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 |
|
|
15415 |
1y6u   |
6479 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! NOE RESTRAINTS ! M1 assign (resid 1 and name HA) (resid 2 and name HN) 2.5 0.7 0.4 ! 4.50e+06 at B.1687 assign (resid 1 and name HA) (resid 2 and name HB#) 2.5 0.7 0.2 ! 2.07e+06 at B.1689 assign (resid 1 and name HE#) (resid 4 and name HG2#) 4.0 2.2 2.0 ! -4.76e+05 at B.2357 ! K2 ! Q3 assign (resid 3 and name HN) (resid 4 and name HN) 4.0 2.2 1.0 ! 4.26e+06 at A.678 assign (resid 3 and name HB#) (resid 4 and name HG2#) 3.0 1.2 0.8 ! -7.82e+05 at B.2337 ! T4 assign (resid 4 and name HB) (resid 5 and name HN) 3.0 1.2 0.5 ! 8.92e+05 at B.631 assign (resid 4 and name HA) (resid 5 and name HN) 2.5 0.7 0.4 ! 4.32e+06 at B.629 assign (resid 4 and name HA) (resid 5 and name HA) 4.0 2.2 1.0 ! 3.69e+05 at B.2115 assign (resid 4 and name HA) (resid 5 and name HB#) 4.0 2.2 1.0 ! 3.60e+05 at B.1667 ! D5 assign (resid 5 and name HB#) (resid 6 and name HN) 4.0 2.2 1.0 ! -3.90e+05 at B.1926 assign (resid 5 and name HA) (resid 6 and name HN) 2.5 0.7 0.4 ! 3.26e+06 at B.1933 ! I6 assign (resid 6 and name HG2#) (resid 7 and name HD#) 2.5 0.7 0.7 ! 1.93e+06 at B.889 assign (resid 6 and name HG2#) (resid 7 and name HA) 4.0 2.2 1.5 ! 5.74e+05 at B.1265 assign (resid 6 and name HD1#) (resid 7 and name HD#) 3.0 1.2 0.8 ! 1.10e+06 at B.890 assign (resid 6 and name HB) (resid 7 and name HD#) 4.0 2.2 1.0 ! -6.14e+05 at B.1181 assign (resid 6 and name HA) (resid 7 and name HD#) 2.5 0.7 0.2 ! 2.17e+06 at B.801 assign (resid 6 and name HA) (resid 7 and name HG#) 4.0 2.2 1.0 ! 4.68e+05 at B.1915 assign (resid 6 and name HG2#) (resid 9 and name HD1) 4.0 2.2 1.5 ! 2.97e+05 at B.1252 assign (resid 6 and name HG2#) (resid 10 and name HB#) 3.0 1.2 0.8 ! -7.80e+05 at B.1880 assign (resid 6 and name HG2#) (resid 11 and name HA) 3.0 1.2 0.8 ! 1.25e+06 at B.1350 assign (resid 6 and name HG2#) (resid 11 and name HB#) 3.0 1.2 0.8 ! -9.43e+05 at B.2396 assign (resid 6 and name HD1#) (resid 12 and name HN) 4.0 2.2 1.5 ! 2.30e+06 at A.230 assign (resid 6 and name HD1#) (resid 12 and name HE#) 3.0 1.2 0.8 ! 7.59e+05 at B.1924 assign (resid 6 and name HG#) (resid 12 and name HE#) 4.0 2.2 1.0 ! 3.73e+05 at B.1561 assign (resid 6 and name HG2#) (resid 18 and name HG#) 4.0 2.2 1.5 ! 5.42e+05 at B.1921 assign (resid 6 and name HB) (resid 51 and name HE#) 4.0 2.2 1.0 ! -3.54e+05 at B.2303 ! P7 assign (resid 7 and name HA) (resid 8 and name HN) 4.0 2.2 1.0 ! 2.74e+06 at D.19 assign (resid 7 and name HB#) (resid 8 and name HN) 4.0 2.2 1.0 ! -3.26e+05 at D.25 assign (resid 7 and name HA) (resid 8 and name HG2#) 3.0 1.2 0.8 ! 