name HN ) 3.5 1.2 0.5 ! A.1139 at 4.61e+06 ! P56 assign (resid 56 and name HB1 ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.447 at 1.46e+06 assign (resid 56 and name HB2 ) (resid 60 and name HN ) 4.5 2.2 2.0 ! A.519 at 2.26e+05 ! E57 assign (resid 57 and name HB1 ) (resid 57 and name HN ) 3.5 1.2 0.5 ! A.1144 at 1.98e+06 assign (resid 57 and name HB2 ) (resid 57 and name HN ) 2.5 0.7 0.4 ! A.1146 at 1.13e+07 assign (resid 57 and name HG# ) (resid 57 and name HN ) 3.5 1.2 1.0 ! A.1142 at 4.50e+06 assign (resid 57 and name HN ) (resid 58 and name HN ) 3.5 1.2 0.5 ! A.1133 at 3.58e+06 assign (resid 57 and name HN ) (resid 58 and name HA ) 4.5 2.2 2.0 ! A.1135 at 4.00e+05 assign (resid 57 and name HA ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.631 at 1.44e+06 assign (resid 57 and name HN ) (resid 58 and name HG1 ) 4.5 2.2 2.0 ! A.1140 at 3.77e+05 assign (resid 57 and name HN ) (resid 59 and name HN ) 4.5 2.2 2.0 ! A.1132 at 4.40e+05 assign (resid 57 and name HN ) (resid 59 and name HG1 ) 4.5 2.2 2.0 ! A.1148 at 2.38e+05 assign (resid 57 and name HN ) (resid 59 and name HB2 ) 4.5 2.2 2.0 ! A.1147 at 3.23e+05 assign (resid 57 and name HN ) (resid 60 and name HN ) 4.5 2.2 2.0 ! A.1131 at 9.07e+05 assign (resid 57 and name HG# ) (resid 61 and name HN ) 4.5 2.2 2.5 ! A.347 at 2.18e+05 assign (resid 57 and name HN ) (resid 105 and name HE1 ) 4.5 2.2 2.0 ! A.1134 at 2.12e+05 ! M58 assign (resid 58 and name HG2 ) (resid 58 and name HN ) 4.5 2.2 2.0 ! A.638 at 6.00e+05 assign (resid 58 and name HB2 ) (resid 58 and name HN ) 2.5 0.7 0.4 ! A.643 at 5.63e+06 assign (resid 58 and name HG1 ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.637 at 1.23e+06 assign (resid 58 and name HB# ) (resid 58 and name HN ) 3.5 1.2 1.0 ! A.641 at 4.22e+06 assign (resid 58 and name HA ) (resid 59 and name HN ) 3.5 1.2 0.5 ! A.445 at 2.84e+06 assign (resid 58 and name HG2 ) (resid 59 and name HN ) 4.5 2.2 2.0 ! A.446 at 3.50e+05 assign (resid 58 and name HG1 ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.325 at 1.23e+06 assign (resid 58 and name HN ) (resid 59 and name HN ) 2.5 0.7 0.4 ! A.624 at 6.13e+06 assign (resid 58 and name HN ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.625 at 1.21e+06 assign (resid 58 and name HN ) (resid 61 and name HB1 ) 4.5 2.2 2.0 ! A.634 at 1.82e+05 assign (resid 58 and name HN ) (resid 61 and name HD1 ) 4.5 2.2 2.0 ! A.628 at 2.56e+05 assign (resid 58 and name HA ) (resid 61 and name HN ) 3.5 1.2 0.5 ! A.340 at 3.26e+06 assign (resid 58 and name HB1 ) (resid 62 and name HN ) 3.5 1.2 0.5 ! A.921 at 3.34e+06 assign (resid 58 and name HA ) (resid 62 and name HN ) 4.0 2.2 1.0 ! A.910 at 1.42e+06 ! K59 assign (resid 59 and name HG# ) (resid 59 and name HN ) 3.5 1.2 1.0 ! A.450 at 3.57e+06 assign (resid 59 and name HB# ) (resid 59 and name HN ) 2.5 0.7 0.9 ! A.448 at 7.54e+06 assign (resid 59 and name HG1 ) (resid 60 and name HN ) 4.5 2.2 2.0 ! A.521 at 7.66e+05 assign (resid 59 and name HD1 ) (resid 60 and name HN ) 4.5 2.2 2.0 ! A.520 at 1.07e+06 assign (resid 59 and name HA ) (resid 62 and name HN ) 4.0 2.2 1.0 ! A.913 at 1.43e+06 assign (resid 59 and name HN ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.413 at 7.53e+05 assign (resid 59 and name HA ) (resid 63 and name HN ) 4.0 2.2 1.0 ! A.744 at 1.12e+06 assign (resid 59 and name HD# ) (resid 63 and name HN ) 4.0 2.2 1.5 ! A.769 at 1.18e+06 ! D60 assign (resid 60 and name HB1 ) (resid 60 and name HN ) 2.5 0.7 0.4 ! A.518 at 1.38e+07 assign (resid 60 and name HN ) (resid 61 and name HN ) 2.5 0.7 0.4 ! A.336 at 7.31e+06 assign (resid 60 and name HB2 ) (resid 62 and name HN ) 4.5 2.2 2.0 ! A.920 at 1.30e+05 assign (resid 60 and name HB# ) (resid 63 and name HN ) 4.5 2.2 2.5 ! A.766 at 5.81e+05 assign (resid 60 and name HN ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.1570 at 4.67e+05 assign (resid 60 and name HA ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.1579 at 4.83e+05 assign (resid 60 and name HB2 ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.1586 at 4.11e+05 assign (resid 60 and name HN ) (resid 105 and name HE1 ) 4.5 2.2 2.0 ! A.513 at 3.42e+05 ! F61 assign (resid 61 and name HB1 ) (resid 61 and name HN ) 2.5 0.7 0.4 ! A.345 at 6.35e+06 assign (resid 61 and name HE1 ) (resid 62 and name HN ) 4.5 2.2 2.0 ! A.906 at 3.61e+05 assign (resid 61 and name HB2 ) (resid 62 and name HN ) 3.5 1.2 0.5 ! A.918 at 2.15e+06 assign (resid 61 and name HN ) (resid 62 and name HN ) 3.5 1.2 0.5 ! A.904 at 3.68e+06 assign (resid 61 and name HD1 ) (resid 62 and name HN ) 3.5 1.2 0.5 ! A.909 at 2.50e+06 assign (resid 61 and name HB1 ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.765 at 2.09e+05 assign (resid 61 and name HN ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.758 at 4.73e+05 assign (resid 61 and name HN ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.1571 at 2.40e+05 assign (resid 61 and name HN ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.972 at 2.57e+05 ! R62 assign (resid 62 and name HD1 ) (resid 62 and name HN ) 4.0 2.2 1.0 ! A.916 at 1.14e+06 assign (resid 62 and name HD2 ) (resid 62 and name HN ) 3.5 1.2 0.5 ! A.917 at 3.88e+06 assign (resid 62 and name HG# ) (resid 62 and name HN ) 2.5 1.2 1.0 ! A.922 at 4.70e+06 assign (resid 62 and name HD2 ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.764 at 5.31e+05 assign (resid 62 and name HB# ) (resid 63 and name HN ) 4.5 2.2 2.5 ! A.767 at 2.84e+05 assign (resid 62 and name HN ) (resid 63 and name HN ) 3.5 1.2 0.5 ! A.738 at 4.47e+06 assign (resid 62 and name HA ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.745 at 6.13e+05 assign (resid 62 and name HA ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.1582 at 3.95e+05 assign (resid 62 and name HB# ) (resid 64 and name HN ) 4.5 2.2 2.5 ! A.1588 at 4.12e+05 assign (resid 62 and name HN ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.1569 at 2.61e+05 assign (resid 62 and name HB# ) (resid 65 and name HN ) 4.5 2.2 2.5 ! A.988 at 4.75e+05 assign (resid 62 and name HN ) (resid 65 and name HD1 ) 4.5 2.2 2.0 ! A.908 at 1.87e+05 assign (resid 62 and name HA ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.982 at 9.22e+05 assign (resid 62 and name HN ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.970 at 2.64e+05 assign (resid 62 and name HN ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.905 at 2.71e+05 assign (resid 62 and name HA ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.473 at 2.25e+05 ! H63 assign (resid 63 and name HB# ) (resid 63 and name HN ) 2.5 0.7 0.9 ! A.747 at 1.65e+07 assign (resid 63 and name HN ) (resid 64 and name HN ) 3.5 1.2 0.5 ! A.1568 at 3.48e+06 assign (resid 63 and name HA ) (resid 64 and name HN ) 4.0 2.2 1.0 ! A.1578 at 1.77e+06 assign (resid 63 and name HN ) (resid 65 and name HD1 ) 4.5 2.2 2.0 ! A.761 at 2.44e+05 assign (resid 63 and name HN ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.969 at 2.91e+05 assign (resid 63 and name HB1 ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.475 at 4.29e+05 assign (resid 63 and name HA ) (resid 66 and name HN ) 3.5 1.2 0.5 ! A.470 at 2.79e+06 assign (resid 63 and name HN ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.759 at 1.64e+05 assign (resid 63 and name HA ) (resid 67 and name HN ) 4.5 2.2 2.0 ! A.701 at 4.25e+05 ! G64 assign (resid 64 and name HN ) (resid 65 and name HN ) 3.5 1.2 0.5 ! A.1575 at 3.91e+06 assign (resid 64 and name HA1 ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.981 at 2.57e+05 assign (resid 64 and name HN ) (resid 65 and name HB2 ) 4.5 2.2 2.0 ! A.1587 at 2.22e+05 assign (resid 64 and name HN ) (resid 65 and name HD1 ) 4.5 2.2 2.0 ! A.1576 at 4.28e+05 assign (resid 64 and name HA2 ) (resid 65 and name HN ) 3.5 1.2 0.5 ! A.983 at 2.21e+06 assign (resid 64 and name HN ) (resid 65 and name HB1 ) 4.5 2.2 2.0 ! A.1585 at 6.81e+05 assign (resid 64 and name HN ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.1572 at 3.12e+05 assign (resid 64 and name HA2 ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.474 at 7.62e+05 assign (resid 64 and name HN ) (resid 67 and name HN ) 4.5 2.2 2.0 ! A.1573 at 4.65e+05 assign (resid 64 and name HN ) (resid 67 and name HG11 ) 4.5 2.2 2.0 ! A.1590 at 1.97e+05 assign (resid 64 and name HN ) (resid 67 and name HB ) 4.5 2.2 2.0 ! A.1589 at 8.22e+05 assign (resid 64 and name HN ) (resid 68 and name HN ) 4.5 2.2 2.0 ! A.1574 at 2.60e+05 assign (resid 64 and name HN ) (resid 101 and name HE1 ) 4.5 2.2 2.0 ! A.1577 at 3.73e+05 ! F65 assign (resid 65 and name HE1 ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.976 at 9.50e+05 assign (resid 65 and name HD1 ) (resid 65 and name HN ) 3.5 1.2 0.5 ! A.977 at 3.17e+06 assign (resid 65 and name HB2 ) (resid 65 and name HN ) 3.5 1.2 0.5 ! A.987 at 3.07e+06 assign (resid 65 and name HB1 ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.985 at 4.59e+05 assign (resid 65 and name HD1 ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.468 at 4.47e+05 assign (resid 65 and name HZ ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.469 at 3.43e+05 assign (resid 65 and name HN ) (resid 66 and name HN ) 3.5 1.2 0.5 ! A.973 at 4.36e+06 assign (resid 65 and name HE1 ) (resid 66 and name HN ) 3.5 1.2 0.5 ! A.466 at 2.03e+06 assign (resid 65 and name HA ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.472 at 1.44e+06 assign (resid 65 and name HD1 ) (resid 67 and name HN ) 4.5 2.2 2.0 ! A.700 at 2.40e+05 assign (resid 65 and name HN ) (resid 67 and name HN ) 4.5 2.2 2.0 ! A.974 at 6.73e+05 assign (resid 65 and name HA ) (resid 67 and name HN ) 4.5 2.2 2.0 ! A.703 at 3.59e+05 assign (resid 65 and name HN ) (resid 67 and name HG11 ) 4.5 2.2 2.0 ! A.990 at 5.22e+05 assign (resid 65 and name HN ) (resid 67 and name HB ) 4.5 2.2 2.0 ! A.989 at 7.31e+05 assign (resid 65 and name HN ) (resid 68 and name HN ) 4.5 2.2 2.0 ! A.394 at 4.27e+05 assign (resid 65 and name HB2 ) (resid 68 and name HN ) 4.5 2.2 2.0 ! A.402 at 4.23e+05 ! D66 assign (resid 66 and name HB2 ) (resid 66 and name HN ) 3.5 1.2 0.5 ! A.477 at 4.31e+06 assign (resid 66 and name HB1 ) (resid 66 and name HN ) 2.5 0.7 0.4 ! A.476 at 7.35e+06 assign (resid 66 and name HN ) (resid 67 and name HN ) 3.5 1.2 0.5 ! A.697 at 3.34e+06 assign (resid 66 and name HN ) (resid 67 and name HG11 ) 4.5 2.2 2.0 ! A.480 at 2.84e+05 assign (resid 66 and name HA ) (resid 67 and name HN ) 4.5 2.2 2.0 ! A.702 at 9.72e+05 assign (resid 66 and name HN ) (resid 67 and name HB ) 4.0 2.2 1.0 ! A.479 at 1.33e+06 assign (resid 66 and name HA ) (resid 68 and name HN ) 4.5 2.2 2.0 ! A.396 at 3.01e+05 assign (resid 66 and name HN ) (resid 68 and name HN ) 4.5 2.2 2.0 ! A.391 at 6.26e+05 assign (resid 66 and name HN ) (resid 69 and name HG2# ) 4.5 2.2 2.5 ! A.481 at 2.20e+05 assign (resid 66 and name HA ) (resid 69 and name HN ) 3.5 1.2 0.5 ! A.743 at 1.92e+06 assign (resid 66 and name HN ) (resid 69 and name HN ) 4.5 2.2 2.0 ! A.462 at 5.08e+05 ! I67 assign (resid 67 and name HG11 ) (resid 67 and name HN ) 2.5 0.7 0.4 ! A.711 at 7.20e+06 assign (resid 67 and name HG12 ) (resid 67 and name HN ) 3.5 1.2 0.5 ! A.712 at 4.10e+06 assign (resid 67 and name HB ) (resid 67 and name HN ) 2.5 0.7 0.4 ! A.710 at 1.13e+07 assign (resid 67 and name HG2# ) (resid 67 and name HN ) 4.5 2.2 2.5 ! A.713 at 2.16e+05 assign (resid 67 and name HN ) (resid 68 and name HN ) 3.5 1.2 0.5 ! A.698 at 4.90e+06 assign (resid 67 and name HG11 ) (resid 68 and name HN ) 3.5 1.2 0.5 ! A.407 at 2.12e+06 assign (resid 67 and name HA ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.399 at 1.32e+06 assign (resid 67 and name HN ) (resid 68 and name HA ) 4.5 2.2 2.0 ! A.704 at 3.23e+05 assign (resid 67 and name HN ) (resid 69 and name HN ) 4.5 2.2 2.0 ! A.740 at 2.92e+05 assign (resid 67 and name HA ) (resid 69 and name HN ) 4.5 2.2 2.0 ! A.746 at 2.55e+05 assign (resid 67 and name HN ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.1553 at 5.55e+05 assign (resid 67 and name HG2# ) (resid 70 and name HN ) 4.5 2.2 2.5 ! A.1567 at 9.91e+05 assign (resid 67 and name HA ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.1558 at 1.43e+06 assign (resid 67 and name HG11 ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.1565 at 5.70e+05 assign (resid 67 and name HG2# ) (resid 71 and name HN ) 3.5 1.2 1.0 ! A.540 at 2.23e+06 assign (resid 67 and name HA ) (resid 71 and name HN ) 4.5 2.2 2.0 ! A.531 at 6.01e+05 assign (resid 67 and name HA ) (resid 71 and name HE21 ) 4.5 2.2 2.0 ! A.1513 at 2.72e+05 assign (resid 67 and name HG2# ) (resid 71 and name HE21 ) 2.5 0.7 0.9 ! A.1529 at 6.06e+06 assign (resid 67 and name HB ) (resid 71 and name HE22 ) 4.5 2.2 2.0 ! A.1522 at 3.68e+05 assign (resid 67 and name HB ) (resid 71 and name HE21 ) 4.5 2.2 2.0 ! A.1523 at 4.62e+05 ! L68 assign (resid 68 and name HD1# ) (resid 68 and name HN ) 3.5 1.2 1.0 ! A.410 at 4.82e+06 assign (resid 68 and name HG ) (resid 68 and name HN ) 3.5 1.2 0.5 ! A.406 at 4.27e+06 assign (resid 68 and name HD2# ) (resid 68 and name HN ) 3.5 1.2 1.0 ! A.411 at 2.61e+06 assign (resid 68 and name HB# ) (resid 68 and name HN ) 2.5 0.7 0.9 ! A.405 at 1.09e+07 assign (resid 68 and name HN ) (resid 69 and name HN ) 4.5 2.2 2.0 ! A.741 at 5.31e+05 assign (resid 68 and name HD2# ) (resid 69 and name HN ) 4.5 2.2 2.5 ! A.755 at 2.38e+05 assign (resid 68 and name HD1# ) (resid 69 and name HN ) 4.5 2.2 2.5 ! A.754 at 2.29e+05 assign (resid 68 and name HG ) (resid 69 and name HN ) 4.5 2.2 2.0 ! A.752 at 8.73e+05 assign (resid 68 and name HN ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.1554 at 2.68e+05 assign (resid 68 and name HG ) (resid 71 and name HN ) 4.5 2.2 2.0 ! A.538 at 2.24e+05 assign (resid 68 and name HN ) (resid 71 and name HG1 ) 4.5 2.2 2.0 ! A.403 at 2.65e+05 assign (resid 68 and name HA ) (resid 71 and name HN ) 3.5 1.2 0.5 ! A.529 at 3.39e+06 assign (resid 68 and name HN ) (resid 71 and name HE22 ) 4.5 2.2 2.0 ! A.395 at 2.02e+05 assign (resid 68 and name HN ) (resid 71 and name HB# ) 4.5 2.2 2.5 ! A.404 at 2.54e+05 assign (resid 68 and name HD2# ) (resid 71 and name HE22 ) 4.5 2.2 2.5 ! A.1534 at 6.78e+05 assign (resid 68 and name HD2# ) (resid 