9.98e+05 at B.1028 assign (resid 7 and name HA) (resid 8 and name HB) 4.0 2.2 1.0 ! -5.54e+05 at B.1857 assign (resid 7 and name HA) (resid 9 and name HZ2) 4.0 2.2 2.0 ! 2.45e+05 at B.2312 assign (resid 7 and name HA) (resid 9 and name HD1) 4.0 2.2 1.0 ! 3.32e+05 at B.2317 assign (resid 7 and name HA) (resid 9 and name HN) 4.0 2.2 1.0 ! 2.77e+05 at B.2316 assign (resid 7 and name HB#) (resid 9 and name HH2) 4.0 2.2 1.0 ! 2.52e+05 at B.1278 assign (resid 7 and name HB#) (resid 9 and name HZ2) 4.0 2.2 1.0 ! 3.69e+05 at B.1826 assign (resid 7 and name HG#) (resid 9 and name HZ2) 4.0 2.2 1.0 ! 3.20e+05 at B.1827 assign (resid 7 and name HD#) (resid 10 and name HB#) 4.0 2.2 1.0 ! 2.66e+05 at B.1422 ! I8 assign (resid 8 and name HN) (resid 9 and name HN) 4.0 2.2 1.0 ! 4.14e+06 at A.672 assign (resid 8 and name HG2#) (resid 9 and name HB#) 4.0 2.2 1.5 ! 5.28e+05 at B.1027 assign (resid 8 and name HG2#) (resid 9 and name HE3) 3.0 1.2 0.8 ! 8.26e+05 at B.862 assign (resid 8 and name HG2#) (resid 9 and name HN) 4.0 2.2 1.5 ! 7.77e+05 at D.31 assign (resid 8 and name HG2#) (resid 9 and name HA) 3.0 1.2 0.8 ! 1.01e+06 at B.1029 assign (resid 8 and name HG2#) (resid 9 and name HZ3) 3.0 1.2 0.8 ! 1.11e+06 at B.878 assign (resid 8 and name HD1#) (resid 9 and name HZ3) 4.0 2.2 1.5 ! 3.26e+05 at B.880 assign (resid 8 and name HB) (resid 9 and name HN) 4.0 2.2 1.0 ! -4.64e+05 at D.29 assign (resid 8 and name HA) (resid 9 and name HN) 4.0 2.2 1.0 ! 2.51e+05 at B.574 assign (resid 8 and name HD1#) (resid 9 and name HH2) 4.0 2.2 1.5 ! 2.63e+05 at B.1279 assign (resid 8 and name HB) (resid 9 and name HH2) 4.0 2.2 1.0 ! 3.57e+05 at B.1277 assign (resid 8 and name HB) (resid 9 and name HE3) 4.0 2.2 1.0 ! 3.04e+05 at B.1688 assign (resid 8 and name HD1#) (resid 9 and name HN) 4.0 2.2 1.5 ! 3.41e+05 at D.30 assign (resid 8 and name HA) (resid 11 and name HD#) 3.0 1.2 0.3 ! -8.22e+05 at B.2390 assign (resid 8 and name HA) (resid 11 and name HB#) 4.0 2.2 1.0 ! 2.53e+05 at B.2398 assign (resid 8 and name HA) (resid 11 and name HG#) 4.0 2.2 1.0 ! 4.71e+05 at B.1247 assign (resid 8 and name HG1#) (resid 11 and name HB#) 4.0 2.2 1.0 ! -2.89e+05 at B.1503 assign (resid 8 and name HD1#) (resid 18 and name HN) 4.0 2.2 1.5 ! 5.07e+05 at B.1103 assign (resid 8 and name HG2#) (resid 22 and name HD#) 3.0 1.2 0.8 ! 8.37e+05 at B.1532 assign (resid 8 and name HG2#) (resid 22 and name HE#) 3.0 1.2 0.8 ! 8.82e+05 at B.697 assign (resid 8 and name HD1#) (resid 22 and name HE#) 3.0 1.2 0.8 ! 8.09e+05 at B.1806 assign (resid 8 and name HD1#) (resid 22 and name HD#) 3.0 1.2 0.8 ! 