71 and name HE21 ) 4.5 2.2 2.5 ! A.1533 at 6.14e+05 assign (resid 68 and name HG ) (resid 71 and name HE22 ) 4.5 2.2 2.0 ! A.1525 at 2.49e+05 assign (resid 68 and name HG ) (resid 71 and name HE21 ) 4.5 2.2 2.0 ! A.1524 at 3.00e+05 assign (resid 68 and name HA ) (resid 71 and name HE22 ) 4.5 2.2 2.0 ! A.1509 at 4.97e+05 assign (resid 68 and name HD1# ) (resid 71 and name HE22 ) 2.5 0.7 0.9 ! A.1530 at 5.51e+06 assign (resid 68 and name HB# ) (resid 71 and name HE22 ) 4.5 2.2 2.5 ! A.1522 at 3.68e+05 assign (resid 68 and name HB# ) (resid 71 and name HE21 ) 4.5 2.2 2.5 ! A.1523 at 4.62e+05 assign (resid 68 and name HG ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.41 at 2.40e+05 assign (resid 68 and name HB# ) (resid 72 and name HN ) 4.5 2.2 2.5 ! A.39 at 1.62e+05 assign (resid 68 and name HA ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.27 at 4.77e+05 ! V69 assign (resid 69 and name HG2# ) (resid 69 and name HN ) 2.5 0.7 0.9 ! A.753 at 1.25e+07 assign (resid 69 and name HN ) (resid 70 and name HN ) 3.5 1.2 0.5 ! A.1550 at 3.59e+06 assign (resid 69 and name HA ) (resid 70 and name HN ) 4.5 2.2 2.0 ! A.1559 at 9.44e+05 assign (resid 69 and name HG2# ) (resid 70 and name HN ) 3.5 1.2 1.0 ! A.1566 at 3.60e+06 assign (resid 69 and name HB ) (resid 70 and name HN ) 3.5 1.2 0.5 ! A.1563 at 4.57e+06 assign (resid 69 and name HN ) (resid 71 and name HG1 ) 4.5 2.2 2.0 ! A.749 at 2.24e+05 assign (resid 69 and name HN ) (resid 71 and name HE21 ) 4.5 2.2 2.0 ! A.1496 at 1.98e+05 assign (resid 69 and name HA ) (resid 71 and name HE21 ) 4.5 2.2 2.0 ! A.1514 at 2.51e+05 assign (resid 69 and name HN ) (resid 71 and name HN ) 4.5 2.2 2.0 ! A.552 at 8.07e+05 assign (resid 69 and name HA ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.30 at 3.71e+05 assign (resid 69 and name HA ) (resid 73 and name HN ) 3.5 1.2 0.5 ! A.293 at 1.81e+06 ! G70 assign (resid 70 and name HA# ) (resid 71 and name HN ) 3.5 1.2 1.0 ! A.530 at 3.16e+06 assign (resid 70 and name HN ) (resid 71 and name HG1 ) 4.5 2.2 2.0 ! A.1562 at 6.85e+05 assign (resid 70 and name HN ) (resid 71 and name HE21 ) 4.5 2.2 2.0 ! A.1555 at 5.47e+05 assign (resid 70 and name HN ) (resid 71 and name HN ) 2.5 0.7 0.4 ! A.1552 at 5.74e+06 assign (resid 70 and name HA# ) (resid 72 and name HN ) 4.5 2.2 2.5 ! A.28 at 3.17e+05 assign (resid 70 and name HN ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.20 at 8.36e+05 assign (resid 70 and name HN ) (resid 73 and name HB2 ) 4.5 2.2 2.0 ! A.1561 at 6.64e+05 assign (resid 70 and name HN ) (resid 73 and name HB1 ) 4.5 2.2 2.0 ! A.1560 at 7.12e+05 assign (resid 70 and name HA# ) (resid 74 and name HN ) 4.5 2.2 2.5 ! A.195 at 6.54e+05 ! Q71 assign (resid 71 and name HE21 ) (resid 71 and name HN ) 3.0 0.7 0.5 ! A.526 at 5.46e+06 assign (resid 71 and name HB# ) (resid 71 and name HN ) 4.0 2.2 1.5 ! A.537 at 1.33e+06 assign (resid 71 and name HE22 ) (resid 71 and name HN ) 4.5 2.2 2.0 ! A.527 at 2.23e+05 assign (resid 71 and name HG1 ) (resid 71 and name HE21 ) 3.5 1.2 0.5 ! A.1515 at 3.78e+06 assign (resid 71 and name HB# ) (resid 71 and name HE21 ) 4.0 2.2 1.5 ! A.1518 at 1.14e+06 assign (resid 71 and name HB# ) (resid 71 and name HE22 ) 4.5 2.2 2.5 ! A.1519 at 8.13e+05 assign (resid 71 and name HG2 ) (resid 71 and name HE21 ) 4.5 2.2 2.0 ! A.1517 at 3.34e+05 assign (resid 71 and name HA ) (resid 71 and name HE22 ) 4.5 2.2 2.0 ! A.1506 at 2.42e+05 assign (resid 71 and name HA ) (resid 71 and name HE21 ) 4.5 2.2 2.0 ! A.1505 at 3.92e+05 assign (resid 71 and name HG# ) (resid 71 and name HN ) 2.5 0.7 0.9 ! A.534 at 6.24e+06 assign (resid 71 and name HG1 ) (resid 71 and name HN ) 2.5 0.7 0.4 ! A.535 at 1.08e+07 assign (resid 71 and name HG2 ) (resid 71 and name HE22 ) 3.5 1.2 0.5 ! A.1516 at 2.64e+06 assign (resid 71 and name HG1 ) (resid 71 and name HE22 ) 3.5 1.2 0.5 ! A.1516 at 2.64e+06 assign (resid 71 and name HN ) (resid 72 and name HN ) 3.5 1.2 0.5 ! A.523 at 4.56e+06 assign (resid 71 and name HG1 ) (resid 72 and name HN ) 3.5 1.2 0.5 ! A.34 at 2.61e+06 assign (resid 71 and name HA ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.26 at 1.09e+06 assign (resid 71 and name HG2 ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.35 at 3.20e+05 assign (resid 71 and name HE21 ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.1497 at 2.14e+05 assign (resid 71 and name HE22 ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.24 at 3.42e+05 assign (resid 71 and name HN ) (resid 72 and name HG11 ) 4.0 2.2 1.0 ! A.539 at 1.48e+06 assign (resid 71 and name HN ) (resid 72 and name HB ) 3.5 1.2 0.5 ! A.536 at 3.84e+06 assign (resid 71 and name HN ) (resid 73 and name HN ) 4.5 2.2 2.0 ! A.522 at 8.05e+05 assign (resid 71 and name HN ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.524 at 3.98e+05 assign (resid 71 and name HB# ) (resid 74 and name HN ) 4.5 2.2 2.5 ! A.203 at 1.05e+06 assign (resid 71 and name HG2 ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.231 at 3.46e+05 assign (resid 71 and name HB# ) (resid 75 and name HN ) 4.5 2.2 2.5 ! A.68 at 1.10e+06 assign (resid 71 and name HE22 ) (resid 94 and name HD2# ) 4.5 2.2 2.5 ! A.1532 at 4.73e+05 assign (resid 71 and name HE22 ) (resid 94 and name HB1 ) 4.5 2.2 2.0 ! A.1521 at 5.81e+05 assign (resid 71 and name HE21 ) (resid 94 and name HB1 ) 4.5 2.2 2.0 ! A.1520 at 3.50e+05 assign (resid 71 and name HE21 ) (resid 94 and name HA ) 4.5 2.2 2.0 ! A.1508 at 4.11e+05 assign (resid 71 and name HE22 ) (resid 94 and name HD1# ) 3.5 1.2 1.0 ! A.1530 at 3.51e+06 assign (resid 71 and name HE21 ) (resid 94 and name HD1# ) 3.0 0.7 0.9 ! A.1529 at 6.06e+06 assign (resid 71 and name HE22 ) (resid 94 and name HB2 ) 4.5 2.2 2.0 ! A.1522 at 3.68e+05 assign (resid 71 and name HE21 ) (resid 94 and name HB2 ) 4.5 2.2 2.0 ! A.1523 at 4.62e+05 assign (resid 71 and name HE22 ) (resid 97 and name HA ) 4.5 2.2 2.0 ! A.1510 at 3.78e+05 assign (resid 71 and name HE21 ) (resid 97 and name HB ) 4.5 2.2 2.0 ! A.1507 at 3.55e+05 assign (resid 71 and name HE21 ) (resid 97 and name HG2# ) 4.5 2.2 2.5 ! A.1526 at 3.43e+05 assign (resid 71 and name HE22 ) (resid 97 and name HG2# ) 4.5 2.2 2.5 ! A.1527 at 4.49e+05 assign (resid 71 and name HE22 ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.1495 at 4.20e+05 assign (resid 71 and name HE21 ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.1494 at 1.65e+05 assign (resid 71 and name HE21 ) (resid 98 and name HA ) 4.5 2.2 2.0 ! A.1511 at 3.73e+05 assign (resid 71 and name HE22 ) (resid 98 and name HG2# ) 4.5 2.2 2.5 ! A.1528 at 3.18e+05 assign (resid 71 and name HE21 ) (resid 98 and name HG2# ) 2.5 0.7 0.9 ! A.1529 at 6.06e+06 assign (resid 71 and name HE22 ) (resid 98 and name HB ) 4.5 2.2 2.0 ! A.1522 at 3.68e+05 ! I72 assign (resid 72 and name HB ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.37 at 1.03e+07 assign (resid 72 and name HG11 ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.42 at 7.28e+06 assign (resid 72 and name HN ) (resid 73 and name HB1 ) 4.5 2.2 2.0 ! A.31 at 3.46e+05 assign (resid 72 and name HN ) (resid 73 and name HA ) 4.5 2.2 2.0 ! A.25 at 3.37e+05 assign (resid 72 and name HN ) (resid 73 and name HN ) 4.5 2.2 2.0 ! A.756 at 7.30e+05 assign (resid 72 and name HB ) (resid 73 and name HN ) 2.5 0.7 0.4 ! A.280 at 8.43e+06 assign (resid 72 and name HA ) (resid 73 and name HN ) 3.5 1.2 0.5 ! A.293 at 1.81e+06 assign (resid 72 and name HN ) (resid 74 and name HB1 ) 4.5 2.2 2.0 ! A.32 at 9.57e+05 assign (resid 72 and name HA ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.229 at 2.28e+05 assign (resid 72 and name HG11 ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.233 at 2.12e+05 assign (resid 72 and name HN ) (resid 74 and name HN ) 4.5 2.2 2.0 ! A.224 at 4.14e+05 assign (resid 72 and name HN ) (resid 74 and name HB2 ) 4.5 2.2 2.0 ! A.33 at 6.91e+05 assign (resid 72 and name HN ) (resid 75 and name HN ) 4.5 2.2 2.0 ! A.54 at 2.76e+05 assign (resid 72 and name HN ) (resid 75 and name HB# ) 4.5 2.2 2.5 ! A.40 at 4.38e+05 assign (resid 72 and name HA ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.64 at 1.62e+06 assign (resid 72 and name HN ) (resid 94 and name HD1# ) 3.0 0.7 0.9 ! A.43 at 5.29e+06 assign (resid 72 and name HN ) (resid 94 and name HB1 ) 4.5 2.2 2.0 ! A.38 at 1.80e+05 ! D73 assign (resid 73 and name HB1 ) (resid 73 and name HN ) 2.5 0.7 0.4 ! A.294 at 7.44e+06 assign (resid 73 and name HB2 ) (resid 73 and name HN ) 2.5 0.7 0.4 ! A.296 at 6.12e+06 assign (resid 73 and name HN ) (resid 74 and name HN ) 3.5 1.2 0.5 ! A.223 at 4.93e+06 assign (resid 73 and name HN ) (resid 74 and name HA ) 4.5 2.2 2.0 ! A.292 at 1.53e+05 assign (resid 73 and name HA ) (resid 75 and name HN ) 4.5 2.2 2.0 ! A.59 at 3.92e+05 assign (resid 73 and name HN ) (resid 75 and name HB# ) 4.5 2.2 2.5 ! A.297 at 1.02e+06 assign (resid 73 and name HN ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.273 at 1.33e+06 assign (resid 73 and name HA ) (resid 76 and name HN ) 3.5 1.2 0.5 ! A.554 at 1.87e+06 ! D74 assign (resid 74 and name HB2 ) (resid 74 and name HN ) 2.5 0.7 0.4 ! A.230 at 8.71e+06 assign (resid 74 and name HB1 ) (resid 74 and name HN ) 2.5 0.7 0.4 ! A.201 at 1.45e+07 assign (resid 74 and name HN ) (resid 75 and name HN ) 2.5 0.7 0.4 ! A.55 at 7.13e+06 assign (resid 74 and name HA ) (resid 75 and name HN ) 3.5 1.2 0.5 ! A.60 at 1.91e+06 assign (resid 74 and name HB2 ) (resid 75 and name HN ) 3.5 1.2 0.5 ! A.66 at 3.53e+06 assign (resid 74 and name HB1 ) (resid 75 and name HN ) 3.5 1.2 0.5 ! A.65 at 4.76e+06 assign (resid 74 and name HA ) (resid 76 and name HN ) 4.5 2.2 2.0 ! A.555 at 2.44e+05 assign (resid 74 and name HN ) (resid 76 and name HB1 ) 4.5 2.2 2.0 ! A.203 at 5.05e+05 assign (resid 74 and name HN ) (resid 77 and name HD1 ) 4.5 2.2 2.0 ! A.232 at 5.43e+05 assign (resid 74 and name HN ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.563 at 1.14e+06 assign (resid 74 and name HB2 ) (resid 77 and name HN ) 4.5 2.2 2.0 ! A.571 at 3.76e+05 assign (resid 74 and name HA ) (resid 77 and name HN ) 3.5 1.2 0.5 ! A.565 at 2.95e+06 assign (resid 74 and name HN ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.1029 at 1.09e+05 assign (resid 74 and name HA ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.1032 at 5.53e+05 ! A75 assign (resid 75 and name HB# ) (resid 75 and name HN ) 2.5 0.7 0.9 ! A.71 at 1.69e+07 assign (resid 75 and name HN ) (resid 76 and name HA ) 4.5 2.2 2.0 ! A.63 at 4.93e+05 assign (resid 75 and name HN ) (resid 76 and name HB# ) 4.5 2.2 2.5 ! A.68 at 4.70e+05 assign (resid 75 and name HN ) (resid 76 and name HN ) 2.5 0.7 0.4 ! A.53 at 5.02e+06 assign (resid 75 and name HA ) (resid 76 and name HN ) 3.5 1.2 0.5 ! A.544 at 4.14e+06 assign (resid 75 and name HN ) (resid 77 and name HD1 ) 4.5 2.2 2.0 ! A.70 at 3.29e+05 assign (resid 75 and name HB# ) (resid 77 and name HN ) 3.5 1.2 1.0 ! A.574 at 4.07e+06 assign (resid 75 and name HN ) (resid 78 and name HB2 ) 4.5 2.2 2.0 ! A.69 at 3.66e+05 assign (resid 75 and name HN ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.58 at 6.38e+05 assign (resid 75 and name HN ) (resid 79 and name HN ) 4.5 2.2 2.0 ! A.56 at 3.52e+05 assign (resid 75 and name HN ) (resid 94 and name HD2# ) 4.5 2.2 2.5 ! A.74 at 2.66e+05 assign (resid 75 and name HN ) (resid 94 and name HD1# ) 4.0 2.2 1.5 ! A.73 at 1.41e+06 ! L76 assign (resid 76 and name HD2# ) (resid 76 and name HN ) 3.5 1.2 1.0 ! A.560 at 4.36e+06 assign (resid 76 and name HB1 ) (resid 76 and name HN ) 2.5 0.7 0.4 ! A.557 at 9.70e+06 assign (resid 76 and name HD1# ) (resid 76 and name HN ) 4.0 2.2 1.5 ! A.559 at 1.18e+06 assign (resid 76 and name HD2# ) (resid 77 and name HN ) 4.5 2.2 2.5 ! A.577 at 5.12e+05 assign (resid 76 and name HN ) (resid 77 and name HN ) 3.5 1.2 0.5 ! A.561 at 4.83e+06 assign (resid 76 and name HD1# ) (resid 77 and name HN ) 4.5 2.2 2.5 ! A.576 at 7.27e+05 assign (resid 76 and name HB1 ) (resid 77 and name HN ) 2.5 0.7 0.4 ! A.572 at 1.15e+07 assign (resid 76 and name HA ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.375 at 1.38e+06 assign (resid 76 and name HN ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.1027 at 4.14e+05 assign (resid 76 and name HA ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.1035 at 2.93e+05 assign (resid 76 and name HB1 ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.1039 at 1.39e+06 assign (resid 76 and name HN ) (resid 79 and name HB# ) 4.5 2.2 2.5 ! A.558 at 3.02e+05 assign (resid 76 and name HN ) (resid 79 and name HN ) 4.5 2.2 2.0 ! A.614 at 3.11e+05 assign (resid 76 and name HA ) (resid 79 and name HN ) 3.5 1.2 0.5 ! A.455 at 2.63e+06 assign (resid 76 and name HB1 ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.1023 at 4.16e+05 assign (resid 76 and name HN ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.1009 at 4.33e+05 assign (resid 76 and name HG ) (resid 80 and name HD22 ) 4.0 2.2 1.0 ! A.1442 at 1.15e+06 assign (resid 76 and name HG ) (resid 80 and name HN ) 3.5 1.2 0.5 ! A.923 at 1.90e+06 assign (resid 76 and name HG ) (resid 80 and name HD21 ) 3.5 1.2 0.5 ! A.1431 at 3.02e+06 assign (resid 76 and name HA ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.999 at 2.14e+05 ! K77 assign (resid 77 and name HB1 ) (resid 77 and name HN ) 2.5 0.7 0.4 ! A.573 at 1.09e+07 assign (resid 77 and name HG1 ) (resid 77 and name HN ) 4.0 1.2 1.0 ! A.575 at 2.33e+06 assign (resid 77 and name HE1 ) (resid 77 and name HN ) 4.5 2.2 2.0 ! A.568 at 6.50e+05 assign (resid 77 and name HN ) (resid 78 and name HN ) 2.5 0.7 0.4 ! A.1031 at 6.62e+06 assign (resid 77 and name HD1 ) (resid 78 and name HN ) 2.5 0.7 0.4 ! A.1042 at 6.90e+06 assign (resid 77 and name HN ) (resid 80 and name HB1 ) 4.5 2.2 2.0 ! A.569 at 5.22e+05 assign (resid 77 and name HN ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.562 at 9.75e+05 assign (resid 77 and name HB1 ) (resid 80 and name HD21 ) 4.5 2.2 2.0 ! A.1441 at 3.19e+05 assign (resid 77 and name HE1 ) (resid 80 and name HD21 ) 4.5 2.2 2.0 ! A.1439 at 1.67e+05 assign (resid 77 and name HA ) (resid 80 and name HD22 ) 4.5 2.2 2.0 ! A.1438 at 4.04e+05 assign (resid 77 and name HA ) (resid 80 and name HN ) 3.5 1.2 0.5 ! A.1016 