1.15e+06 at B.1533 assign (resid 8 and name HD1#) (resid 22 and name HB#) 3.0 1.2 0.8 ! 1.15e+06 at B.1629 assign (resid 8 and name HA) (resid 51 and name HE#) 4.0 2.2 1.0 ! 2.57e+05 at B.2318 ! W9 assign (resid 9 and name HA) (resid 10 and name HN) 4.0 2.2 1.0 ! 2.60e+06 at A.18 assign (resid 9 and name HN) (resid 10 and name HN) 4.0 2.2 1.0 ! 5.84e+06 at A.222 assign (resid 9 and name HD1) (resid 10 and name HG#) 3.0 1.2 0.3 ! 7.96e+05 at B.1664 assign (resid 9 and name HD1) (resid 10 and name HA) 4.0 2.2 1.0 ! 3.04e+05 at B.1253 assign (resid 9 and name HN) (resid 11 and name HN) 4.0 2.2 1.0 ! 1.86e+06 at A.229 assign (resid 9 and name HA) (resid 22 and name HE#) 4.0 2.2 1.0 ! 3.04e+05 at B.2319 assign (resid 9 and name HE3) (resid 22 and name HE#) 4.0 2.2 1.0 ! 3.10e+05 at B.1574 assign (resid 9 and name HB#) (resid 22 and name HE#) 4.0 2.2 1.0 ! 5.89e+05 at B.1378 ! E10 assign (resid 10 and name HA) (resid 11 and name HN) 4.0 2.2 1.0 ! 5.81e+05 at B.1876 assign (resid 10 and name HN) (resid 11 and name HN) 3.0 1.2 0.5 ! 1.37e+07 at A.225 ! R11 assign (resid 11 and name HD#) (resid 12 and name HN) 4.0 2.2 1.0 ! 3.08e+06 at A.28 assign (resid 11 and name HA) (resid 12 and name HN) 3.0 1.2 0.5 ! 1.26e+06 at B.954 assign (resid 11 and name HB#) (resid 12 and name HN) 4.0 2.2 1.0 ! 5.12e+06 at A.29 assign (resid 11 and name HN) (resid 12 and name HN) 4.0 2.2 1.0 ! 1.91e+06 at A.24 assign (resid 11 and name HB#) (resid 12 and name HD#) 4.0 2.2 1.0 ! 2.99e+05 at B.1647 assign (resid 11 and name HA) (resid 12 and name HB#) 4.0 2.2 1.0 ! 3.67e+05 at B.1842 assign (resid 11 and name HA) (resid 13 and name HN) 4.0 2.2 1.0 ! 3.59e+05 at B.1686 assign (resid 11 and name HD#) (resid 14 and name HG) 3.0 1.2 0.3 ! -8.08e+05 at B.2374 ! Y12 assign (resid 12 and name HN) (resid 13 and name HN) 4.0 2.2 1.0 ! 3.73e+06 at A.521 assign (resid 12 and name HB#) (resid 13 and name HN) 4.0 2.2 1.0 ! -3.00e+05 at B.835 assign (resid 12 and name HD#) (resid 13 and name HB) 4.0 2.2 1.0 ! 2.82e+05 at B.2200 assign (resid 12 and name HD#) (resid 13 and name HG2#) 2.5 0.7 0.7 ! 2.11e+06 at B.721 assign (resid 12 and name HD#) (resid 13 and name HN) 4.0 2.2 1.0 ! 5.17e+05 at B.1649 assign (resid 12 and name HN) (resid 13 and name HA) 4.0 2.2 1.0 ! 3.16e+05 at B.1678 assign (resid 12 and name HE#) (resid 13 and name HN) 4.0 2.2 1.0 ! 3.14e+05 at B.1690 assign (resid 12 and name HE#) (resid 13 and name HG2#) 2.5 0.7 0.7 ! 1.92e+06 at B.720 assign (resid 12 and name HN) (resid 13 and name HG2#) 4.0 2.2 1.5 ! -4.89e+05 at B.1385 assign (resid 12 and name HB#) (resid 13 and name HG2#) 4.0 2.2 1.5 ! -4.24e+05 at B.1968 assign (resid 12 and name HE#) (resid 44 and name HD1#) 3.0 1.2 0.8 ! 8.99e+05 at B.2230 assign (resid 12 and name HE#) (resid 44 and name HG#) 4.0 2.2 1.0 ! 3.97e+05 at B.1367 assign (resid 12 and name HD#) (resid 55 and name HD#) 4.0 2.2 1.0 ! 3.61e+05 at B.1555 ! T13 assign (resid 13 and name HA) (resid 14 and name HN) 3.0 1.2 0.5 ! 1.04e+06 at B.2 assign (resid 13 and name HB) (resid 14 and name HN) 3.0 1.2 0.5 ! 1.07e+06 at B.8 assign (resid 13 and name HN) (resid 14 and name HN) 4.0 2.2 1.0 ! 2.91e+06 at A.32 assign (resid 13 and name HB) (resid 14 and name HD*) 4.0 2.2 2.0 ! 2.52e+05 at B.1853 assign (resid 13 and name HB) (resid 14 and name HB#) 4.0 2.2 1.0 ! 3.50e+05 at B.1642 assign (resid 13 and name HA) (resid 14 and name HD*) 4.0 2.2 2.0 ! 3.51e+05 at B.1321 assign (resid 13 and name HA) (resid 14 and name HB#) 4.0 2.2 1.0 ! 5.55e+05 at B.1679 assign (resid 13 and name HG2#) (resid 14 and name HN) 3.0 1.2 1.0 ! -1.18e+06 at B.12 assign (resid 13 and name HB) (resid 15 and name HG2#) 4.0 2.2 1.5 ! -5.91e+05 at B.1390 assign (resid 13 and name HG2#) (resid 44 and name HN) 4.0 2.2 1.5 ! -2.85e+05 at B.2221 assign (resid 13 and name HB) (resid 51 and name HA) 4.0 2.2 1.0 ! 3.77e+05 at B.1641 assign (resid 13 and name HG2#) (resid 51 and name HG#) 3.0 1.2 0.8 ! -8.20e+05 at B.1577 assign (resid 13 and name HG2#) (resid 51 and name HA) 4.0 2.2 1.5 ! -3.28e+05 at B.2328 assign (resid 13 and name HB) (resid 52 and name HN) 4.0 2.2 1.0 ! 3.26e+05 at B.1639 assign (resid 13 and name HG2#) (resid 52 and name HN) 4.0 2.2 1.5 ! -2.75e+05 at B.2222 assign (resid 13 and name HB) (resid 53 and name HA) 4.0 2.2 1.0 ! 7.32e+05 at B.1975 assign (resid 13 and name HA) (resid 53 and name HA) 4.0 2.2 1.0 ! 5.13e+05 at B.2377 assign (resid 13 and name HG2#) (resid 53 and name HA) 3.0 1.2 0.8 ! -1.35e+06 at B.1589 assign (resid 13 and name HG2#) (resid 53 and name HG2) 3.0 1.2 0.8 ! -1.32e+06 at B.1404 assign (resid 13 and name HA) (resid 54 and name HN) 4.0 2.2 1.0 ! 6.22e+06 at A.483 assign (resid 13 and name HG2#) (resid 54 and name HD#) 4.0 2.2 1.5 ! -3.44e+05 at B.1967 assign (resid 13 and name HG2#) (resid 54 and name HN) 4.0 2.2 1.5 ! -4.89e+05 at D.4 assign (resid 13 and name HG2#) (resid 55 and name HD#) 3.0 1.2 0.8 ! -1.15e+06 at B.1938 assign (resid 13 and name HG2#) (resid 57 and name HB#) 4.0 2.2 1.5 ! -3.30e+05 at B.1969 ! L14 assign (resid 14 and name HG) (resid 15 and name HN) 3.0 1.2 0.5 ! -9.60e+05 at B.713 assign (resid 14 and name HD*) (resid 15 and name HN) 4.0 2.2 1.5 ! 1.85e+06 at A.46 assign (resid 14 and name HB#) (resid 15 and name HN) 4.0 2.2 1.0 ! 