at 4.69e+06 assign (resid 77 and name HA ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.998 at 9.86e+05 ! L78 assign (resid 78 and name HB1 ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.1038 at 7.21e+05 assign (resid 78 and name HB2 ) (resid 78 and name HN ) 2.5 0.7 0.4 ! A.1041 at 1.42e+07 assign (resid 78 and name HG ) (resid 78 and name HN ) 4.5 2.2 2.0 ! A.1044 at 4.26e+05 assign (resid 78 and name HD2# ) (resid 78 and name HN ) 4.0 2.2 1.5 ! A.1046 at 1.51e+06 assign (resid 78 and name HN ) (resid 79 and name HN ) 2.5 0.7 0.4 ! A.1030 at 5.62e+06 assign (resid 78 and name HN ) (resid 79 and name HB# ) 3.5 1.2 1.0 ! A.1045 at 2.26e+06 assign (resid 78 and name HN ) (resid 79 and name HA ) 4.5 2.2 2.0 ! A.1036 at 2.93e+05 assign (resid 78 and name HB2 ) (resid 79 and name HN ) 3.5 1.2 0.5 ! A.457 at 2.71e+06 assign (resid 78 and name HD1# ) (resid 79 and name HN ) 4.0 2.2 1.5 ! A.618 at 1.45e+06 assign (resid 78 and name HB1 ) (resid 79 and name HN ) 2.5 0.7 0.4 ! A.606 at 5.05e+06 assign (resid 78 and name HB1 ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.1021 at 1.63e+06 assign (resid 78 and name HN ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.1028 at 3.09e+05 assign (resid 78 and name HN ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.994 at 2.37e+05 assign (resid 78 and name HD1# ) (resid 81 and name HN ) 4.5 2.2 2.5 ! A.1008 at 6.37e+05 assign (resid 78 and name HA ) (resid 81 and name HN ) 3.5 1.2 0.5 ! A.998 at 1.86e+06 assign (resid 78 and name HD1# ) (resid 82 and name HN ) 4.5 2.2 2.5 ! A.1549 at 4.94e+05 assign (resid 78 and name HA ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1542 at 3.18e+05 assign (resid 78 and name HD1# ) (resid 86 and name HN ) 4.0 2.2 1.5 ! A.316 at 1.64e+06 assign (resid 78 and name HD1# ) (resid 87 and name HN ) 4.0 2.2 1.5 ! A.133 at 1.27e+06 assign (resid 78 and name HD1# ) (resid 90 and name HN ) 4.5 2.2 2.5 ! A.350 at 1.04e+06 ! A79 assign (resid 79 and name HB# ) (resid 79 and name HN ) 2.5 0.7 0.9 ! A.617 at 1.75e+07 assign (resid 79 and name HN ) (resid 80 and name HN ) 2.5 0.7 0.4 ! A.1010 at 5.94e+06 assign (resid 79 and name HA ) (resid 80 and name HN ) 3.5 1.2 0.5 ! A.1018 at 2.19e+06 assign (resid 79 and name HB# ) (resid 80 and name HN ) 2.5 0.7 0.9 ! A.1025 at 9.84e+06 assign (resid 79 and name HB# ) (resid 81 and name HN ) 4.5 2.2 2.5 ! A.1007 at 4.37e+05 assign (resid 79 and name HB# ) (resid 82 and name HN ) 4.0 2.2 1.5 ! A.1548 at 1.70e+06 assign (resid 79 and name HA ) (resid 83 and name HN ) 4.5 2.2 2.0 ! A.8 at 2.70e+05 assign (resid 79 and name HA ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.658 at 3.86e+05 assign (resid 79 and name HA ) (resid 85 and name HN ) 4.5 2.2 2.0 ! A.431 at 4.42e+05 assign (resid 79 and name HA ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.306 at 1.19e+05 assign (resid 79 and name HB# ) (resid 87 and name HN ) 4.5 2.2 2.5 ! A.131 at 2.37e+05 assign (resid 79 and name HA ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.123 at 4.22e+05 ! N80 assign (resid 80 and name HD22 ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.1013 at 3.26e+05 assign (resid 80 and name HB1 ) (resid 80 and name HN ) 2.5 0.7 0.4 ! A.1019 at 1.18e+07 assign (resid 80 and name HB2 ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.1020 at 1.83e+05 assign (resid 80 and name HA ) (resid 80 and name HD21 ) 4.5 2.2 2.0 ! A.1436 at 2.64e+05 assign (resid 80 and name HA ) (resid 80 and name HD22 ) 4.5 2.2 2.0 ! A.1437 at 5.12e+05 assign (resid 80 and name HN ) (resid 80 and name HD21 ) 4.5 2.2 2.0 ! A.1432 at 4.42e+05 assign (resid 80 and name HB1 ) (resid 80 and name HD22 ) 3.5 1.2 0.5 ! A.1440 at 3.04e+06 assign (resid 80 and name HD21 ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.1434 at 6.37e+05 assign (resid 80 and name HB1 ) (resid 81 and name HN ) 3.5 1.2 0.5 ! A.1001 at 3.02e+06 assign (resid 80 and name HN ) (resid 81 and name HN ) 2.5 0.7 0.4 ! A.1011 at 7.71e+06 assign (resid 80 and name HD22 ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.1435 at 5.23e+05 assign (resid 80 and name HB2 ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.1002 at 3.90e+05 assign (resid 80 and name HN ) (resid 81 and name HA ) 4.0 2.2 1.0 ! A.1015 at 1.49e+06 assign (resid 80 and name HB1 ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1544 at 2.95e+05 assign (resid 80 and name HN ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1535 at 1.69e+05 ! E81 assign (resid 81 and name HG1 ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.1003 at 1.07e+06 assign (resid 81 and name HG2 ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.1004 at 3.15e+05 assign (resid 81 and name HB# ) (resid 81 and name HN ) 2.5 0.7 0.9 ! A.1006 at 1.14e+07 assign (resid 81 and name HN ) (resid 82 and name HN ) 2.5 0.7 0.4 ! A.1537 at 4.72e+07 assign (resid 81 and name HG1 ) (resid 82 and name HN ) 4.5 2.2 2.0 ! A.1545 at 7.66e+05 assign (resid 81 and name HB# ) (resid 82 and name HN ) 3.5 1.2 1.0 ! A.1546 at 2.35e+06 ! G82 assign (resid 82 and name HA2 ) (resid 83 and name HN ) 3.5 1.2 0.5 ! A.7 at 3.47e+06 assign (resid 82 and name HA1 ) (resid 83 and name HN ) 3.5 1.2 0.5 ! A.6 at 3.02e+06 assign (resid 82 and name HN ) (resid 83 and name HN ) 2.5 0.7 0.4 ! A.1536 at 7.44e+06 assign (resid 82 and name HN ) (resid 83 and name HA ) 4.5 2.2 2.0 ! A.1539 at 1.24e+05 assign (resid 82 and name HN ) (resid 83 and name HB2 ) 4.5 2.2 2.0 ! A.1547 at 8.98e+05 assign (resid 82 and name HN ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.1538 at 4.00e+05 assign (resid 82 and name HA2 ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.657 at 2.92e+05 assign (resid 82 and name HN ) (resid 86 and name HB2 ) 4.5 2.2 2.0 ! A.1547 at 8.98e+05 ! K83 assign (resid 83 and name HD1 ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.15 at 1.24e+06 assign (resid 83 and name HG1 ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.16 at 1.46e+06 assign (resid 83 and name HB2 ) (resid 83 and name HN ) 3.5 1.2 0.5 ! A.14 at 3.96e+06 assign (resid 83 and name HB1 ) (resid 83 and name HN ) 3.5 1.2 0.5 ! A.12 at 3.55e+06 assign (resid 83 and name HE1 ) (resid 83 and name HN ) 4.5 2.2 2.0 ! A.10 at 2.09e+05 assign (resid 83 and name HG2 ) (resid 83 and name HN ) 4.5 2.2 2.0 ! A.17 at 2.91e+05 assign (resid 83 and name HN ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.651 at 1.39e+06 assign (resid 83 and name HN ) (resid 84 and name HA ) 4.5 2.2 2.0 ! A.9 at 2.77e+05 assign (resid 83 and name HA ) (resid 84 and name HN ) 2.5 0.7 0.4 ! A.654 at 1.82e+07 assign (resid 83 and name HB2 ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.663 at 1.41e+06 assign (resid 83 and name HD1 ) (resid 84 and name HN ) 2.5 0.7 0.4 ! A.664 at 5.19e+06 assign (resid 83 and name HG# ) (resid 84 and name HN ) 3.5 1.2 1.0 ! A.665 at 2.17e+06 assign (resid 83 and name HN ) (resid 85 and name HN ) 4.5 2.2 2.0 ! A.2 at 4.11e+05 assign (resid 83 and name HE1 ) (resid 85 and name HN ) 4.5 2.2 2.0 ! A.434 at 1.99e+05 assign (resid 83 and name HN ) (resid 86 and name HG1 ) 4.5 2.2 2.0 ! A.11 at 7.91e+05 assign (resid 83 and name HN ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.1 at 1.88e+05 assign (resid 83 and name HA ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.303 at 5.51e+05 assign (resid 83 and name HD1 ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.314 at 1.31e+06 ! V84 assign (resid 84 and name HG2# ) (resid 84 and name HN ) 4.5 2.2 2.5 ! A.667 at 5.18e+05 assign (resid 84 and name HG1# ) (resid 84 and name HN ) 3.5 1.2 1.0 ! A.666 at 3.80e+06 assign (resid 84 and name HB ) (resid 84 and name HN ) 2.5 0.7 0.4 ! A.661 at 1.65e+07 assign (resid 84 and name HN ) (resid 85 and name HN ) 2.5 0.7 0.4 ! A.649 at 8.43e+06 assign (resid 84 and name HN ) (resid 85 and name HA ) 4.5 2.2 2.0 ! A.656 at 2.35e+05 assign (resid 84 and name HG2# ) (resid 85 and name HN ) 3.5 1.2 1.0 ! A.442 at 3.43e+06 assign (resid 84 and name HB ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.310 at 3.62e+05 assign (resid 84 and name HA ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.307 at 4.12e+05 assign (resid 84 and name HN ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.648 at 2.76e+05 assign (resid 84 and name HG1# ) (resid 87 and name HN ) 3.5 1.2 1.0 ! A.132 at 2.02e+06 assign (resid 84 and name HA ) (resid 87 and name HN ) 3.5 1.2 0.5 ! A.124 at 3.27e+06 assign (resid 84 and name HN ) (resid 87 and name HN ) 4.5 2.2 2.0 ! A.120 at 5.26e+05 assign (resid 84 and name HB# ) (resid 87 and name HN ) 4.0 2.2 1.5 ! A.126 at 1.43e+06 assign (resid 84 and name HA ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.959 at 1.06e+06 assign (resid 84 and name HG1# ) (resid 88 and name HN ) 4.5 2.2 2.5 ! A.967 at 9.17e+05 ! K85 assign (resid 85 and name HB2 ) (resid 85 and name HN ) 2.5 0.7 0.4 ! A.440 at 1.16e+07 assign (resid 85 and name HB1 ) (resid 85 and name HN ) 3.5 1.2 0.5 ! A.438 at 3.80e+06 assign (resid 85 and name HE1 ) (resid 85 and name HN ) 4.5 2.2 2.0 ! A.433 at 4.82e+05 assign (resid 85 and name HG# ) (resid 85 and name HN ) 2.5 0.7 0.9 ! A.441 at 5.78e+06 assign (resid 85 and name HN ) (resid 86 and name HN ) 2.5 0.7 0.4 ! A.427 at 8.41e+06 assign (resid 85 and name HN ) (resid 86 and name HG1 ) 4.5 2.2 2.0 ! A.436 at 5.12e+05 assign (resid 85 and name HG# ) (resid 86 and name HN ) 4.0 2.2 1.5 ! A.314 at 1.37e+06 assign (resid 85 and name HN ) (resid 87 and name HN ) 3.5 0.7 0.4 ! A.118 at 3.74e+06 assign (resid 85 and name HN ) (resid 88 and name HG1 ) 4.5 2.2 2.0 ! A.435 at 3.43e+05 assign (resid 85 and name HN ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.428 at 1.34e+06 assign (resid 85 and name HB1 ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.963 at 1.66e+05 assign (resid 85 and name HA ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.253 at 9.06e+05 ! E86 assign (resid 86 and name HB2 ) (resid 86 and name HN ) 2.5 0.7 0.4 ! A.313 at 6.41e+06 assign (resid 86 and name HB1 ) (resid 86 and name HN ) 3.5 1.2 0.5 ! A.312 at 3.68e+06 assign (resid 86 and name HG# ) (resid 86 and name HN ) 3.5 1.2 1.0 ! A.309 at 4.08e+06 assign (resid 86 and name HN ) (resid 87 and name HN ) 2.5 0.7 0.4 ! A.300 at 6.16e+06 assign (resid 86 and name HG1 ) (resid 87 and name HN ) 3.5 1.2 0.5 ! A.126 at 1.83e+06 assign (resid 86 and name HB1 ) (resid 87 and name HN ) 3.5 1.2 0.5 ! A.127 at 2.24e+06 assign (resid 86 and name HN ) (resid 87 and name HB# ) 4.5 2.2 2.5 ! A.314 at 8.71e+05 assign (resid 86 and name HN ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.952 at 4.01e+05 assign (resid 86 and name HN ) (resid 88 and name HG1 ) 4.0 2.2 1.0 ! A.308 at 1.18e+06 assign (resid 86 and name HB2 ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.965 at 2.97e+05 assign (resid 86 and name HB2 ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.259 at 1.04e+05 assign (resid 86 and name HN ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.301 at 1.14e+05 assign (resid 86 and name HA ) (resid 89 and name HN ) 3.5 1.2 0.5 ! A.254 at 3.80e+06 ! A87 assign (resid 87 and name HB# ) (resid 87 and name HN ) 2.5 0.7 0.9 ! A.130 at 1.81e+07 assign (resid 87 and name HN ) (resid 88 and name HN ) 2.5 0.7 0.4 ! A.953 at 7.04e+06 assign (resid 87 and name HN ) (resid 88 and name HG1 ) 4.5 2.2 2.0 ! A.125 at 2.06e+05 assign (resid 87 and name HN ) (resid 88 and name HB# ) 3.5 1.2 1.0 ! A.126 at 1.83e+06 assign (resid 87 and name HA ) (resid 88 and name HN ) 3.5 1.2 0.5 ! A.958 at 4.80e+06 assign (resid 87 and name HB# ) (resid 88 and name HN ) 3.5 1.2 1.0 ! A.966 at 4.29e+06 assign (resid 87 and name HN ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.119 at 1.06e+06 assign (resid 87 and name HA ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.254 at 9.80e+05 assign (resid 87 and name HN ) (resid 90 and name HN ) 3.5 1.2 0.5 ! A.369 at 2.37e+06 assign (resid 87 and name HA ) (resid 90 and name HN ) 3.5 1.2 0.5 ! A.343 at 3.00e+06 assign (resid 87 and name HN ) (resid 91 and name HN ) 4.5 2.2 2.0 ! A.117 at 4.02e+05 ! Q88 assign (resid 88 and name HG1 ) (resid 88 and name HN ) 3.5 1.2 0.5 ! A.960 at 4.81e+06 assign (resid 88 and name HB# ) (resid 88 and name HN ) 2.5 0.7 0.9 ! A.962 at 1.03e+07 assign (resid 88 and name HG2 ) (resid 88 and name HN ) 3.5 1.2 0.5 ! A.961 at 4.41e+06 assign (resid 88 and name HE21 ) (resid 88 and name HN ) 4.5 2.2 2.0 ! A.955 at 2.27e+05 assign (resid 88 and name HG2 ) (resid 88 and name HE22 ) 3.5 1.2 0.5 ! A.1465 at 3.73e+06 assign (resid 88 and name HB# ) (resid 88 and name HE22 ) 4.0 2.2 1.5 ! A.1466 at 1.16e+06 assign (resid 88 and name HG1 ) (resid 88 and name HE22 ) 3.5 1.2 0.5 ! A.1463 at 2.41e+06 assign (resid 88 and name HA ) (resid 88 and name HE21 ) 4.5 2.2 2.0 ! A.1462 at 5.44e+05 assign (resid 88 and name HG1 ) (resid 88 and name HE21 ) 2.5 0.7 0.4 ! A.1422 at 7.98e+06 assign (resid 88 and name HB# ) (resid 88 and name HE21 ) 2.5 0.7 0.9 ! A.1430 at 5.20e+06 assign (resid 88 and name HG2 ) (resid 88 and name HE21 ) 3.5 1.2 0.5 ! A.1430 at 2.20e+06 assign (resid 88 and name HE22 ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.1460 at 3.36e+05 assign (resid 88 and name HN ) (resid 89 and name HN ) 2.5 0.7 0.4 ! A.954 at 5.91e+06 assign (resid 88 and name HB# ) (resid 89 and name HN ) 2.5 0.7 0.9 ! A.257 at 8.06e+06 assign (resid 88 and name HG2 ) (resid 89 and name HN ) 3.5 1.2 0.5 ! A.256 at 3.25e+06 assign (resid 88 and name HB# ) (resid 90 and name HN ) 4.0 2.2 1.5 ! A.348 at 1.41e+06 assign (resid 88 and name HN ) (resid 90 and name HN ) 3.5 1.2 0.5 ! A.954 at 2.91e+06 assign (resid 88 and name HE21 ) (resid 91 and name HB# ) 4.5 2.2 2.5 ! A.1467 at 3.66e+05 assign (resid 88 and name HA ) (resid 91 and name HN ) 3.5 1.2 0.5 ! A.544 at 2.14e+06 assign (resid 88 and name HE22 ) (resid 92 and name HN ) 4.5 2.2 2.0 ! A.1460 at 3.36e+05 assign (resid 88 and name HE22 ) (resid 92 and name HG# ) 4.5 2.2 2.5 ! A.1464 at 2.60e+05 ! A89 assign (resid 89 and name HB# ) (resid 89 and name HN ) 2.5 0.7 0.9 ! A.261 at 2.84e+07 assign (resid 89 and name HN ) (resid 91 and name HN ) 4.5 2.2 2.0 ! A.248 at 5.21e+05 assign (resid 89 and name HA ) (resid 92 and name HN ) 3.5 1.2 0.5 ! A.1105 at 4.12e+06 ! A90 assign (resid 90 and name HB# ) (resid 90 and name HN ) 2.5 0.7 0.9 ! A.378 at 3.61e+07 assign (resid 90 and name HN ) (resid 91 and name HN ) 2.5 0.7 0.4 ! A.542 at 1.32e+07 assign (resid 90 and name HA ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.544 at 1.64e+06 assign (resid 90 and name HN ) (resid 93 and name HN ) 4.5 2.2 2.0 ! A.372 at 7.76e+05 assign (resid 90 and name HA ) (resid 94 and name HN ) 4.5 2.2 2.0 ! A.276 at 7.83e+05 ! A91 assign (resid 91 and name HB# ) (resid 91 and name HN ) 2.5 0.7 0.9 ! A.550 at 3.93e+07 assign (resid 91 and name HA ) (resid 92 and name HN ) 4.5 2.2 2.0 ! A.1108 at 3.70e+05 assign (resid 91 and name HN ) (resid 92 and name HG# ) 4.5 2.2 2.5 ! A.547 at 4.76e+05 assign (resid 91 and name HB# ) (resid 92 and name HN ) 2.5 0.7 0.9 ! A.1114 at 1.18e+07 assign (resid 91 and name HN ) (resid 92 and name HN ) 2.5 0.7 0.4 ! A.1101 at 6.66e+06 assign (resid 91 and name HN ) (resid 93 and name HN ) 4.5 2.2 2.0 ! A.543 at 6.53e+05 assign (resid 91 and name HA ) (resid 93 and name HN ) 4.5 2.2 2.0 ! A.837 at 3.01e+05 assign (resid 91 and name HA ) (resid 94 and name HN ) 3.5 1.2 0.5 ! A.278 at 3.07e+06 ! E92 assign (resid 92 and name HB# ) (resid 92 and name HN ) 2.5 0.7 0.9 ! A.1112 at 2.18e+07 assign (resid 92 and name HG# ) (resid 92 and name HN ) 2.5 0.7 0.9 ! A.1110 at 1.21e+07 assign (resid 92 and name HN ) (resid 93 and name HN ) 2.5 0.7 0.4 ! A.832 at 9.69e+06 assign (resid 92 and name HG# ) (resid 94 and name HN ) 4.0 2.2 1.5 ! A.279 at 1.13e+06 assign (resid 92 and name HG# ) (resid 95 and name HN ) 4.5 2.2 2.5 ! A.821 at 3.26e+05 assign (resid 92 and name HN ) (resid 95 and name HG2 ) 4.5 2.2 2.0 ! A.1116 at 4.65e+05 assign (resid 92 and name HN ) (resid 95 and name HG1 ) 4.5 2.2 2.0 ! A.1115 at 6.39e+05 assign (resid 92 and name HB# ) (resid 95 and name HN ) 4.0 2.2 1.5 ! A.822 at 1.36e+06 ! Q93 assign (resid 93 and name HG1 ) (resid 93 and name HN ) 2.5 0.7 0.4 ! A.838 at 5.73e+06 assign (resid 93 and name HB# ) (resid 93 and name HN ) 2.5 0.7 0.9 ! A.839 at 2.96e+07 assign (resid 93 and name HA ) (resid 93 and name HE22 ) 4.5 2.2 2.0 ! A.1421 at 1.01e+06 assign (resid 93 and name HA ) (resid 93 and name HE21 ) 4.5 2.2 2.0 ! A.1420 at 2.84e+05 assign (resid 93 and name HG1 ) (resid 93 and name HE22 ) 3.5 1.2 0.5 ! A.1399 at 2.57e+06 assign (resid 93 and name HB# ) (resid 93 and name HE22 ) 4.5 2.2 2.5 ! A.1401 at 3.77e+05 assign (resid 93 and name HG1 ) (resid 93 and name HE21 ) 2.5 0.7 0.4 ! A.1422 at 7.98e+06 assign (resid 93 and name HB# ) (resid 93 and name HE21 ) 4.5 2.2 2.5 ! A.1400 at 3.20e+05 assign (resid 93 and name HN ) (resid 94 and name HG ) 4.5 2.2 2.0 ! A.841 at 3.41e+05 assign (resid 93 and name HN ) (resid 94 and name HD2# ) 4.5 2.2 2.5 ! A.844 at 6.33e+05 assign (resid 93 and name HE21 ) (resid 94 and name HD2# ) 4.5 2.2 2.5 ! A.1423 at 2.43e+05 assign (resid 93 and name HN ) (resid 94 and name HN ) 2.5 0.7 0.4 ! A.831 at 9.61e+06 assign (resid 93 and name HA ) (resid 94 and name HN ) 3.5 1.2 0.5 ! A.276 at 3.08e+06 assign (resid 93 and name HN ) (resid 94 and name HB2 ) 4.5 2.2 2.0 ! A.840 at 1.03e+06 assign (resid 93 and name HA ) (resid 95 and name HN ) 4.5 2.2 2.0 ! A.817 at 5.22e+05 assign (resid 93 and name HN ) (resid 96 and name HN ) 4.5 2.2 2.0 ! A.1261 at 8.38e+05 assign (resid 93 and name HG1 ) (resid 96 and name HN ) 4.5 2.2 2.0 ! A.1268 at 2.13e+05 assign (resid 93 and name HA ) (resid 96 and name HN ) 3.5 1.2 0.5 ! A.1264 at 3.17e+06 ! L94 assign (resid 94 and name HB1 ) (resid 94 and name HN ) 3.5 1.2 0.5 ! A.282 at 4.28e+06 assign (resid 94 and name HB2 ) (resid 94 and name HN ) 2.5 0.7 0.4 ! A.284 at 7.62e+06 assign (resid 94 and name HD2# ) (resid 94 and name HN ) 3.5 1.2 1.0 ! A.289 at 4.14e+06 assign (resid 94 and name HG ) (resid 94 and name HN ) 4.5 2.2 2.0 ! A.285 at 9.28e+05 assign (resid 94 and name HN ) (resid 95 and name HN ) 3.5 1.2 0.5 ! A.812 at 4.48e+06 assign (resid 94 and name HD2# ) (resid 95 and name HN ) 4.5 2.2 2.5 ! A.830 at 4.03e+05 assign (resid 94 and name HN ) (resid 95 and name HG2 ) 3.5 1.2 0.5 ! A.286 at 2.94e+06 assign (resid 94 and name HN ) (resid 96 and name HN ) 4.5 2.2 2.0 ! A.275 at 5.86e+05 assign (resid 94 and name HN ) (resid 96 and name HG2# ) 4.5 2.2 2.5 ! A.287 at 3.33e+05 assign (resid 94 and name HD2# ) (resid 97 and name HN ) 4.0 2.2 1.5 ! A.426 at 1.26e+06 assign (resid 94 and name HB2 ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.88 at 1.18e+05 assign (resid 94 and name HA ) (resid 98 and name HN ) 4.0 2.2 1.0 ! A.83 at 1.31e+06 ! K95 assign (resid 95 and name HG2 ) (resid 95 and name HN ) 3.5 1.2 0.5 ! A.828 at 2.52e+06 assign (resid 95 and name HG1 ) (resid 95 and name HN ) 3.5 1.2 0.5 ! A.827 at 2.40e+06 assign (resid 95 and name HD1 ) (resid 95 and name HN ) 3.5 1.2 0.5 ! A.825 at 4.09e+06 assign (resid 95 and name HE1 ) (resid 95 and name HN ) 4.5 2.2 2.0 ! A.820 at 2.79e+05 assign (resid 95 and name HB# ) (resid 95 and name HN ) 2.5 0.7 0.9 ! A.823 at 1.69e+07 assign (resid 95 and name HN ) (resid 96 and name HN ) 2.5 0.7 0.4 ! A.1260 at 5.84e+06 assign (resid 95 and name HN ) (resid 96 and name HB ) 4.5 2.2 2.0 ! A.816 at 3.10e+05 assign (resid 95 and name HE1 ) (resid 96 and name HN ) 4.5 2.2 2.0 ! A.1267 at 1.69e+05 assign (resid 95 and name HG# ) (resid 96 and name HN ) 3.5 1.2 1.0 ! A.1271 at 3.37e+06 assign (resid 95 and name HB1 ) (resid 96 and name HN ) 3.5 1.2 0.5 ! A.1269 at 4.17e+06 assign (resid 95 and name HB2 ) (resid 96 and name HN ) 4.0 2.2 1.0 ! A.1270 at 1.29e+06 assign (resid 95 and name HN ) (resid 97 and name HN ) 4.5 2.2 2.0 ! A.813 at 5.31e+05 assign (resid 95 and name HN ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.811 at 1.13e+05 assign (resid 95 and name HA ) (resid 98 and name HN ) 3.5 1.2 0.5 ! A.83 at 1.81e+06 ! T96 assign (resid 96 and name HB ) (resid 96 and name HN ) 2.5 0.7 0.4 ! A.1263 at 1.14e+07 assign (resid 96 and name HG2# ) (resid 96 and name HN ) 4.5 2.2 2.5 ! A.1272 at 2.73e+05 assign (resid 96 and name HN ) (resid 97 and name HN ) 2.5 0.7 0.4 ! A.415 at 8.61e+06 assign (resid 96 and name HB ) (resid 97 and name HN ) 2.5 0.7 0.4 ! A.416 at 6.03e+06 assign (resid 96 and name HN ) (resid 98 and name HN ) 4.5 2.2 2.0 ! A.1258 at 3.76e+05 assign (resid 96 and name HN ) (resid 98 and name HG11 ) 4.5 2.2 2.0 ! A.1273 at 2.28e+05 assign (resid 96 and name HA ) (resid 99 and name HN ) 3.5 1.2 0.5 ! A.690 at 3.81e+06 ! T97 assign (resid 97 and name HG2# ) (resid 97 and name HN ) 4.0 2.2 1.5 ! A.423 at 1.35e+06 assign (resid 97 and name HB ) (resid 97 and name HN ) 2.5 0.7 0.4 ! A.417 at 1.09e+07 assign (resid 97 and name HN ) (resid 98 and name HN ) 3.5 1.2 0.5 ! A.412 at 4.63e+06 assign (resid 97 and name HN ) (resid 98 and name HG11 ) 4.5 2.2 2.0 ! A.424 at 4.40e+05 assign (resid 97 and name HN ) (resid 98 and name HG2# ) 4.0 2.2 1.5 ! A.425 at 1.40e+06 assign (resid 97 and name HG2# ) (resid 98 and name HN ) 4.0 2.2 1.5 ! A.90 at 1.38e+06 assign (resid 97 and name HA ) (resid 98 and name HN ) 3.5 1.2 0.5 ! A.83 at 2.81e+06 assign (resid 97 and name HB ) (resid 98 and name HN ) 3.5 1.2 0.5 ! A.82 at 4.86e+06 assign (resid 97 and name HA ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.690 at 9.81e+05 assign (resid 97 and name HG2# ) (resid 100 and name HN ) 4.5 2.2 2.5 ! A.608 at 2.68e+05 assign (resid 97 and name HG2# ) (resid 101 and name HN ) 4.5 2.2 2.5 ! A.206 at 7.51e+05 ! I98 assign (resid 98 and name HG11 ) (resid 98 and name HN ) 3.5 1.2 0.5 ! A.91 at 3.14e+06 assign (resid 98 and name HG2# ) (resid 98 and name HN ) 2.5 0.7 0.9 ! A.92 at 7.18e+06 assign (resid 98 and name HB ) (resid 98 and name HN ) 3.5 1.2 0.5 ! A.87 at 3.65e+06 assign (resid 98 and name HN ) (resid 99 and name HN ) 2.5 0.7 0.4 ! A.686 at 5.50e+06 assign (resid 98 and name HN ) (resid 100 and name HB# ) 4.5 2.2 2.5 ! A.89 at 2.36e+05 assign (resid 98 and name HN ) (resid 100 and name HN ) 4.5 2.2 2.0 ! A.597 at 1.81e+05 assign (resid 98 and name HA ) (resid 100 and name HN ) 4.5 2.2 2.0 ! A.603 at 5.30e+05 assign (resid 98 and name HN ) (resid 101 and name HN ) 4.5 2.2 2.0 ! A.185 at 2.26e+05 assign (resid 98 and name HN ) (resid 101 and name HB1 ) 4.5 2.2 2.0 ! A.85 at 2.37e+05 assign (resid 98 and name HG11 ) (resid 101 and name HN ) 4.0 2.2 1.0 ! A.207 at 1.23e+06 assign (resid 98 and name HA ) (resid 101 and name HN ) 3.5 1.2 0.5 ! A.196 at 2.58e+06 assign (resid 98 and name HB ) (resid 101 and name HN ) 4.5 2.2 2.0 ! A.204 at 5.11e+05 assign (resid 98 and name HG11 ) (resid 102 and name HN ) 4.0 2.2 1.0 ! A.1257 at 1.36e+06 assign (resid 98 and name HA ) (resid 102 and name HN ) 4.0 2.2 1.0 ! A.1246 at 1.26e+06 assign (resid 98 and name HB ) (resid 102 and name HN ) 4.5 2.2 2.0 ! A.1254 at 4.97e+05 ! R99 assign (resid 99 and name HB# ) (resid 99 and name HN ) 3.5 1.2 1.0 ! A.692 at 2.73e+06 assign (resid 99 and name HG# ) (resid 99 and name HN ) 3.5 1.2 1.0 ! A.693 at 2.35e+06 assign (resid 99 and name HD# ) (resid 99 and name HN ) 4.5 2.2 2.5 ! A.691 at 8.88e+05 assign (resid 99 and name HN ) (resid 100 and name HN ) 2.5 0.7 0.4 ! A.688 at 8.54e+06 assign (resid 99 and name HB# ) (resid 100 and name HN ) 3.5 1.2 1.0 ! A.456 at 4.18e+06 assign (resid 99 and name HA ) (resid 100 and name HN ) 3.5 1.2 0.5 ! A.452 at 4.19e+06 assign (resid 99 and name HN ) (resid 101 and name HN ) 4.5 2.2 2.0 ! A.189 at 9.32e+05 assign (resid 99 and name HD1 ) (resid 101 and name HN ) 4.5 2.2 2.0 ! A.197 at 2.72e+05 assign (resid 99 and name HB# ) (resid 102 and name HN ) 4.5 2.2 2.5 ! A.1253 at 1.76e+05 assign (resid 99 and name HA ) (resid 102 and name HN ) 3.5 1.2 0.5 ! A.1243 at 3.21e+06 assign (resid 99 and name HN ) (resid 102 and name HN ) 4.5 2.2 2.0 ! A.687 at 8.87e+05 assign (resid 99 and name HA ) (resid 102 and name HD21 ) 4.0 2.2 1.0 ! A.1449 at 1.54e+06 assign (resid 99 and name HD2 ) (resid 103 and name HE22 ) 4.5 2.2 2.0 ! A.1429 at 3.26e+05 assign (resid 99 and name HD1 ) (resid 103 and name HE22 ) 4.5 2.2 2.0 ! A.1428 at 2.71e+05 assign (resid 99 and name HD2 ) (resid 103 and name HE21 ) 4.5 2.2 2.0 ! A.1427 at 2.41e+05 assign (resid 99 and name HD1 ) (resid 104 and name HN ) 4.5 2.2 2.0 ! A.676 at 1.90e+05 ! A100 assign (resid 100 and name HN ) (resid 101 and name HN ) 3.5 1.2 0.5 ! A.599 at 4.35e+06 assign (resid 100 and name HB# ) (resid 101 and name HN ) 2.5 0.7 0.9 ! A.205 at 8.70e+06 assign (resid 100 and name HN ) (resid 102 and name HN ) 4.5 2.2 2.0 ! A.1233 at 6.67e+05 assign (resid 100 and name HA ) (resid 102 and name HN ) 4.5 2.2 2.0 ! A.1245 at 5.24e+05 assign (resid 100 and name HB# ) (resid 102 and name HN ) 4.5 2.2 2.5 ! A.1256 at 1.03e+06 assign (resid 100 and name HB# ) (resid 103 and name HN ) 4.5 2.2 2.5 ! A.890 at 4.44e+05 assign (resid 100 and name HA ) (resid 103 and name HE21 ) 4.5 2.2 2.0 ! A.1425 at 5.23e+05 assign (resid 100 and name HN ) (resid 104 and name HN ) 4.5 2.2 2.0 ! A.600 at 2.12e+05 ! Y101 assign (resid 101 and name HB1 ) (resid 101 and name HN ) 2.5 0.7 0.4 ! A.199 at 9.01e+06 assign (resid 101 and name HD1 ) (resid 101 and name HN ) 4.0 2.2 1.0 ! A.191 at 1.33e+06 assign (resid 101 and name HE1 ) (resid 102 and name HN ) 4.5 2.2 2.0 ! A.1241 at 3.30e+05 assign (resid 101 and name HD1 ) (resid 102 and name HN ) 4.5 2.2 2.0 ! A.1240 at 1.06e+06 assign (resid 101 and name HE1 ) (resid 102 and name HD21 ) 4.5 2.2 2.0 ! A.1447 at 3.95e+05 assign (resid 101 and name HN ) (resid 103 and name HB1 ) 4.5 2.2 2.0 ! A.202 at 2.91e+05 assign (resid 101 and name HD1 ) (resid 103 and name HN ) 4.5 2.2 2.0 ! A.880 at 2.54e+05 assign (resid 101 and name HD1 ) (resid 104 and name HN ) 4.5 2.2 2.0 ! A.674 at 2.77e+05 assign (resid 101 and name HN ) (resid 104 and name HN ) 4.5 2.2 2.0 ! A.670 at 3.71e+05 assign (resid 101 and name HA ) (resid 104 and name HN ) 3.5 1.2 0.5 ! A.632 at 2.47e+06 assign (resid 101 and name HN ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1193 at 3.47e+05 assign (resid 101 and name HD1 ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1197 at 2.78e+05 ! N102 assign (resid 102 and name HB2 ) (resid 102 and name HN ) 2.5 0.7 0.4 ! A.1249 at 1.04e+07 assign (resid 102 and name HB1 ) (resid 102 and name HN ) 2.5 0.7 0.4 ! A.1248 at 1.14e+07 assign (resid 102 and name HD21 ) (resid 102 and name HN ) 4.0 2.2 1.0 ! A.1237 at 1.56e+06 assign (resid 102 and name HD22 ) (resid 102 and name HN ) 4.5 2.2 2.0 ! A.1239 at 6.48e+05 assign (resid 102 and name HB2 ) (resid 102 and name HD21 ) 3.5 1.2 0.5 ! A.1454 at 3.60e+06 assign (resid 102 and name HB1 ) (resid 102 and name HD22 ) 3.5 1.2 0.5 ! A.1452 at 3.28e+06 assign (resid 102 and name HB1 ) (resid 102 and name HD21 ) 3.5 1.2 0.5 ! A.1451 at 4.26e+06 assign (resid 102 and name HA ) (resid 102 and name HD21 ) 4.5 2.2 2.0 ! A.1448 at 2.12e+05 assign (resid 102 and name HB2 ) (resid 102 and name HD22 ) 3.5 1.2 0.5 ! A.1440 at 3.04e+06 assign (resid 102 and name HA ) (resid 103 and name HN ) 4.5 2.2 2.0 ! A.881 at 6.13e+05 assign (resid 102 and name HN ) (resid 103 and name HB2 ) 4.5 2.2 2.0 ! A.1252 at 1.04e+06 assign (resid 102 and name HN ) (resid 103 and name HN ) 2.5 0.7 0.4 ! A.1232 at 5.20e+07 assign (resid 102 and name HN ) (resid 103 and name HB1 ) 4.5 2.2 2.0 ! A.1251 at 5.36e+05 assign (resid 102 and name HD21 ) (resid 103 and name HN ) 4.5 2.2 2.0 ! A.1445 at 1.91e+05 assign (resid 102 and name HB2 ) (resid 103 and name HN ) 3.5 1.2 0.5 ! A.886 at 3.19e+06 assign (resid 102 and name HB1 ) (resid 103 and name HN ) 3.5 1.2 0.5 ! A.859 at 3.74e+06 assign (resid 102 and name HN ) (resid 104 and name HN ) 3.5 1.2 0.5 ! A.669 at 2.56e+06 assign (resid 102 and name HN ) (resid 104 and name HB1 ) 4.5 2.2 2.0 ! A.1255 at 1.26e+05 assign (resid 102 and name HA ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1198 at 1.62e+05 assign (resid 102 and name HB1 ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1204 at 1.39e+05 assign (resid 102 and name HN ) (resid 105 and name HB2 ) 4.5 2.2 2.0 ! A.1250 at 3.08e+05 assign (resid 102 and name HN ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1238 at 3.38e+05 assign (resid 