3.41e+06 at A.47 assign (resid 14 and name HG) (resid 18 and name HN) 4.0 2.2 1.0 ! -4.73e+05 at B.2368 assign (resid 14 and name HG) (resid 18 and name HB#) 4.0 2.2 1.0 ! -4.29e+05 at B.2209 assign (resid 14 and name HG) (resid 18 and name HA) 4.0 2.2 1.0 ! -6.12e+05 at B.1355 assign (resid 14 and name HG) (resid 18 and name HG#) 3.0 1.2 0.3 ! -1.01e+06 at B.1822 assign (resid 14 and name HB#) (resid 19 and name HN) 4.0 2.2 1.0 ! -2.83e+05 at B.1611 assign (resid 14 and name HD*) (resid 19 and name HA) 3.0 1.2 1.3 ! 1.38e+06 at B.1803 assign (resid 14 and name HG) (resid 19 and name HA) 4.0 2.2 1.0 ! 6.81e+05 at B.1363 assign (resid 14 and name HB#) (resid 19 and name HB#) 3.0 1.2 0.8 ! -1.18e+06 at B.1759 assign (resid 14 and name HD*) (resid 22 and name HD#) 3.0 1.2 1.3 ! 9.89e+05 at B.837 assign (resid 14 and name HD*) (resid 22 and name HB#) 4.0 2.2 1.5 ! -5.65e+05 at B.1702 assign (resid 14 and name HD*) (resid 22 and name HE#) 4.0 2.2 2.0 ! 7.16e+05 at B.839 assign (resid 14 and name HD*) (resid 23 and name HD#) 3.0 1.2 1.3 ! 8.42e+05 at B.825 assign (resid 14 and name HG) (resid 23 and name HE#) 4.0 2.2 1.0 ! -3.58e+05 at B.826 assign (resid 14 and name HD*) (resid 23 and name HZ) 4.0 2.2 1.5 ! -4.76e+05 at B.1680 assign (resid 14 and name HD*) (resid 23 and name HE#) 4.0 2.2 1.5 ! -7.36e+05 at B.793 assign (resid 14 and name HG) (resid 51 and name HE#) 4.0 2.2 1.0 ! -3.37e+05 at B.2215 assign (resid 14 and name HN) (resid 52 and name HN) 4.0 2.2 1.0 ! 7.79e+06 at A.237 assign (resid 14 and name HN) (resid 52 and name HA) 4.0 2.2 1.0 ! 1.99e+06 at A.665 assign (resid 14 and name HN) (resid 53 and name HA) 4.0 2.2 1.0 ! 2.48e+06 at A.236 assign (resid 14 and name HD1#) (resid 54 and name HA) 3.0 1.2 0.8 ! 8.73e+05 at B.1270 assign (resid 14 and name HD*) (resid 58 and name HG#) 4.0 2.2 1.5 ! -4.69e+05 at B.1704 ! T15 assign (resid 15 and name HA) (resid 16 and name HN) 3.0 1.2 0.5 ! 1.54e+06 at B.30 assign (resid 15 and name HG2#) (resid 16 and name HN) 2.5 0.7 0.9 ! -3.49e+06 at B.38 assign (resid 15 and name HB) (resid 16 and name HN) 3.0 1.2 0.5 ! 1.05e+06 at B.2194 assign (resid 15 and name HA) (resid 16 and name HD1#) 4.0 2.2 1.5 ! 5.89e+05 at B.1122 assign (resid 15 and name HB) (resid 16 and name HD1#) 4.0 2.2 1.5 ! 3.45e+05 at B.2175 assign (resid 15 and name HB) (resid 16 and name HB) 4.0 2.2 1.0 ! -4.05e+05 at B.832 assign (resid 15 and name HA) (resid 16 and name HB) 4.0 2.2 1.0 ! -3.58e+05 at B.833 assign (resid 15 and name HA) (resid 16 and name HG#) 4.0 2.2 1.0 ! 5.16e+05 at B.1941 assign (resid 15 and name HB) (resid 17 and name HN) 4.0 2.2 1.0 ! 6.27e+05 at D.37 assign (resid 15 and name HA) (resid 17 and name HN) 4.0 2.2 1.0 ! 2.60e+06 at A.242 assign (resid 15 and name HG2#) (resid 17 and name HN) 3.0 1.2 1.0 ! -1.07e+06 at B.1979 assign (resid 15 and name HN) (resid 18 and name HN) 4.0 2.2 1.0 ! 3.77e+06 at A.238 assign (resid 15 and name HB) (resid 18 and name HN) 4.0 2.2 1.0 ! 2.15e+06 at A.529 assign (resid 15 and name HG2#) (resid 18 and name HN) 4.0 2.2 1.5 ! -5.25e+05 at B.1588 assign (resid 15 and name HG2#) (resid 18 and name HB#) 3.0 1.2 0.8 ! -1.05e+06 at B.1934 assign (resid 15 and name HG2#) (resid 18 and name HG#) 3.0 1.2 0.8 ! -8.45e+05 at B.1936 assign (resid 15 and name HN) (resid 19 and name HN) 4.0 2.2 1.0 ! 2.05e+06 at A.524 assign (resid 15 and name HA) (resid 19 and name HB#) 4.0 2.2 1.5 ! -3.26e+05 at B.1961 assign (resid 15 and name HN) (resid 19 and name HB#) 4.0 2.2 1.5 ! -5.78e+05 at B.1433 assign (resid 15 and name HB) (resid 19 and name HB#) 4.0 2.2 1.5 ! -3.79e+05 at B.1960 assign (resid 15 and name HG2#) (resid 44 and name HG#) 4.0 2.2 1.5 ! -6.63e+05 at B.1403 assign (resid 15 and name HG2#) (resid 49 and name HD#) 4.0 2.2 1.5 ! -5.96e+05 at B.1391 assign (resid 15 and name HG2#) (resid 49 and name HB#) 3.0 1.2 0.8 ! -9.16e+05 at B.1937 assign (resid 15 and name HG2#) (resid 51 and name HG#) 4.0 2.2 1.5 ! -6.02e+05 at B.2216 assign (resid 15 and name HA) (resid 51 and name HG#) 4.0 2.2 1.0 ! 4.58e+05 at B.1582 assign (resid 15 and name HG2#) (resid 51 and name HG2) 3.0 1.2 0.8 ! -9.95e+05 at B.1399 assign (resid 15 and name HG2#) (resid 51 and name HE#) 4.0 2.2 1.5 ! -5.20e+05 at B.1387 assign (resid 15 and name HA) (resid 52 and name HD1#) 4.0 2.2 1.5 ! 4.09e+05 at B.2177 assign (resid 15 and name HA) (resid 52 and name HB) 4.0 2.2 1.0 ! -6.81e+05 at B.2193 ! I16 assign (resid 16 and name HN) (resid 17 and name HN) 4.0 2.2 1.0 ! 7.13e+06 at A.60 assign (resid 16 and name HG2#) (resid 17 and name HN) 2.5 0.7 0.9 ! 1.97e+06 at B.1771 assign (resid 16 and name HB) (resid 17 and name HN) 4.0 2.2 1.0 ! -5.52e+05 at B.51 assign (resid 16 and name HG1#) (resid 17 and name HN) 4.0 2.2 1.0 ! 4.31e+06 at A.69 assign (resid 16 and name HA) (resid 17 and name HN) 3.0 1.2 0.5 ! 8.17e+05 at B.47 assign (resid 16 and name HD1#) (resid 17 and name HN) 4.0 2.2 1.5 ! 1.74e+06 at A.70 assign (resid 16 and name HA) (resid 19 and name HN) 4.0 2.2 1.0 ! 2.55e+05 at B.48 assign (resid 16 and name HA) (resid 19 and name HB#) 3.0 1.2 0.8 ! -1.25e+06 at B.871 assign (resid 16 and name HG2#) (resid 19 and name HB#) 3.0 1.2 1.3 ! -8.16e+05 at B.1447 assign (resid 16 and name HB) (resid 19 and name HB#) 4.0 2.2 1.5 ! -7.05e+05 at B.1939 assign (resid 16 and name HA) (resid 20 and name HN) 4.0 2.2 1.0 ! 