102 and name HD21 ) (resid 105 and name HB2 ) 4.5 2.2 2.0 ! A.1455 at 2.31e+05 assign (resid 102 and name HA ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1320 at 2.50e+05 assign (resid 102 and name HN ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1315 at 2.62e+05 assign (resid 102 and name HD21 ) (resid 106 and name HA1 ) 4.5 2.2 2.0 ! A.1450 at 1.25e+05 assign (resid 102 and name HB1 ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1326 at 3.20e+05 ! Q103 assign (resid 103 and name HB1 ) (resid 103 and name HN ) 2.5 0.7 0.4 ! A.888 at 1.18e+07 assign (resid 103 and name HE21 ) (resid 103 and name HN ) 4.5 2.2 2.0 ! A.878 at 5.58e+05 assign (resid 103 and name HG# ) (resid 103 and name HN ) 3.5 1.2 1.0 ! A.887 at 1.92e+06 assign (resid 103 and name HG1 ) (resid 103 and name HE21 ) 3.5 1.2 0.5 ! A.1398 at 1.81e+06 assign (resid 103 and name HG2 ) (resid 103 and name HE22 ) 4.5 2.2 2.0 ! A.1399 at 5.70e+05 assign (resid 103 and name HB2 ) (resid 103 and name HE22 ) 4.5 2.2 2.0 ! A.1411 at 4.92e+05 assign (resid 103 and name HG2 ) (resid 103 and name HE21 ) 2.5 0.7 0.4 ! A.1422 at 7.98e+06 assign (resid 103 and name HB2 ) (resid 103 and name HE21 ) 4.5 2.2 2.0 ! A.1400 at 3.20e+05 assign (resid 103 and name HB1 ) (resid 103 and name HE21 ) 3.5 1.2 0.5 ! A.1430 at 2.20e+06 assign (resid 103 and name HN ) (resid 104 and name HN ) 2.5 0.7 0.4 ! A.669 at 6.56e+06 assign (resid 103 and name HE21 ) (resid 104 and name HA ) 4.5 2.2 2.0 ! A.1426 at 1.79e+05 assign (resid 103 and name HG# ) (resid 104 and name HN ) 4.5 2.2 2.5 ! A.639 at 5.13e+05 assign (resid 103 and name HA ) (resid 104 and name HN ) 4.0 2.2 1.0 ! A.632 at 1.65e+06 assign (resid 103 and name HN ) (resid 104 and name HB# ) 3.5 1.2 1.0 ! A.889 at 2.43e+06 assign (resid 103 and name HN ) (resid 104 and name HA ) 4.5 2.2 2.0 ! A.884 at 4.33e+05 assign (resid 103 and name HG2 ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1208 at 4.17e+05 assign (resid 103 and name HG1 ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1207 at 3.61e+05 assign (resid 103 and name HB1 ) (resid 105 and name HN ) 4.0 2.2 1.0 ! A.1209 at 1.11e+06 assign (resid 103 and name HB2 ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1210 at 2.50e+05 assign (resid 103 and name HA ) (resid 105 and name HN ) 4.0 2.2 1.0 ! A.1200 at 1.16e+06 assign (resid 103 and name HN ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1192 at 4.49e+05 assign (resid 103 and name HN ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1316 at 1.34e+05 assign (resid 103 and name HB2 ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1330 at 2.91e+05 assign (resid 103 and name HB1 ) (resid 106 and name HN ) 4.0 2.2 1.0 ! A.1329 at 1.14e+06 assign (resid 103 and name HA ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1322 at 5.40e+05 ! K104 assign (resid 104 and name HG2 ) (resid 104 and name HN ) 4.5 2.2 2.0 ! A.681 at 1.05e+06 assign (resid 104 and name HG1 ) (resid 104 and name HN ) 4.0 2.2 1.0 ! A.680 at 1.42e+06 assign (resid 104 and name HD# ) (resid 104 and name HN ) 4.5 2.2 2.5 ! A.679 at 5.69e+05 assign (resid 104 and name HB# ) (resid 104 and name HN ) 2.5 0.7 0.9 ! A.678 at 1.89e+07 assign (resid 104 and name HN ) (resid 105 and name HN ) 2.5 0.7 0.4 ! A.1194 at 6.18e+06 assign (resid 104 and name HB2 ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1212 at 2.17e+05 assign (resid 104 and name HG1 ) (resid 105 and name HN ) 4.0 2.2 1.0 ! A.1214 at 1.14e+06 assign (resid 104 and name HB1 ) (resid 105 and name HN ) 2.5 0.7 0.4 ! A.1211 at 5.38e+06 assign (resid 104 and name HG2 ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.1215 at 9.05e+05 assign (resid 104 and name HA ) (resid 105 and name HN ) 3.5 1.2 0.5 ! A.1201 at 2.05e+06 assign (resid 104 and name HD# ) (resid 105 and name HN ) 4.5 2.2 2.5 ! A.1213 at 7.16e+05 assign (resid 104 and name HN ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.672 at 7.50e+05 assign (resid 104 and name HG2 ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1333 at 5.41e+05 assign (resid 104 and name HG1 ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1332 at 4.87e+05 assign (resid 104 and name HB1 ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1331 at 7.20e+05 ! Y105 assign (resid 105 and name HB1 ) (resid 105 and name HN ) 3.5 1.2 0.5 ! A.1203 at 3.41e+06 assign (resid 105 and name HB2 ) (resid 105 and name HN ) 2.5 1.2 0.5 ! A.1206 at 5.94e+06 assign (resid 105 and name HD1 ) (resid 105 and name HN ) 4.0 1.2 0.5 ! A.1196 at 4.77e+06 assign (resid 105 and name HN ) (resid 106 and name HA2 ) 4.5 2.2 2.0 ! A.1202 at 2.39e+05 assign (resid 105 and name HN ) (resid 106 and name HN ) 2.5 0.7 0.4 ! A.1318 at 1.06e+07 assign (resid 105 and name HB1 ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1325 at 5.32e+05 assign (resid 105 and name HD1 ) (resid 106 and name HN ) 4.5 2.2 2.0 ! A.1319 at 8.04e+05 assign (resid 105 and name HA ) (resid 106 and name HN ) 3.5 1.2 0.5 ! A.1321 at 3.07e+06 assign (resid 105 and name HB2 ) (resid 106 and name HN ) 4.0 2.2 1.0 ! A.1327 at 1.34e+06 ! G106 !@ END_XPLR_NOE_FILE ! pck2xplr.nawk Table; Input File: gdN_cnoeC.PCK ! Date: Tue Jul 1 16:32:59 EDT 2003 ! Path: /home/fengh/My_xplor/gd7_N ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A gdN_cnoeC.PCK 213 44 51 77 41 ! Total 213 44 51 77 41 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! A1 ! D2 ! L3 assign (resid 3 and name HG ) (resid 4 and name HG# ) 4.0 2.2 1.5 ! A.286 at 2.83e+06 assign (resid 3 and name HD1# ) (resid 4 and name HG# ) 4.0 2.2 2.0 ! A.444 at 3.04e+06 assign (resid 3 and name HG ) (resid 4 and name HB# ) 4.0 2.2 1.5 ! A.397 at 2.41e+06 ! E4 ! D5 ! N6 ! D7 ! E8 assign (resid 8 and name HG# ) (resid 8 and name HA ) 2.5 0.7 0.9 ! A.51 at 8.31e+06 assign (resid 8 and name HG# ) (resid 9 and name HA ) 4.5 2.2 2.5 ! A.284 at 1.39e+06 ! T9 assign (resid 9 and name HA ) (resid 9 and name HG2# ) 4.0 2.2 1.5 ! A.419 at 2.12e+06 ! G10 ! N11 ! D12 ! N13 ! G14 ! K15 assign (resid 15 and name HE1 ) (resid 15 and name HB# ) 2.5 0.7 0.9 ! A.345 at 1.82e+08 ! G16 ! G17 ! E18 ! K19 assign (resid 19 and name HG1 ) (resid 21 and name HA ) 4.0 2.2 1.0 ! A.16 at 2.99e+06 ! A20 assign (resid 20 and name HA ) (resid 21 and name HA ) 4.5 2.2 2.0 ! A.15 at 1.08e+06 assign (resid 20 and name HB# ) (resid 25 and name HB# ) 4.0 2.2 2.0 ! A.409 at 3.05e+06 ! D21 ! N22 assign (resid 22 and name HA ) (resid 26 and name HG2# ) 4.5 2.2 2.5 ! A.20 at 6.99e+05 assign (resid 22 and name HA ) (resid 84 and name HG1# ) 4.0 2.2 1.5 ! A.19 at 3.02e+06 ! A23 assign (resid 23 and name HA ) (resid 84 and name HG1# ) 2.5 0.7 0.9 ! A.427 at 1.40e+07 assign (resid 23 and name HA ) (resid 84 and name HA ) 4.0 2.2 1.0 ! A.196 at 2.51e+06 ! A24 ! Q25 assign (resid 25 and name HB# ) (resid 26 and name HA ) 4.0 2.2 1.5 ! A.300 at 1.92e+06 ! V26 assign (resid 26 and name HG1# ) (resid 27 and name HB# ) 2.5 0.7 1.4 ! A.358 at 2.55e+07 assign (resid 26 and name HB ) (resid 79 and name HB# ) 4.0 2.2 1.5 ! A.306 at 2.54e+06 assign (resid 26 and name HA ) (resid 84 and name HG1# ) 3.5 1.2 1.0 ! A.426 at 3.61e+06 assign (resid 26 and name HB ) (resid 84 and name HG2# ) 2.5 0.7 0.9 ! A.447 at 3.09e+07 assign (resid 26 and name HB ) (resid 87 and name HB# ) 4.5 2.2 2.5 ! A.384 at 1.10e+06 ! K27 assign (resid 27 and name HA ) (resid 76 and name HD1# ) 3.5 1.2 1.0 ! A.430 at 4.45e+06 assign (resid 27 and name HB# ) (resid 76 and name HD1# ) 3.5 1.2 1.5 ! A.434 at 4.61e+06 ! D28 assign (resid 28 and name HB# ) (resid 29 and name HA ) 4.5 2.2 2.5 ! A.97 at 1.15e+06 ! A29 ! L30 assign (resid 30 and name HD1# ) (resid 30 and name HB# ) 2.5 0.7 1.4 ! A.312 at 5.29e+07 assign (resid 30 and name HD2# ) (resid 30 and name HA ) 3.5 1.2 1.0 ! A.86 at 5.49e+06 assign (resid 30 and name HA ) (resid 72 and name HA ) 4.5 2.2 2.0 ! A.165 at 2.36e+05 assign (resid 30 and name HB# ) (resid 72 and name HA ) 4.5 2.2 2.5 ! A.167 at 4.42e+05 assign (resid 30 and name HB# ) (resid 76 and name HD1# ) 2.5 0.7 1.4 ! A.311 at 2.19e+07 assign (resid 30 and name HD1# ) (resid 76 and name HD1# ) 2.5 0.7 1.4 ! A.435 at 4.97e+08 assign (resid 30 and name HD1# ) (resid 79 and name HB# ) 3.5 1.2 1.5 ! A.440 at 4.79e+06 ! T31 assign (resid 31 and name HA ) (resid 34 and name HB1 ) 3.5 1.2 0.5 ! A.153 at 5.58e+06 !assign (resid 31 and name HA ) (resid 35 and name HA ) 4.0 2.2 1.0 ! A.107 at 1.85e+06 ! K32 assign (resid 32 and name HE1 ) (resid 33 and name HA ) 4.0 2.2 1.0 ! A.221 at 1.62e+06 assign (resid 32 and name HE1 ) (resid 36 and name HA ) 4.5 2.2 2.0 ! A.222 at 6.75e+05 ! M33 ! R34 assign (resid 34 and name HG1 ) (resid 69 and name HG1# ) 2.5 0.7 0.9 ! A.429 at 1.53e+07 assign (resid 34 and name HG1 ) (resid 69 and name HA ) 4.5 2.2 2.0 ! A.185 at 6.22e+05 assign (resid 34 and name HG1 ) (resid 72 and name HG2# ) 2.5 0.7 0.9 ! A.344 at 3.11e+07 ! A35 assign (resid 35 and name HB# ) (resid 39 and name HB2 ) 4.5 2.2 2.5 ! A.265 at 1.41e+06 ! A36 ! A37 assign (resid 37 and name HA ) (resid 65 and name HB2 ) 4.0 2.2 1.0 ! A.260 at 1.76e+06 ! L38 assign (resid 38 and name HA ) (resid 38 and name HG ) 2.5 0.7 0.4 ! A.407 at 7.29e+06 assign (resid 38 and name HB# ) (resid 39 and name HB2 ) 4.5 2.2 2.5 ! A.263 at 1.21e+06 assign (resid 38 and name HB# ) (resid 40 and name HA ) 4.5 2.2 2.5 ! A.322 at 4.24e+05 ! D39 assign (resid 39 and name HB1 ) (resid 43 and name HB# ) 4.5 2.2 2.5 ! A.255 at 1.13e+06 assign (resid 39 and name HB2 ) (resid 43 and name HB# ) 4.5 2.2 2.5 ! A.264 at 8.02e+05 assign (resid 39 and name HB1 ) (resid 44 and name HB ) 4.0 2.2 1.0 ! A.254 at 1.95e+06 ! A40 assign (resid 40 and name HB# ) (resid 41 and name HB1 ) 4.0 2.2 1.5 ! A.324 at 2.32e+06 ! Q41 assign (resid 41 and name HA ) (resid 41 and name HG2 ) 3.5 1.2 0.5 ! A.292 at 6.06e+06 assign (resid 41 and name HA ) (resid 42 and name HG1 ) 4.5 2.2 2.0 ! A.402 at 1.09e+06 assign (resid 41 and name HG2 ) (resid 42 and name HE1 ) 2.5 0.7 0.4 ! A.293 at 1.36e+07 assign (resid 41 and name HG1 ) (resid 42 and name HD1 ) 4.0 2.2 1.0 ! A.371 at 2.55e+06 assign (resid 41 and name HA ) (resid 65 and name HB2 ) 4.5 2.2 2.0 ! A.173 at 6.56e+05 assign (resid 41 and name HB1 ) (resid 65 and name HB2 ) 4.0 2.2 1.0 ! A.323 at 2.59e+06 assign (resid 41 and name HB2 ) (resid 65 and name HB1 ) 3.5 1.2 0.5 ! A.394 at 4.41e+06 ! K42 assign (resid 42 and name HA ) (resid 42 and name HE1 ) 4.0 2.2 1.0 ! A.216 at 2.42e+06 assign (resid 42 and name HA ) (resid 45 and name HD2 ) 4.5 2.2 2.0 ! A.66 at 5.23e+05 ! A43 ! T44 assign (resid 44 and name HA ) (resid 45 and name HA ) 4.0 2.2 1.0 ! A.129 at 2.60e+06 assign (resid 44 and name HA ) (resid 46 and name HD1 ) 4.0 2.2 1.0 ! A.130 at 1.81e+06 ! P45 assign (resid 45 and name HD2 ) (resid 45 and name HB1 ) 4.5 2.2 2.0 ! A.283 at 2.66e+05 assign (resid 45 and name HB1 ) (resid 45 and name HD1 ) 4.5 2.2 2.0 ! A.147 at 1.34e+06 assign (resid 45 and name HA ) (resid 46 and name HA ) 4.5 2.2 2.0 ! A.44 at 1.47e+06 assign (resid 45 and name HA ) (resid 46 and name HD1 ) 2.5 0.7 0.4 ! A.45 at 1.20e+07 ! P46 assign (resid 46 and name HD1 ) (resid 48 and name HD1# ) 4.5 2.2 2.5 ! A.452 at 5.74e+05 ! K47 assign (resid 47 and name HB1 ) (resid 105 and name HB1 ) 4.0 2.2 1.0 ! A.207 at 3.08e+06 assign (resid 47 and name HE1 ) (resid 106 and name HA1 ) 4.0 2.2 1.0 ! A.224 at 2.80e+06 assign (resid 47 and name HE1 ) (resid 106 and name HA2 ) 2.5 0.7 0.4 ! A.155 at 2.43e+07 ! L48 assign (resid 48 and name HA ) (resid 48 and name HD1# ) 4.0 2.2 1.5 ! A.451 at 2.46e+06 assign (resid 48 and name HA ) (resid 48 and name HD2# ) 4.5 2.2 2.5 ! A.466 at 2.80e+05 assign (resid 48 and name HA ) (resid 51 and name HG2 ) 3.5 1.2 0.5 ! A.31 at 4.82e+06 assign (resid 48 and name HB1 ) (resid 52 and name HA ) 4.0 2.2 1.0 ! A.3 at 2.23e+06 assign (resid 48 and name HB1 ) (resid 57 and name HG# ) 3.5 1.2 1.0 ! A.365 at 4.54e+06 assign (resid 48 and name HD2# ) (resid 57 and name HB2 ) 4.5 2.2 2.5 ! A.330 at 6.68e+05 assign (resid 48 and name HD1# ) (resid 61 and name HB1 ) 4.5 2.2 2.5 ! A.206 at 7.74e+05 assign (resid 48 and name HD2# ) (resid 105 and name HB1 ) 4.5 2.2 2.5 ! A.467 at 1.18e+06 ! E49 assign (resid 49 and name HA ) (resid 50 and name HA ) 4.0 2.2 1.0 ! A.25 at 2.20e+06 assign (resid 49 and name HB# ) (resid 50 and name HB# ) 2.5 0.7 1.4 ! A.250 at 1.07e+07 ! D50 ! K51 assign (resid 51 and name HB# ) (resid 55 and name HB1 ) 4.5 2.2 2.5 ! A.332 at 7.21e+05 ! S52 assign (resid 52 and name HB1 ) (resid 53 and name HA ) 4.5 2.2 2.0 ! A.82 at 6.54e+05 assign (resid 52 and name HA ) (resid 54 and name HB1 ) 4.5 2.2 2.0 ! A.252 at 1.37e+06 assign (resid 52 and name HA ) (resid 58 and name HG1 ) 4.5 2.2 2.0 ! A.244 at 1.18e+06 ! P53 ! D54 ! S55 assign (resid 55 and name HB2 ) (resid 56 and name HB1 ) 4.5 2.2 2.0 ! A.128 at 1.20e+06 ! P56 assign (resid 56 and name HA ) (resid 59 and name HE1 ) 4.0 2.2 1.0 ! A.218 at 2.42e+06 assign (resid 56 and name HA ) (resid 59 and name HG1 ) 2.5 0.7 0.4 ! A.68 at 1.07e+07 ! E57 assign (resid 57 and name HG# ) (resid 58 and name HG1 ) 2.5 0.7 0.9 ! A.280 at 1.67e+07 assign (resid 57 and name HG# ) (resid 60 and name HB1 ) 3.5 1.2 1.0 ! A.279 at 5.01e+06 ! M58 assign (resid 58 and name HA ) (resid 61 and name HA ) 4.5 2.2 2.0 ! A.8 at 1.27e+06 assign (resid 58 and name HB1 ) (resid 61 and name HB1 ) 4.0 1.2 0.5 ! A.299 at 1.86e+06 assign (resid 58 and name HG2 ) (resid 61 and name HB1 ) 4.5 2.2 2.0 ! A.204 at 2.57e+05 ! K59 assign (resid 59 and name HA ) (resid 60 and name HA ) 4.5 2.2 2.0 ! A.30 at 1.14e+06 assign (resid 59 and name HA ) (resid 61 and name HB1 ) 4.5 2.2 2.0 ! A.116 at 6.89e+05 assign (resid 59 and name HA ) (resid 63 and name HB1 ) 4.0 2.2 1.0 ! A.188 at 2.04e+06 ! D60 assign (resid 60 and name HB2 ) (resid 63 and name HB2 ) 4.5 2.2 2.0 ! A.251 at 8.08e+05 ! F61 assign (resid 61 and name HA ) (resid 62 and name HA ) 4.5 2.2 2.0 ! A.149 at 1.29e+06 assign (resid 61 and name HA ) (resid 64 and name HA2 ) 4.5 2.2 2.0 ! A.55 at 8.19e+05 ! R62 assign (resid 62 and name HA ) (resid 62 and name HD2 ) 4.5 2.2 2.0 ! A.201 at 1.34e+06 assign (resid 62 and name HA ) (resid 62 and name HD1 ) 4.5 2.2 2.0 ! A.192 at 8.43e+05 assign (resid 62 and name HD1 ) (resid 62 and name HB# ) 2.5 0.7 0.9 ! A.325 at 9.33e+06 assign (resid 62 and name HA ) (resid 66 and name HA ) 4.5 2.2 2.0 ! A.35 at 8.02e+05 assign (resid 62 and name HB# ) (resid 66 and name HB1 ) 4.5 2.2 2.5 ! A.237 at 5.04e+05 ! H63 assign (resid 63 and name HB2 ) (resid 66 and name HB1 ) 4.0 1.2 0.5 ! A.191 at 2.17e+06 assign (resid 63 and name HA ) (resid 67 and name HG11 ) 4.5 2.2 2.0 ! A.23 at 9.98e+05 assign (resid 63 and name HA ) (resid 67 and name HB ) 4.5 2.2 2.0 ! A.350 at 1.05e+06 assign (resid 63 and name HB1 ) (resid 67 and name HG11 ) 4.5 2.2 2.0 ! A.423 at 1.04e+06 ! G64 assign (resid 64 and name HA2 ) (resid 67 and name HG11 ) 4.0 2.2 1.0 ! A.421 at 1.58e+06 assign (resid 64 and name HA2 ) (resid 67 and name HG2# ) 4.0 2.2 1.5 ! A.457 at 2.65e+06 assign (resid 64 and name HA1 ) (resid 67 and name HB ) 3.5 1.2 0.5 ! A.352 at 4.42e+06 assign (resid 64 and name HA2 ) (resid 67 and name HB ) 3.5 1.2 0.5 ! A.180 at 4.69e+06 assign (resid 64 and name HA1 ) (resid 67 and name HG11 ) 4.0 2.2 1.0 ! A.105 at 1.97e+06 assign (resid 64 and name HA2 ) (resid 67 and name HG12 ) 4.0 2.2 1.0 ! A.181 at 2.59e+06 assign (resid 64 and name HA1 ) (resid 68 and name HD1# ) 3.5 1.2 1.0 ! A.460 at 3.89e+06 assign (resid 64 and name HA1 ) (resid 68 and name HD2# ) 4.5 2.2 2.5 ! A.470 at 5.39e+05 assign (resid 64 and name HA2 ) (resid 68 and name HB# ) 4.5 2.2 2.5 ! A.179 at 7.14e+05 ! F65 assign (resid 65 and name HA ) (resid 68 and name HD1# ) 4.5 2.2 2.5 ! A.459 at 1.43e+06 assign (resid 65 and name HA ) (resid 68 and name HD2# ) 4.5 2.2 2.5 ! A.469 at 5.20e+05 ! D66 assign (resid 66 and name HB2 ) (resid 67 and name HA ) 4.5 2.2 2.0 ! A.258 at 5.08e+05 assign (resid 66 and name HA ) (resid 69 and name HG2# ) 3.5 1.2 1.0 ! A.446 at 3.51e+06 assign (resid 66 and name HA ) (resid 70 and name HA# ) 4.5 2.2 2.5 ! A.36 at 1.21e+06 ! I67 assign (resid 67 and name HA ) (resid 67 and name HG2# ) 4.5 2.2 2.5 ! A.456 at 3.36e+05 assign (resid 67 and name HG12 ) (resid 67 and name HA ) 4.0 2.2 1.0 ! A.162 at 2.53e+06 assign (resid 67 and name HG11 ) (resid 67 and name HA ) 4.0 2.2 1.0 ! A.161 at 2.92e+06 assign (resid 67 and name HB ) (resid 68 and name HB# ) 3.5 0.7 0.9 ! A.347 at 3.56e+06 assign (resid 67 and name HG2# ) (resid 68 and name HA ) 4.5 2.2 2.5 ! A.114 at 2.55e+05 assign (resid 67 and name HA ) (resid 69 and name HG2# ) 4.5 2.2 2.5 ! A.163 at 1.09e+06 assign (resid 67 and name HG2# ) (resid 97 and name HB ) 4.5 2.2 2.5 ! A.455 at 8.40e+05 assign (resid 67 and name HB ) (resid 97 and name HG2# ) 4.0 2.2 1.5 ! A.356 at 3.43e+06 ! L68 assign (resid 68 and name HA ) (resid 68 and name HG ) 2.5 0.7 0.4 ! A.406 at 6.68e+06 assign (resid 68 and name HB# ) (resid 68 and name HD2# ) 3.5 1.2 1.5 ! A.471 at 4.36e+06 assign (resid 68 and name HD2# ) (resid 68 and name HA ) 2.5 0.7 0.9 ! A.113 at 8.32e+06 assign (resid 68 and name HB# ) (resid 69 and name HA ) 4.5 2.2 2.5 ! A.183 at 7.89e+05 assign (resid 68 and name HB# ) (resid 69 and name HG1# ) 4.5 2.2 3.0 ! A.428 at 1.08e+06 assign (resid 68 and name HG ) (resid 69 and name HA ) 4.5 2.2 2.0 ! A.186 at 7.37e+05 assign (resid 68 and name HD2# ) (resid 98 and name HB ) 4.5 2.2 2.5 ! A.472 at 8.57e+05 assign (resid 68 and name HB# ) (resid 98 and name HG2# ) 3.5 1.2 1.5 ! A.348 at 4.14e+06 assign (resid 68 and name HD1# ) (resid 101 and name HB1 ) 4.5 2.2 2.5 ! A.461 at 1.29e+06 ! V69 assign (resid 69 and name HA ) (resid 70 and name HA# ) 4.5 2.2 2.5 ! A.182 at 8.32e+05 assign (resid 69 and name HB ) (resid 70 and name HA# ) 4.0 2.2 1.5 ! A.303 at 1.54e+06 assign (resid 69 and name HA ) (resid 72 and name HB ) 4.0 2.2 1.0 ! A.305 at 1.73e+06 assign (resid 69 and name HA ) (resid 72 and name HG2# ) 3.5 1.2 1.0 ! A.187 at 5.37e+06 assign (resid 69 and name HA ) (resid 73 and name HB1 ) 4.5 2.2 2.0 ! A.228 at 4.71e+05 assign (resid 69 and name HA ) (resid 73 and name HA ) 4.5 2.2 2.0 ! A.28 at 8.24e+05 ! G70 assign (resid 70 and name HA# ) (resid 73 and name HB2 ) 3.5 1.2 1.0 ! A.257 at 3.53e+06 ! Q71 !assign (resid 71 and name HA ) (resid 72 and name HB ) 4.0 2.2 1.0 ! A.76 at 2.81e+06 assign (resid 71 and name HG2 ) (resid 94 and name HD1# ) 3.5 1.2 1.0 ! A.278 at 6.35e+06 assign (resid 71 and name HG2 ) (resid 97 and name HB ) 4.5 2.2 2.0 ! A.277 at 1.98e+05 ! I72 assign (resid 72 and name HD1# ) (resid 72 and name HA ) 3.5 1.2 1.0 ! A.170 at 4.14e+06 assign (resid 72 and name HG2# ) (resid 72 and name HA ) 4.0 2.2 1.5 ! A.171 at 3.24e+06 assign (resid 72 and name HB ) (resid 75 and name HB# ) 4.0 2.2 1.5 ! A.376 at 2.49e+06 assign (resid 72 and name HA ) (resid 75 and name HB# ) 4.0 2.2 1.5 ! A.172 at 1.59e+06 ! D73 assign (resid 73 and name HA ) (resid 76 and name HB1 ) 3.5 1.2 0.5 ! A.29 at 3.71e+06 ! D74 assign (resid 74 and name HB1 ) (resid 75 and name HA ) 3.5 1.2 0.5 ! A.241 at 4.26e+06 !assign (resid 74 and name HA ) (resid 77 and name HA ) 4.0 2.2 1.0 ! A.98 at 1.62e+06 ! A75 assign (resid 75 and name HB# ) (resid 76 and name HB1 ) 4.0 2.2 1.5 ! A.374 at 3.03e+06 assign (resid 75 and name HA ) (resid 78 and name HB1 ) 3.5 1.2 0.5 ! A.289 at 3.62e+06 ! L76 assign (resid 76 and name HA ) (resid 76 and name HD1# ) 2.5 0.7 0.9 ! A.431 at 9.95e+06 assign (resid 76 and name HA ) (resid 76 and name HD2# ) 4.0 2.2 1.5 ! A.454 at 2.79e+06 assign (resid 76 and name HB1 ) (resid 76 and name HD1# ) 2.5 0.7 0.9 ! A.433 at 1.02e+07 assign (resid 76 and name HG ) (resid 76 and name HA ) 3.5 1.2 0.5 ! A.131 at 3.83e+06 assign (resid 76 and name HA ) (resid 79 and name HB# ) 4.0 2.2 1.5 ! A.412 at 2.86e+06 assign (resid 76 and name HG ) (resid 79 and name HB# ) 2.5 0.7 0.9 ! A.387 at 4.55e+07 ! K77 assign (resid 77 and name HE1 ) (resid 77 and name HA ) 2.5 0.7 0.4 ! A.100 at 1.45e+07 assign (resid 77 and name HB1 ) (resid 77 and name HE1 ) 3.5 1.2 0.5 ! A.227 at 4.25e+06 assign (resid 77 and name HA ) (resid 80 and name HB1 ) 3.5 1.2 0.5 ! A.229 at 4.91e+06 assign (resid 77 and name HA ) (resid 81 and name HA ) 4.5 2.2 2.0 ! A.99 at 1.23e+06 ! L78 assign (resid 78 and name HB2 ) (resid 87 and name HA ) 4.5 2.2 2.0 ! A.341 at 7.29e+05 assign (resid 78 and name HB1 ) (resid 87 and name HA ) 3.5 1.2 0.5 ! A.110 at 4.82e+06 assign (resid 78 and name HB2 ) (resid 90 and name HB# ) 3.5 0.7 0.9 ! A.381 at 3.55e+06 ! A79 ! N80 ! E81 assign (resid 81 and name HG1 ) (resid 82 and name HA2 ) 4.5 2.2 2.0 ! A.266 at 8.54e+04 assign (resid 81 and name HB1 ) (resid 82 and name HA1 ) 4.0 1.2 0.5 ! A.47 at 3.88e+06 ! G82 ! K83 assign (resid 83 and name HA ) (resid 83 and name HG1 ) 3.5 1.2 0.5 ! A.410 at 4.14e+06 assign (resid 83 and name HD1 ) (resid 83 and name HB2 ) 4.5 2.2 2.0 ! A.361 at 1.20e+09 assign (resid 83 and name HD1 ) (resid 84 and name HA ) 4.5 2.2 2.0 ! A.197 at 1.19e+06 assign (resid 83 and name HE1 ) (resid 85 and name HG# ) 3.5 1.2 1.0 ! A.226 at 6.10e+06 ! V84 assign (resid 84 and name HA ) (resid 85 and name HG# ) 4.5 2.2 2.5 ! A.198 at 7.75e+05 assign (resid 84 and name HA ) (resid 87 and name HB# ) 4.0 2.2 1.5 ! A.382 at 1.54e+06 assign (resid 84 and name HA ) (resid 87 and name HA ) 4.5 2.2 2.0 ! A.195 at 1.12e+06 ! K85 assign (resid 85 and name HA ) (resid 86 and name HA ) 4.0 2.2 1.0 ! A.87 at 1.76e+06 assign (resid 85 and name HA ) (resid 88 and name HG1 ) 2.5 0.7 0.4 ! A.272 at 1.06e+07 ! E86 ! A87 ! Q88 ! A89 ! A90 ! A91 assign (resid 91 and name HB# ) (resid 92 and name HA ) 3.5 1.2 1.0 ! A.392 at 5.42e+06 assign (resid 91 and name HA ) (resid 94 and name HB1 ) 4.5 2.2 2.0 ! A.337 at 1.44e+06 ! E92 assign (resid 92 and name HG# ) (resid 94 and name HG ) 4.0 2.2 1.5 ! A.363 at 1.73e+06 ! Q93 assign (resid 93 and name HA ) (resid 93 and name HG# ) 2.5 0.7 0.9 ! A.275 at 1.04e+07 ! L94 assign (resid 94 and name HB1 ) (resid 94 and name HD1# ) 3.5 1.2 1.0 ! A.449 at 4.63e+06 assign (resid 94 and name HB1 ) (resid 94 and name HD2# ) 3.5 1.2 1.0 ! A.463 at 3.57e+06 assign (resid 94 and name HB1 ) (resid 95 and name HA ) 4.0 2.2 1.0 ! A.119 at 2.83e+06 assign (resid 94 and name HA ) (resid 95 and name HG2 ) 4.5 2.2 2.0 ! A.109 at 1.32e+06 assign (resid 94 and name HA ) (resid 96 and name HB ) 4.0 2.2 1.0 ! A.43 at 1.61e+06 ! K95 !assign (resid 95 and name HA ) (resid 96 and name HB ) 4.0 2.2 1.0 ! A.42 at 1.74e+06 ! T96 assign (resid 96 and name HA ) (resid 99 and name HB# ) 3.5 1.2 1.0 ! A.326 at 3.65e+06 ! T97 assign (resid 97 and name HB ) (resid 98 and name HB ) 4.5 2.2 2.0 ! A.339 at 6.09e+05 assign (resid 97 and name HB ) (resid 101 and name HB1 ) 4.5 2.2 2.0 ! A.214 at 6.65e+05 ! I98 assign (resid 98 and name HG2# ) (resid 98 and name HA ) 4.0 2.2 1.5 ! A.157 at 1.93e+06 assign (resid 98 and name HB ) (resid 99 and name HA ) 4.0 2.2 1.0 ! A.72 at 2.20e+06 assign (resid 98 and name HG11 ) (resid 102 and name HB2 ) 2.5 0.7 0.4 ! A.425 at 6.89e+06 ! R99 assign (resid 99 and name HG# ) (resid 99 and name HA ) 3.5 1.2 1.0 ! A.74 at 6.43e+06 assign (resid 99 and name HB# ) (resid 100 and name HA ) 4.0 2.2 1.5 ! A.329 at 2.52e+06 assign (resid 99 and name HA ) (resid 102 and name HA ) 4.0 2.2 1.0 ! A.12 at 1.79e+06 assign (resid 99 and name HD2 ) (resid 102 and name HB1 ) 2.5 0.7 0.4 ! A.210 at 9.19e+06 assign (resid 99 and name HD1 ) (resid 102 and name HB1 ) 2.5 0.7 0.4 ! A.209 at 9.66e+06 assign (resid 99 and name HD2 ) (resid 103 and name HG2 ) 4.5 2.2 2.0 ! A.274 at 7.39e+05 ! A100 assign (resid 100 and name HA ) (resid 104 and name HA ) 4.0 2.2 1.0 ! A.141 at 1.90e+06 ! Y101 assign (resid 101 and name HA ) (resid 102 and name HA ) 4.0 2.2 1.0 ! A.92 at 2.31e+06 ! N102 assign (resid 102 and name HA ) (resid 106 and name HA2 ) 4.0 2.2 1.0 ! A.13 at 1.65e+06 ! Q103 ! K104 assign (resid 104 and name HE1 ) (resid 104 and name HG2 ) 2.5 0.7 0.4 ! A.464 at 8.80e+06 assign (resid 104 and name HD2 ) (resid 104 and name HA ) 4.5 2.2 2.0 ! A.143 at 1.37e+06 assign (resid 104 and name HD1 ) (resid 104 and name HA ) 4.0 2.2 1.0 ! A.142 at 2.70e+06 assign (resid 104 and name HG1 ) (resid 104 and name HE1 ) 4.0 2.2 1.0 ! A.248 at 2.71e+06 assign (resid 104 and name HA ) (resid 105 and name HA ) 4.5 2.2 2.0 ! A.140 at 1.33e+06 assign (resid 104 and name HG2 ) (resid 105 and name HB2 ) 4.5 2.2 2.0 ! A.465 at 5.73e+05 ! Y105 ! G106 !@ END_XPLR_NOE_FILE ! pck2xplr.nawk Table; Input File: gdN_noesyC.PCK ! Date: Tue Jul 1 16:36:02 EDT 2003 ! Path: /home/fengh/My_xplor/gd7_N ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A gdN_noesyC.PCK 394 171 80 76 67 ! Total 394 171 80 76 67 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! A1 assign (resid 1 and name HA ) (resid 2 and name HA ) 4.0 2.2 1.0 ! A.1225 at 1.72e+04 ! D2 assign (resid 2 and name HA ) (resid 3 and name HB# ) 4.0 2.2 1.5 ! A.1912 at 1.80e+04 assign (resid 2 and name HN ) (resid 3 and name HA ) 4.5 2.2 2.0 ! A.112 at 8.56e+03 assign (resid 2 and name HA ) (resid 3 and name HG# ) 4.0 2.2 1.5 ! A.933 at 1.54e+04 !assign (resid 2 and name HN ) (resid 6 and name HA ) 3.5 1.2 0.5 ! A.111 at 2.89e+04 ! L3 assign (resid 3 and name HN ) (resid 3 and name HD2# ) 4.5 2.2 2.5 ! A.2160 at 1.12e+04 assign (resid 3 and name HA ) (resid 3 and name HD1# ) 4.0 2.2 1.5 ! A.2130 at 1.79e+04 assign (resid 3 and name HG ) (resid 3 and name HN ) 2.5 0.7 0.4 ! A.256 at 6.76e+04 assign (resid 3 and name HD1# ) (resid 4 and name HG# ) 2.5 0.7 1.4 ! A.2131 at 4.20e+04 ! E4 ! D5 ! N6 assign (resid 6 and name HD21 ) (resid 6 and name HN ) 4.5 2.2 2.0 ! A.264 at 1.11e+04 ! D7 ! E8 assign (resid 8 and name HA ) (resid 9 and name HG2# ) 4.0 2.2 1.5 ! A.1064 at 1.51e+04 ! T9 assign (resid 9 and name HG2# ) (resid 10 and name HN ) 4.5 2.2 2.5 ! A.252 at 8.51e+03 ! G10 ! N11 assign (resid 11 and name HN ) (resid 11 and name HD21 ) 3.5 1.2 0.5 ! A.541 at 2.92e+04 assign (resid 11 and name HD22 ) (resid 11 and name HN ) 4.5 2.2 2.0 ! A.313 at 1.08e+04 ! D12 ! N13 assign (resid 13 and name HD22 ) (resid 13 and name HA ) 3.5 0.7 0.4 ! A.954 at 1.78e+04 ! G14 ! K15 assign (resid 15 and name HD# ) (resid 15 and name HA ) 4.5 2.2 2.5 ! A.1083 at 1.16e+04 assign (resid 15 and name HG# ) (resid 15 and name HN ) 3.0 0.7 0.9 ! A.376 at 1.18e+05 assign (resid 15 and name HG# ) (resid 15 and name HA ) 4.5 2.2 2.5 ! A.1084 at 9.59e+03 ! G16 ! G17 ! E18 assign (resid 18 and name HG# ) (resid 18 and name HA ) 2.5 0.7 0.9 ! A.949 at 4.45e+04 assign (resid 18 and name HA ) (resid 19 and name HE1 ) 3.5 0.7 0.4 ! A.1523 at 2.22e+04 ! K19 ! A20 !assign (resid 20 and name HA ) (resid 25 and name HE21 ) 4.5 2.2 2.0 ! A.1111 at 4.86e+03 ! D21 assign (resid 21 and name HN ) (resid 22 and name HA ) 4.5 2.2 2.0 ! A.269 at 8.85e+03 assign (resid 21 and name HB# ) (resid 25 and name HE21 ) 4.5 2.2 2.5 ! A.1582 at 5.62e+03 ! N22 assign (resid 22 and name HD21 ) (resid 84 and name HN ) 4.5 2.2 2.0 ! A.571 at 1.04e+04 assign (resid 22 and name HD22 ) (resid 84 and name HG2# ) 3.5 1.2 1.0 ! A.2148 at 2.85e+04 assign (resid 22 and name HA ) (resid 84 and name HG1# ) 4.0 2.2 1.5 ! A.2086 at 1.38e+04 assign (resid 22 and name HB2 ) (resid 84 and name HG1# ) 4.0 2.2 1.5 ! A.2090 at 1.62e+04 ! A23 ! A24 ! Q25 assign (resid 25 and name HN ) (resid 25 and name HE21 ) 3.5 1.2 0.5 ! A.592 at 2.26e+04 assign (resid 25 and name HE22 ) (resid 25 and name HG# ) 4.0 2.2 1.5 ! A.1639 at 1.47e+04 assign (resid 25 and name HB# ) (resid 25 and name HE22 ) 3.5 1.2 1.0 ! A.762 at 2.35e+04 assign (resid 25 and name HG# ) (resid 26 and name HG2# ) 2.5 0.7 1.4 ! A.2144 at 3.78e+04 assign (resid 25 and name HG# ) (resid 29 and name HB# ) 2.5 0.7 1.4 ! A.1938 at 6.24e+04 ! V26 assign (resid 26 and name HG1# ) (resid 26 and name HA ) 3.5 1.2 1.0 ! A.1263 at 1.87e+04 ! K27 assign (resid 27 and name HN ) (resid 27 and name HE1 ) 4.0 2.2 1.0 ! A.1562 at 1.26e+04 assign (resid 27 and name HA ) (resid 27 and name HD# ) 3.5 1.2 1.0 ! A.1883 at 1.81e+04 assign (resid 27 and name HE1 ) (resid 27 and name HB# ) 2.5 0.7 0.9 ! A.1867 at 5.40e+04 assign (resid 27 and name HG# ) (resid 27 and name HA ) 4.0 2.2 1.5 ! A.1356 at 1.51e+04 ! D28 ! A29 ! L30 assign (resid 30 and name HA ) (resid 30 and name HD1# ) 3.5 0.7 0.9 ! A.2126 at 2.91e+04 assign (resid 30 and name HN ) (resid 31 and name HB ) 4.5 2.2 2.0 ! A.1047 at 1.19e+04 ! T31 assign (resid 31 and name HN ) (resid 31 and name HB ) 3.5 1.2 0.5 ! A.1045 at 2.57e+04 assign (resid 31 and name HN ) (resid 31 and name HG2# ) 2.5 0.7 0.9 ! A.2031 at 4.64e+04 assign (resid 31 and name HA ) (resid 31 and name HG2# ) 2.5 0.7 0.9 ! A.2035 at 4.80e+04 assign (resid 31 and name HB ) (resid 34 and name HD1 ) 3.5 1.2 0.5 ! A.1051 at 2.63e+04 assign (resid 31 and name HG2# ) (resid 35 and name HN ) 3.5 1.2 1.0 ! A.2032 at 2.89e+04 assign (resid 31 and name HB ) (resid 35 and name HN ) 4.5 2.2 2.0 ! A.1049 at 4.61e+03 ! K32 assign (resid 32 and name HZ# ) (resid 32 and name HB2 ) 4.0 2.2 1.5 ! A.1847 at 1.30e+04 assign (resid 32 and name HZ# ) (resid 32 and name HD1 ) 4.5 2.2 2.5 ! A.1910 at 2.72e+03 assign (resid 32 and name HZ# ) (resid 32 and name HA ) 4.5 2.2 2.5 ! A.1191 at 3.74e+03 assign (resid 32 and name HE1 ) (resid 33 and name HN ) 4.5 2.2 2.0 ! A.353 at 3.04e+03 ! M33 assign (resid 33 and name HG1 ) (resid 33 and name HE# ) 2.5 0.7 0.9 ! A.1668 at 1.47e+05 assign (resid 33 and name HE# ) (resid 33 and name HN ) 2.5 0.7 0.9 ! A.354 at 5.12e+04 ! R34 assign (resid 34 and name HE ) (resid 34 and name HB1 ) 4.0 2.2 1.0 ! A.1752 at 1.44e+04 assign (resid 34 and name HE ) (resid 34 and name HA ) 4.5 2.2 2.0 ! A.1370 at 2.92e+03 assign (resid 34 and name HA ) (resid 34 and name HD1 ) 4.5 2.2 2.0 ! A.1491 at 9.56e+03 assign (resid 34 and name HD1 ) (resid 34 and name HB1 ) 2.5 0.7 0.4 ! A.1756 at 8.72e+04 assign (resid 34 and name HE ) (resid 35 and name HA ) 4.5 2.2 2.0 ! A.1221 at 3.93e+03 assign (resid 34 and name HA ) (resid 35 and name HN ) 4.5 2.2 2.0 ! A.1373 at 4.57e+03 assign (resid 34 and name HA ) (resid 38 and name HD1# ) 4.0 2.2 1.5 ! A.1377 at 1.35e+04 assign (resid 34 and name HE ) (resid 69 and name HG1# ) 4.5 2.2 2.5 ! A.2098 at 2.93e+03 assign (resid 34 and name HD1 ) (resid 72 and name HG2# ) 4.5 2.2 2.5 ! A.2153 at 5.19e+03 assign (resid 34 and name HA ) (resid 72 and name HG2# ) 3.5 1.2 1.0 ! A.1376 at 2.50e+04 ! A35 ! A36 assign (resid 36 and name HB# ) (resid 39 and name HB1 ) 3.5 1.2 1.0 ! A.1956 at 2.81e+04 assign (resid 36 and name HB# ) (resid 68 and name HD2# ) 4.5 2.2 3.0 ! A.1957 at 8.33e+03 ! A37 assign (resid 37 and name HN ) (resid 68 and name HD2# ) 4.5 2.2 2.5 ! A.284 at 7.37e+03 assign (resid 37 and name HA ) (resid 68 and name HD2# ) 4.5 2.2 2.5 ! A.1313 at 8.36e+03 ! L38 assign (resid 38 and name HG ) (resid 38 and name HA ) 3.5 1.2 0.5 ! A.1347 at 2.64e+04 ! D39 assign (resid 39 and name HA ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.708 at 6.03e+03 assign (resid 39 and name HA ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.1068 at 1.53e+04 assign (resid 39 and name HA ) (resid 43 and name HB# ) 2.5 0.7 0.9 ! A.1071 at 4.01e+04 assign (resid 39 and name HB1 ) (resid 44 and name HG2# ) 4.5 2.2 2.5 ! A.2078 at 1.04e+04 assign (resid 39 and name HB2 ) (resid 44 and name HG2# ) 4.5 2.2 2.5 ! A.2079 at 6.34e+03 ! A40 assign (resid 40 and name HB# ) (resid 68 and name HD2# ) 3.5 1.2 1.5 ! A.2026 at 2.19e+04 ! Q41 assign (resid 41 and name HE21 ) (resid 41 and name HB1 ) 4.0 2.2 1.0 ! A.1760 at 1.75e+04 assign (resid 41 and name HE22 ) (resid 41 and name HB1 ) 4.0 2.2 1.0 ! A.1762 at 1.74e+04 assign (resid 41 and name HA ) (resid 41 and name HE21 ) 3.5 1.2 0.5 ! A.618 at 2.70e+04 assign (resid 41 and name HA ) (resid 41 and name HG2 ) 4.5 2.2 2.0 ! A.1681 at 7.46e+03 assign (resid 41 and name HB2 ) (resid 41 and name HN ) 3.5 1.2 0.5 ! A.566 at 1.95e+04 assign (resid 41 and name HN ) (resid 42 and name HN ) 3.5 1.2 0.5 ! A.558 at 1.94e+04 assign (resid 41 and name HB1 ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.1761 at 1.69e+04 assign (resid 41 and name HN ) (resid 43 and name HN ) 4.5 2.2 2.0 ! A.557 at 7.64e+03 assign (resid 41 and name HA ) (resid 61 and name HB2 ) 4.5 2.2 2.0 ! A.1505 at 1.77e+04 assign (resid 41 and name HG1 ) (resid 61 and name HD1 ) 3.5 1.2 1.0 ! A.871 at 1.84e+04 assign (resid 41 and name HB1 ) (resid 61 and name HZ ) 4.5 2.2 2.0 ! A.903 at 1.16e+04 assign (resid 41 and name HB2 ) (resid 61 and name HZ ) 3.5 1.2 1.0 ! A.907 at 1.93e+04 ! K42 assign (resid 42 and name HE1 ) (resid 42 and name HN ) 4.5 2.2 2.0 ! A.711 at 1.08e+04 assign (resid 42 and name HN ) (resid 43 and name HA ) 4.5 2.2 2.0 ! A.707 at 6.36e+03 assign (resid 42 and name HA ) (resid 44 and name HN ) 4.5 2.2 2.0 ! A.1120 at 9.28e+03 assign (resid 42 and name HN ) (resid 44 and name HG2# ) 4.5 2.2 2.5 ! A.718 at 3.60e+03 assign (resid 42 and name HA ) (resid 45 and name HD2 ) 4.5 2.2 2.0 ! A.1365 at 5.21e+03 assign (resid 42 and name HN ) (resid 46 and name HD1 ) 4.5 2.2 2.0 ! A.709 at 2.75e+03 assign (resid 42 and name HB2 ) (resid 61 and name HZ ) 4.5 2.2 2.0 ! A.1879 at 1.64e+03 assign (resid 42 and name HD1 ) (resid 61 and name HZ ) 4.5 2.2 2.0 ! A.1921 at 5.17e+03 ! A43 ! T44 assign (resid 44 and name HG2# ) (resid 44 and name HA ) 2.5 0.7 0.9 ! A.1294 at 3.80e+04 assign (resid 44 and name HG2# ) (resid 46 and name HB# ) 3.5 1.2 1.5 ! A.2080 at 2.95e+04 ! P45 assign (resid 45 and name HA ) (resid 45 and name HG2 ) 3.5 1.2 0.5 ! A.1773 at 2.23e+04 assign (resid 45 and name HA ) (resid 45 and name HD1 ) 4.5 2.2 2.0 ! A.1328 at 1.05e+04 assign (resid 45 and name HD2 ) (resid 45 and name HA ) 4.0 2.2 1.0 ! A.1056 at 1.34e+04 ! P46 ! K47 assign (resid 47 and name HA ) (resid 48 and name HD2# ) 4.5 2.2 2.5 ! A.1182 at 1.14e+04 ! L48 assign (resid 48 and name HA ) (resid 48 and name HD1# ) 3.5 0.7 0.9 ! A.2183 at 2.10e+04 assign (resid 48 and name HA ) (resid 48 and name HD2# ) 4.0 2.2 1.5 ! A.2248 at 1.48e+04 assign (resid 48 and name HB1 ) (resid 48 and name HD1# ) 2.5 0.7 0.9 ! A.2188 at 1.43e+05 assign (resid 48 and name HD2# ) (resid 51 and name HE1 ) 4.5 2.2 2.5 ! A.2250 at 8.28e+03 assign (resid 48 and name HD2# ) (resid 51 and name HN ) 4.5 2.2 2.5 ! A.501 at 6.48e+03 assign (resid 48 and name HB1 ) (resid 52 and name HA ) 4.5 2.2 2.0 ! A.1892 at 7.52e+03 assign (resid 48 and name HD1# ) (resid 57 and name HG# ) 4.0 2.2 2.0 ! A.2187 at 1.46e+04 assign (resid 48 and name HD2# ) (resid 57 and name HG# ) 3.5 1.2 1.5 ! A.2251 at 2.10e+04 assign (resid 48 and name HD2# ) (resid 57 and name HA ) 3.5 1.2 1.0 ! A.1167 at 2.16e+04 assign (resid 48 and name HD1# ) (resid 60 and name HB1 ) 4.5 2.2 2.5 ! A.2186 at 8.92e+03 assign (resid 48 and name HD1# ) (resid 61 and name HA ) 4.5 2.2 2.5 ! A.2184 at 6.36e+03 assign (resid 48 and name HD2# ) (resid 101 and name HE1 ) 4.5 2.2 2.5 ! A.895 at 6.84e+03 assign (resid 48 and name HD1# ) (resid 101 and name HE1 ) 4.5 2.2 2.5 ! A.894 at 1.05e+04 assign (resid 48 and name HD2# ) (resid 105 and name HB1 ) 4.5 2.2 2.5 ! A.1501 at 1.79e+03 ! E49 ! D50 ! K51 assign (resid 51 and name HE1 ) (resid 51 and name HB# ) 2.5 0.7 0.9 ! A.1782 at 1.49e+05 assign (resid 51 and name HG1 ) (resid 51 and name HA ) 3.5 1.2 0.5 ! A.987 at 2.58e+04 assign (resid 51 and name HN ) (resid 52 and name HA ) 3.5 1.2 0.5 ! A.910 at 2.43e+04 assign (resid 51 and name HD# ) (resid 105 and name HD1 ) 4.5 2.2 2.5 ! A.1909 at 1.03e+04 assign (resid 51 and name HE1 ) (resid 105 and name HD1 ) 3.5 1.2 0.5 ! A.755 at 2.20e+04 ! S52 assign (resid 52 and name HA ) (resid 53 and name HG1 ) 4.0 2.2 1.0 ! A.1731 at 1.22e+04 assign (resid 52 and name HA ) (resid 53 and name HD1 ) 3.5 1.2 0.5 ! A.915 at 2.72e+04 assign (resid 52 and name HA ) (resid 57 and name HB1 ) 4.5 2.2 2.0 ! A.1683 at 1.16e+04 ! P53 assign (resid 53 and name HD1 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.1323 at 1.59e+04 ! D54 ! S55 assign (resid 55 and name HB2 ) (resid 105 and name HD1 ) 4.5 2.2 2.0 ! A.753 at 1.07e+04 assign (resid 55 and name HB2 ) (resid 105 and name HE1 ) 4.5 2.2 2.0 ! A.1286 at 7.47e+03 ! P56 assign (resid 56 and name HD1 ) (resid 57 and name HN ) 4.5 2.2 2.0 ! A.1318 at 6.06e+03 assign (resid 56 and name HG1 ) (resid 105 and name HE1 ) 4.0 2.2 1.0 ! A.1727 at 1.41e+04 assign (resid 56 and name HD1 ) (resid 105 and name HE1 ) 4.5 2.2 2.0 ! A.1319 at 2.67e+03 assign (resid 56 and name HB2 ) (resid 105 and name HE1 ) 4.5 2.2 2.0 ! A.1669 at 4.52e+03 assign (resid 56 and name HG2 ) (resid 105 and name HE1 ) 4.0 2.2 1.0 ! A.1790 at 1.77e+04 assign (resid 56 and name HB1 ) (resid 105 and name HE1 ) 4.5 2.2 2.0 ! A.836 at 1.11e+04 ! E57 assign (resid 57 and name HN ) (resid 58 and name HG2 ) 4.5 2.2 2.0 ! A.1619 at 2.22e+03 assign (resid 57 and name HA ) (resid 105 and name HD1 ) 4.5 2.2 2.0 ! A.752 at 9.56e+03 assign (resid 57 and name HA ) (resid 105 and name HE1 ) 4.5 2.2 2.0 ! A.832 at 5.43e+03 ! M58 assign (resid 58 and name HA ) (resid 58 and name HG2 ) 3.5 1.2 0.5 ! A.1621 at 2.90e+04 assign (resid 58 and name HN ) (resid 61 and name HD1 ) 4.5 2.2 2.0 ! A.480 at 2.67e+03 assign (resid 58 and name HG1 ) (resid 61 and name HD1 ) 4.5 2.2 2.0 ! A.1565 at 3.73e+03 assign (resid 58 and name HA ) (resid 61 and name HD1 ) 4.0 2.2 1.0 ! A.863 at 1.34e+04 assign (resid 58 and name HE# ) (resid 61 and name HD1 ) 4.5 2.2 2.5 ! A.1673 at 3.35e+03 assign (resid 58 and name HA ) (resid 62 and name HD1 ) 3.5 1.2 0.5 ! A.1455 at 2.00e+04 assign (resid 58 and name HA ) (resid 62 and name HG# ) 3.5 1.2 1.0 ! A.1827 at 1.88e+04 ! K59 !assign (resid 59 and name HN ) (resid 61 and name HD1 ) 4.5 2.2 2.0 ! A.858 at 3.04e+03 assign (resid 59 and name HB2 ) (resid 105 and name HE1 ) 4.5 2.2 2.0 ! A.839 at 8.16e+03 ! D60 assign (resid 60 and name HB2 ) (resid 60 and name HN ) 4.5 2.2 2.0 ! A.179 at 4.64e+03 assign (resid 60 and name HA ) (resid 61 and name HB1 ) 4.5 2.2 2.0 ! A.1001 at 1.15e+04 assign (resid 60 and name HA ) (resid 101 and name HE1 ) 4.5 2.2 2.0 ! A.883 at 2.14e+03 assign (resid 60 and name HB2 ) (resid 101 and name HE1 ) 4.5 2.2 2.0 ! A.1580 at 3.29e+03 assign (resid 60 and name HB2 ) (resid 101 and name HD1 ) 4.5 2.2 2.0 ! A.817 at 9.08e+03 assign (resid 60 and name HA ) (resid 105 and name HE1 ) 4.5 2.2 2.0 ! A.999 at 9.99e+03 ! F61 assign (resid 61 and name HN ) (resid 61 and name HB1 ) 4.5 2.2 2.0 ! A.1484 at 7.25e+03 assign (resid 61 and name HN ) (resid 61 and name HD1 ) 4.5 2.2 2.0 ! A.859 at 3.46e+03 assign (resid 61 and name HE1 ) (resid 61 and name HB2 ) 4.5 2.2 2.0 ! A.1502 at 8.84e+03 assign (resid 61 and name HE1 ) (resid 61 and name HB1 ) 4.5 2.2 2.0 ! A.1485 at 1.05e+04 assign (resid 61 and name HD1 ) (resid 61 and name HB2 ) 4.5 2.2 2.0 ! A.1503 at 6.79e+03 assign (resid 61 and name HD1 ) (resid 61 and name HB1 ) 4.5 2.2 2.0 ! A.1486 at 8.94e+03 assign (resid 61 and name HD1 ) (resid 61 and name HA ) 4.5 2.2 2.0 ! A.1095 at 8.19e+03 assign (resid 61 and name HZ ) (resid 61 and name HD1 ) 4.5 2.2 2.0 ! A.862 at 4.90e+03 assign (resid 61 and name HZ ) (resid 61 and name HB2 ) 4.5 2.2 2.0 ! A.1504 at 2.32e+03 assign (resid 61 and name HZ ) (resid 61 and name HB1 ) 4.5 2.2 2.0 ! A.1487 at 2.60e+03 assign (resid 61 and name HB2 ) (resid 61 and name HN ) 4.5 2.2 2.0 ! A.392 at 4.66e+03 assign (resid 61 and name HE1 ) (resid 62 and name HD1 ) 4.5 2.2 2.0 ! A.1453 at 3.28e+03 assign (resid 61 and name HD1 ) (resid 62 and name HA ) 4.5 2.2 2.0 ! A.865 at 8.74e+03 assign (resid 61 and name HD1 ) (resid 62 and name HD2 ) 4.5 2.2 2.0 ! A.1479 at 2.30e+03 assign (resid 61 and name HA ) (resid 62 and name HN ) 4.0 2.2 1.0 ! A.140 at 1.51e+04 assign (resid 61 and name HZ ) (resid 62 and name HA ) 4.5 2.2 2.0 ! A.899 at 3.77e+03 assign (resid 61 and name HZ ) (resid 62 and name HD1 ) 4.5 2.2 2.0 ! A.900 at 2.99e+03 assign (resid 61 and name HD1 ) (resid 62 and name HD1 ) 4.5 2.2 2.0 ! A.866 at 3.42e+03 assign (resid 61 and name HD1 ) (resid 62 and name HG# ) 4.5 2.2 2.5 ! A.874 at 5.35e+03 assign (resid 61 and name HZ ) (resid 62 and name HG# ) 4.5 2.2 2.5 ! A.904 at 7.64e+03 assign (resid 61 and name HA ) (resid 63 and name HN ) 4.5 2.2 2.0 ! A.1092 at 8.79e+03 assign (resid 61 and name HA ) (resid 63 and name HB1 ) 4.5 2.2 2.0 ! A.1100 at 9.60e+03 assign (resid 61 and name HN ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.385 at 5.52e+03 assign (resid 61 and name HN ) (resid 101 and name HE1 ) 4.5 2.2 2.0 ! A.387 at 3.67e+03 assign (resid 61 and name HA ) (resid 101 and name HE1 ) 4.5 2.2 2.0 ! A.884 at 4.91e+03 assign (resid 61 and name HZ ) (resid 65 and name HD1 ) 3.5 1.2 0.5 ! A.792 at 1.99e+04 ! R62 assign (resid 62 and name HA ) (resid 62 and name HD1 ) 4.0 2.2 1.0 ! A.1456 at 1.30e+04 assign (resid 62 and name HA ) (resid 62 and name HD2 ) 4.5 2.2 2.0 ! A.1480 at 7.86e+03 assign (resid 62 and name HD2 ) (resid 65 and name HE1 ) 4.5 2.2 2.0 ! A.687 at 4.11e+03 assign (resid 62 and name HA ) (resid 65 and name HD1 ) 4.5 2.2 2.0 ! A.1362 at 5.61e+03 assign (resid 62 and name HD2 ) (resid 65 and name HD1 ) 4.5 2.2 2.0 ! A.797 at 5.88e+03 assign (resid 62 and name HB# ) (resid 65 and name HD1 ) 3.5 0.7 0.9 ! A.802 at 3.50e+04 assign (resid 62 and name HG# ) (resid 65 and name HD1 ) 3.5 1.2 1.0 ! A.803 at 1.84e+04 ! H63 assign (resid 63 and name HB2 ) (resid 64 and name HN ) 4.5 2.2 2.0 ! A.304 at 2.45e+03 assign (resid 63 and name HA ) (resid 66 and name HA ) 4.0 2.2 1.0 ! A.1038 at 1.76e+04 assign (resid 63 and name HB1 ) (resid 67 and name HN ) 4.0 2.2 1.0 ! A.1445 at 1.32e+04 assign (resid 63 and name HB1 ) (resid 101 and name HD1 ) 4.5 2.2 2.0 ! A.812 at 4.39e+03 assign (resid 63 and name HN ) (resid 65 and name HD1 ) 4.5 2.2 2.0 ! A.784 at 8.50e+03 ! G64 assign (resid 64 and name HA2 ) (resid 65 and name HN ) 4.5 2.2 2.0 ! A.1426 at 3.89e+03 assign (resid 64 and name HN ) (resid 101 and name HE1 ) 4.5 2.2 2.0 ! A.301 at 2.03e+03 assign (resid 64 and name HA1 ) (resid 101 and name HD1 ) 4.5 2.2 2.0 ! A.810 at 7.41e+03 assign (resid 64 and name HA1 ) (resid 101 and name HE1 ) 4.5 2.2 2.0 ! A.886 at 5.46e+03 assign (resid 64 and name HA2 ) (resid 101 and name HD1 ) 4.5 2.2 2.0 ! A.811 at 4.86e+03 assign (resid 64 and name HN ) (resid 65 and name HD1 ) 4.5 2.2 2.0 ! A.301 at 4.44e+03 ! F65 assign (resid 65 and name HE1 ) (resid 65 and name HB1 ) 4.5 2.2 2.0 ! A.1560 at 4.14e+03 assign (resid 65 and name HN ) (resid 65 and name HD1 ) 4.5 2.2 2.0 ! A.772 at 8.78e+05 assign (resid 65 and name HD1 ) (resid 65 and name HZ ) 3.5 1.2 0.5 ! A.824 at 2.83e+04 assign (resid 65 and name HD1 ) (resid 65 and name HB2 ) 4.5 2.2 2.0 ! A.1615 at 9.26e+03 assign (resid 65 and name HZ ) (resid 65 and name HB2 ) 4.5 2.2 2.0 ! A.1616 at 7.11e+03 assign (resid 65 and name HD1 ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.533 at 1.52e+04 assign (resid 65 and name HZ ) (resid 66 and name HN ) 4.5 2.2 2.0 ! A.534 at 5.49e+03 assign (resid 65 and name HZ ) (resid 66 and name HB2 ) 4.5 2.2 2.0 ! A.1604 at 8.23e+03 assign (resid 65 and name HZ ) (resid 66 and name HA ) 4.5 2.2 2.0 ! A.1037 at 1.01e+04 assign (resid 65 and name HN ) (resid 66 and name HA ) 4.5 2.2 2.0 ! A.739 at 1.91e+03 assign (resid 65 and name HB1 ) (resid 68 and name HN ) 4.5 2.2 2.0 ! A.653 at 4.22e+03 assign (resid 65 and name HA ) (resid 68 and name HD2# ) 4.5 2.2 2.5 ! A.1194 at 8.25e+03 assign (resid 65 and name HD1 ) (resid 69 and name HG2# ) 4.5 2.2 2.5 ! A.781 at 6.79e+03 assign (resid 65 and name HZ ) (resid 69 and name HG1# ) 4.5 2.2 2.5 ! A.2100 at 2.69e+03 assign (resid 65 and name HD1 ) (resid 65 and name HB1 ) 4.5 2.2 2.0 ! A.1574 at 8.25e+03 assign (resid 65 and name HD1 ) (resid 69 and name HG2# ) 4.5 2.2 2.5 ! A.804 at 6.79e+03 ! D66 assign (resid 66 and name HB1 ) (resid 67 and name HG11 ) 4.5 2.2 2.0 ! A.2055 at 1.17e+04 assign (resid 66 and name HB2 ) (resid 67 and name HG11 ) 4.0 2.2 1.0 ! A.2056 at 1.62e+04 assign (resid 66 and name HA ) (resid 67 and name HG11 ) 4.5 2.2 2.0 ! A.1040 at 1.13e+04 assign (resid 66 and name HA ) (resid 69 and name HG2# ) 4.0 2.2 1.5 ! A.2135 at 1.75e+04 assign (resid 66 and name HA ) (resid 69 and name HN ) 4.0 2.2 1.0 ! A.64 at 1.38e+04 assign (resid 66 and name HA ) (resid 69 and name HG1# ) 2.5 0.7 0.9 ! A.1041 at 3.83e+04 ! I67 assign (resid 67 and name HN ) (resid 67 and name HB ) 4.0 2.2 1.0 ! A.1865 at 1.34e+04 assign (resid 67 and name HN ) (resid 67 and name HG12 ) 4.5 2.2 2.0 ! A.2116 at 4.99e+03 assign (resid 67 and name HA ) (resid 67 and name HG2# ) 3.5 1.2 1.0 ! A.2200 at 2.61e+04 assign (resid 67 and name HG11 ) (resid 67 and name HA ) 2.5 0.7 0.4 ! A.1399 at 3.17e+04 assign (resid 67 and name HG11 ) (resid 67 and name HN ) 2.5 0.7 0.4 ! A.627 at 3.24e+04 assign (resid 67 and name HG2# ) (resid 68 and name HN ) 4.5 2.2 2.5 ! A.2196 at 6.97e+03 assign (resid 67 and name HG11 ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.659 at 1.61e+04 assign (resid 67 and name HG2# ) (resid 68 and name HD1# ) 4.5 2.2 3.0 ! A.2220 at 1.31e+06 assign (resid 67 and name HG2# ) (resid 71 and name HE21 ) 4.0 2.2 1.5 ! A.2197 at 1.29e+04 assign (resid 67 and name HG2# ) (resid 71 and name HE22 ) 4.5 2.2 2.5 ! A.2198 at 1.02e+04 assign (resid 67 and name HA ) (resid 71 and name HG1 ) 4.5 2.2 2.0 ! A.1632 at 2.27e+03 assign (resid 67 and name HG2# ) (resid 71 and name HB# ) 2.5 0.7 1.4 ! A.2204 at 1.06e+05 assign (resid 67 and name HG2# ) (resid 101 and name HB1 ) 3.5 1.2 1.0 ! A.2202 at 2.47e+04 ! L68 assign (resid 68 and name HA ) (resid 68 and name HD2# ) 4.0 2.2 1.5 ! A.2262 at 1.70e+04 assign (resid 68 and name HB# ) (resid 68 and name HD2# ) 3.5 1.2 1.5 ! A.2265 at 2.99e+04 assign (resid 68 and name HG ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.658 at 1.39e+04 assign (resid 68 and name HD2# ) (resid 69 and name HN ) 4.5 2.2 2.5 ! A.76 at 5.45e+03 assign (resid 68 and name HN ) (resid 69 and name HA ) 4.5 2.2 2.0 ! A.1435 at 5.71e+03 assign (resid 68 and name HD1# ) (resid 69 and name HN ) 4.0 2.2 1.5 ! A.75 at 1.49e+04 assign (resid 68 and name HD2# ) (resid 71 and name HE21 ) 4.5 2.2 2.5 ! A.705 at 1.56e+03 assign (resid 68 and name HD2# ) (resid 71 and name HE22 ) 4.5 2.2 2.5 ! A.856 at 2.37e+03 assign (resid 68 and name HB# ) (resid 71 and name HN ) 4.0 2.2 1.5 ! A.513 at 1.36e+04 assign (resid 68 and name HG ) (resid 71 and name HE22 ) 4.5 2.2 2.0 ! A.851 at 5.10e+03 assign (resid 68 and name HD1# ) (resid 98 and name HN ) 3.5 1.2 1.0 ! A.2206 at 2.11e+04 assign (resid 68 and name HD1# ) (resid 98 and name HA ) 2.5 0.7 0.9 ! A.2214 at 4.27e+04 assign (resid 68 and name HD2# ) (resid 98 and name HB ) 4.5 2.2 2.5 ! A.1820 at 3.00e+03 assign (resid 68 and name HD2# ) (resid 98 and name HG2# ) 4.5 2.2 3.0 ! A.2129 at 7.38e+03 assign (resid 68 and name HD1# ) (resid 101 and name HB1 ) 4.5 2.2 2.5 ! A.2215 at 4.76e+03 ! V69 assign (resid 69 and name HB ) (resid 69 and name HN ) 3.5 1.2 0.5 ! A.70 at 2.13e+04 assign (resid 69 and name HG1# ) (resid 69 and name HN ) 2.5 0.7 0.9 ! A.73 at 3.60e+04 ! G70 ! Q71 assign (resid 71 and name HN ) (resid 71 and name HE22 ) 4.5 2.2 2.0 ! A.842 at 5.14e+03 assign (resid 71 and name HN ) (resid 71 and name HB# ) 4.0 2.2 1.5 ! A.1716 at 1.76e+04 assign (resid 71 and name HE21 ) (resid 71 and name HA ) 4.0 2.2 1.0 ! A.1142 at 1.73e+04 assign (resid 71 and name HE21 ) (resid 71 and name HG1 ) 4.5 2.2 2.0 ! A.1631 at 3.05e+03 assign (resid 71 and name HE22 ) (resid 71 and name HG2 ) 4.5 2.2 2.0 ! A.1651 at 5.26e+03 assign (resid 71 and name HE22 ) (resid 71 and name HB# ) 2.5 0.7 0.9 ! A.1718 at 3.02e+04 assign (resid 71 and name HG1 ) (resid 71 and name HE22 ) 4.5 2.2 2.0 ! A.847 at 9.28e+03 assign (resid 71 and name HE21 ) (resid 72 and name HN ) 4.5 2.2 2.0 ! A.149 at 5.16e+03 assign (resid 71 and name HE22 ) (resid 72 and name HG11 ) 4.5 2.2 2.0 ! A.2111 at 5.16e+03 assign (resid 71 and name HA ) (resid 72 and name HA ) 4.5 2.2 2.0 ! A.1145 at 8.14e+03 assign (resid 71 and name HA ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.1139 at 1.23e+04 assign (resid 71 and name HE21 ) (resid 94 and name HD1# ) 4.5 2.2 2.5 ! A.703 at 4.80e+03 assign (resid 71 and name HA ) (resid 94 and name HD2# ) 4.5 2.2 2.5 ! A.1147 at 5.04e+03 assign (resid 71 and name HE22 ) (resid 97 and name HA ) 4.5 2.2 2.0 ! A.1265 at 9.45e+03 assign (resid 71 and name HE22 ) (resid 97 and name HG2# ) 4.5 2.2 2.5 ! A.852 at 4.53e+03 ! I72 assign (resid 72 and name HN ) (resid 72 and name HG2# ) 3.5 1.2 1.0 ! A.2151 at 2.52e+04 assign (resid 72 and name HN ) (resid 72 and name HG11 ) 3.5 1.2 0.5 ! A.2108 at 2.47e+04 assign (resid 72 and name HG11 ) (resid 72 and name HA ) 2.5 0.7 0.4 ! A.1420 at 5.88e+04 ! D73 assign (resid 73 and name HA ) (resid 76 and name HD2# ) 3.5 1.2 1.0 ! A.996 at 1.91e+04 ! D74 ! A75 ! L76 assign (resid 76 and name HA ) (resid 76 and name HD2# ) 3.0 0.7 0.9 ! A.2191 at 3.20e+04 assign (resid 76 and name HB1 ) (resid 76 and name HD2# ) 2.5 0.7 0.9 ! A.2193 at 1.53e+05 assign (resid 76 and name HD1# ) (resid 76 and name HA ) 2.5 0.7 0.9 ! A.1303 at 3.63e+04 assign (resid 76 and name HG ) (resid 80 and name HA ) 3.5 1.2 0.5 ! A.1013 at 2.39e+04 ! K77 assign (resid 77 and name HE1 ) (resid 77 and name HG1 ) 3.5 1.2 0.5 ! A.1951 at 2.42e+04 assign (resid 77 and name HB1 ) (resid 77 and name HN ) 3.5 1.2 0.5 ! A.435 at 2.45e+04 assign (resid 77 and name HD1 ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.436 at 1.64e+04 ! L78 assign (resid 78 and name HA ) (resid 78 and name HD2# ) 2.5 0.7 0.9 ! A.2180 at 7.58e+04 ! A79 assign (resid 79 and name HN ) (resid 80 and name HA ) 4.5 2.2 2.0 ! A.380 at 1.01e+04 assign (resid 79 and name HA ) (resid 83 and name HA ) 3.5 1.2 0.5 ! A.1407 at 2.57e+04 assign (resid 79 and name HA ) (resid 84 and name HA ) 4.5 2.2 2.0 ! A.1411 at 3.97e+03 assign (resid 79 and name HB# ) (resid 84 and name HA ) 4.0 2.2 1.5 ! A.2017 at 1.24e+04 ! N80 assign (resid 80 and name HN ) (resid 80 and name HD21 ) 4.5 2.2 2.0 ! A.580 at 1.10e+04 assign (resid 80 and name HD21 ) (resid 80 and name HB2 ) 4.0 2.2 1.0 ! A.1561 at 1.55e+04 assign (resid 80 and name HD21 ) (resid 80 and name HB1 ) 4.5 2.2 2.0 ! A.1534 at 8.61e+03 assign (resid 80 and name HD22 ) (resid 80 and name HN ) 4.5 2.2 2.0 ! A.159 at 3.22e+03 assign (resid 80 and name HD22 ) (resid 81 and name HN ) 4.5 2.2 2.0 ! A.470 at 4.89e+03 ! E81 assign (resid 81 and name HA ) (resid 81 and name HG1 ) 2.5 0.7 0.4 ! A.1628 at 3.69e+04 assign (resid 81 and name HA ) (resid 81 and name HG2 ) 3.5 1.2 0.5 ! A.1657 at 2.16e+04 ! G82 ! K83 assign (resid 83 and name HD1 ) (resid 83 and name HA ) 3.0 0.7 0.6 ! A.964 at 1.10e+05 assign (resid 83 and name HG2 ) (resid 83 and name HE1 ) 4.5 2.2 2.0 ! A.1527 at 9.83e+03 assign (resid 83 and name HA ) (resid 84 and name HA ) 4.0 2.2 1.0 ! A.1462 at 1.74e+04 assign (resid 83 and name HA ) (resid 84 and name HG2# ) 3.5 0.7 0.9 ! A.966 at 4.05e+04 assign (resid 83 and name HN ) (resid 84 and name HG2# ) 4.5 2.2 2.5 ! A.341 at 4.48e+03 assign (resid 83 and name HG1 ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.1997 at 4.92e+03 assign (resid 83 and name HG2 ) (resid 86 and name HN ) 4.5 2.2 2.0 ! A.2027 at 9.86e+03 ! V84 assign (resid 84 and name HA ) (resid 84 and name HG1# ) 2.5 0.7 0.9 ! A.2089 at 3.87e+04 assign (resid 84 and name HA ) (resid 84 and name HG2# ) 2.5 0.7 0.9 ! A.2149 at 3.63e+04 assign (resid 84 and name HG1# ) (resid 85 and name HN ) 4.0 2.2 1.5 ! A.133 at 1.68e+04 assign (resid 84 and name HA ) (resid 87 and name HB# ) 3.5 1.2 1.0 ! A.1948 at 2.41e+04 ! K85 assign (resid 85 and name HN ) (resid 86 and name HN ) 3.5 1.2 0.5 ! A.116 at 2.43e+04 ! E86 ! A87 ! Q88 assign (resid 88 and name HA ) (resid 88 and name HE22 ) 3.5 1.2 0.5 ! A.796 at 2.21e+04 assign (resid 88 and name HE22 ) (resid 89 and name HN ) 4.5 2.2 2.0 ! A.425 at 2.37e+03 assign (resid 88 and name HE22 ) (resid 89 and name HA ) 3.5 1.2 0.5 ! A.1159 at 1.97e+04 ! A89 ! A90 ! A91 ! E92 ! Q93 assign (resid 93 and name HE22 ) (resid 93 and name HG1 ) 4.5 2.2 2.0 ! A.1647 at 8.92e+03 assign (resid 93 and name HE21 ) (resid 94 and name HD2# ) 2.5 0.7 0.9 ! A.591 at 4.30e+04 ! L94 assign (resid 94 and name HN ) (resid 94 and name HD1# ) 3.5 1.2 1.0 ! A.2163 at 1.94e+04 ! K95 ! T96 assign (resid 96 and name HN ) (resid 96 and name HB ) 2.5 0.7 0.4 ! A.1054 at 3.10e+04 assign (resid 96 and name HG2# ) (resid 96 and name HN ) 3.5 1.2 1.0 ! A.614 at 2.48e+04 assign (resid 96 and name HB ) (resid 99 and name HN ) 4.0 2.2 1.0 ! A.1053 at 1.50e+04 assign (resid 96 and name HN ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.545 at 1.08e+06 ! T97 assign (resid 97 and name HB ) (resid 98 and name HG11 ) 4.5 2.2 2.0 ! A.1153 at 7.43e+03 assign (resid 97 and name HG2# ) (resid 100 and name HB# ) 2.5 0.7 1.4 ! A.2050 at 3.56e+05 ! I98 assign (resid 98 and name HG11 ) (resid 98 and name HA ) 3.5 1.2 0.5 ! A.1390 at 2.26e+04 assign (resid 98 and name HN ) (resid 99 and name HN ) 4.5 2.2 2.0 ! A.33 at 8.85e+03 assign (resid 98 and name HG11 ) (resid 99 and name HD1 ) 3.5 1.2 0.5 ! A.2071 at 2.13e+04 assign (resid 98 and name HG11 ) (resid 100 and name HN ) 4.5 2.2 2.0 ! A.2069 at 9.45e+03 assign (resid 98 and name HG11 ) (resid 102 and name HB2 ) 4.5 2.2 2.0 ! A.2073 at 1.20e+04 ! R99 assign (resid 99 and name HN ) (resid 99 and name HD2 ) 4.0 2.2 1.0 ! A.1482 at 1.31e+04 assign (resid 99 and name HD1 ) (resid 100 and name HA ) 4.5 2.2 2.0 ! A.1275 at 4.43e+03 ! A100 assign (resid 100 and name HA ) (resid 103 and name HE22 ) 4.5 2.2 2.0 ! A.787 at 2.56e+03 assign (resid 100 and name HA ) (resid 105 and name HN ) 4.5 2.2 2.0 ! A.669 at 9.86e+03 ! Y101 assign (resid 101 and name HD1 ) (resid 101 and name HB1 ) 3.5 1.2 0.5 ! A.1516 at 2.00e+04 assign (resid 101 and name HE1 ) (resid 101 and name HA ) 4.5 2.2 2.0 ! A.1186 at 3.24e+03 assign (resid 101 and name HE1 ) (resid 101 and name HB2 ) 4.5 2.2 2.0 ! A.1547 at 5.27e+03 assign (resid 101 and name HE1 ) (resid 101 and name HB1 ) 4.5 2.2 2.0 ! A.1517 at 7.43e+03 assign (resid 101 and name HA ) (resid 101 and name HD1 ) 2.5 0.7 0.4 ! A.809 at 5.41e+04 assign (resid 101 and name HB2 ) (resid 101 and name HD1 ) 2.5 0.7 0.4 ! A.816 at 6.18e+04 assign (resid 101 and name HE1 ) (resid 102 and name HD21 ) 4.5 2.2 2.0 ! A.635 at 3.92e+03 assign (resid 101 and name HD1 ) (resid 102 and name HA ) 4.5 2.2 2.0 ! A.807 at 7.19e+03 assign (resid 101 and name HE1 ) (resid 102 and name HA ) 4.5 2.2 2.0 ! A.882 at 5.26e+03 assign (resid 101 and name HD1 ) (resid 104 and name HD1 ) 4.5 2.2 2.0 ! A.1958 at 3.33e+03 assign (resid 101 and name HD1 ) (resid 104 and name HB1 ) 4.5 2.2 2.0 ! A.1905 at 2.27e+03 assign (resid 101 and name HD1 ) (resid 104 and name HG2 ) 4.0 2.2 1.0 ! A.821 at 1.40e+04 assign (resid 101 and name HE1 ) (resid 105 and name HD1 ) 4.0 2.2 1.0 ! A.880 at 1.56e+04 assign (resid 101 and name HD1 ) (resid 105 and name HD1 ) 4.0 2.2 1.0 ! A.805 at 1.40e+04 ! N102 assign (resid 102 and name HD21 ) (resid 102 and name HA ) 3.5 1.2 0.5 ! A.969 at 2.55e+04 assign (resid 102 and name HD22 ) (resid 102 and name HB1 ) 4.5 2.2 2.0 ! A.1509 at 7.77e+03 assign (resid 102 and name HA ) (resid 102 and name HD22 ) 4.5 2.2 2.0 ! A.788 at 5.87e+03 assign (resid 102 and name HD21 ) (resid 106 and name HA1 ) 4.5 2.2 2.0 ! A.1251 at 7.80e+03 ! Q103 ! K104 assign (resid 104 and name HA ) (resid 104 and name HG2 ) 3.5 1.2 0.5 ! A.2237 at 2.38e+04 assign (resid 104 and name HE1 ) (resid 104 and name HG1 ) 4.0 2.2 1.0 ! A.2064 at 1.64e+04 assign (resid 104 and name HE1 ) (resid 104 and name HG2 ) 4.5 2.2 2.0 ! A.2239 at 3.47e+03 assign (resid 104 and name HG1 ) (resid 104 and name HA ) 2.5 0.7 0.4 ! A.1317 at 3.96e+04 assign (resid 104 and name HG2 ) (resid 105 and name HA ) 4.5 2.2 2.0 ! A.1080 at 7.75e+03 !assign (resid 104 and name HB2 ) (resid 105 and name HB2 ) 4.0 2.2 1.0 ! A.1916 at 1.48e+04 assign (resid 104 and name HG2 ) (resid 105 and name HB2 ) 4.5 2.2 2.0 ! A.2240 at 6.85e+03 assign (resid 104 and name HG1 ) (resid 105 and name HA ) 3.5 1.2 0.5 ! A.1079 at 2.51e+04 assign (resid 104 and name HG2 ) (resid 105 and name HE1 ) 3.5 1.2 0.5 ! A.840 at 2.18e+04 ! Y105 assign (resid 105 and name HD1 ) (resid 105 and name HA ) 4.5 2.2 2.0 ! A.1074 at 8.15e+03 assign (resid 105 and name HD1 ) (resid 105 and name HB1 ) 3.5 1.2 0.5 ! A.1494 at 2.17e+04 assign (resid 105 and name HE1 ) (resid 105 and name HB1 ) 4.5 2.2 2.0 ! A.1496 at 4.27e+03 assign (resid 105 and name HE1 ) (resid 105 and name HA ) 4.5 2.2 2.0 ! A.1075 at 9.35e+03 !assign (resid 105 and name HB2 ) (resid 105 and name HE1 ) 4.0 2.2 1.0 ! A.835 at 1.64e+04 assign (resid 105 and name HB2 ) (resid 105 and name HD1 ) 3.0 0.7 0.6 ! A.756 at 5.81e+04 assign (resid 105 and name HB1 ) (resid 106 and name HA1 ) 4.0 2.2 1.0 ! A.1499 at 1.22e+04 ! G106
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