2.94e+06 at A.254 assign (resid 16 and name HG2#) (resid 20 and name HN) 2.5 0.7 0.9 ! 1.94e+06 at B.2042 assign (resid 16 and name HG2#) (resid 20 and name HB#) 4.0 2.2 1.5 ! 6.57e+05 at B.1255 assign (resid 16 and name HG2#) (resid 27 and name HA) 2.5 0.7 0.7 ! 2.47e+06 at B.1773 assign (resid 16 and name HG2#) (resid 27 and name HG#) 2.5 0.7 0.7 ! 2.05e+06 at B.2224 assign (resid 16 and name HD1#) (resid 27 and name HG#) 4.0 2.2 1.5 ! -4.48e+05 at B.922 assign (resid 16 and name HD1#) (resid 28 and name HN) 4.0 2.2 1.5 ! 3.71e+05 at B.1118 assign (resid 16 and name HD1#) (resid 29 and name HN) 4.0 2.2 1.5 ! 6.07e+05 at B.2173 assign (resid 16 and name HD1#) (resid 30 and name HA) 3.0 1.2 0.8 ! 8.64e+05 at B.1123 assign (resid 16 and name HD1#) (resid 30 and name HN) 4.0 2.2 1.5 ! 3.99e+05 at B.1634 assign (resid 16 and name HA) (resid 30 and name HD*) 3.0 1.2 1.3 ! 1.03e+06 at B.895 assign (resid 16 and name HD1#) (resid 31 and name HA) 2.5 0.7 0.7 ! 1.80e+06 at B.899 assign (resid 16 and name HD1#) (resid 31 and name HN) 3.0 1.2 1.0 ! 1.52e+06 at B.936 assign (resid 16 and name HA) (resid 50 and name HG2#) 4.0 2.2 1.5 ! 4.25e+05 at B.2276 assign (resid 16 and name HD1#) (resid 52 and name HD1#) 2.5 0.7 1.2 ! 3.01e+06 at B.1635 assign (resid 16 and name HA) (resid 52 and name HD1#) 3.0 1.2 0.8 ! 7.68e+05 at B.896 assign (resid 16 and name HG1#) (resid 52 and name HD1#) 4.0 2.2 1.5 ! -6.65e+05 at B.1903 ! E17 assign (resid 17 and name HN) (resid 18 and name HN) 4.0 2.2 1.0 ! 8.90e+06 at A.71 assign (resid 17 and name HB#) (resid 18 and name HN) 4.0 2.2 1.0 ! 7.12e+06 at A.527 assign (resid 17 and name HA) (resid 18 and name HN) 4.0 2.2 1.0 ! 2.68e+05 at B.78 assign (resid 17 and name HB#) (resid 18 and name HA) 4.0 2.2 1.0 ! 7.48e+05 at B.1324 assign (resid 17 and name HN) (resid 20 and name HB#) 4.0 2.2 1.0 ! 3.86e+05 at D.38 ! E18 assign (resid 18 and name HA) (resid 19 and name HN) 4.0 2.2 1.0 ! 4.06e+05 at B.101 assign (resid 18 and name HB#) (resid 19 and name HN) 3.0 1.2 0.5 ! 1.19e+07 at A.78 assign (resid 18 and name HN) (resid 19 and name HN) 3.0 1.2 0.5 ! 1.27e+07 at A.72 assign (resid 18 and name HN) (resid 20 and name HN) 4.0 2.2 1.0 ! 1.50e+06 at A.664 assign (resid 18 and name HA) (resid 21 and name HB#) 4.0 2.2 1.0 ! -6.05e+05 at B.1895 ! A19 assign (resid 19 and name HN) (resid 20 and name HN) 3.0 1.2 0.5 ! 1.44e+07 at A.84 assign (resid 19 and name HB#) (resid 20 and name HN) 3.0 1.2 1.0 ! -1.05e+06 at B.853 assign (resid 19 and name HB#) (resid 20 and name HB#) 4.0 2.2 1.5 ! 4.87e+05 at B.1665 assign (resid 19 and name HA) (resid 22 and name HB#) 4.0 2.2 1.0 ! 4.90e+05 at B.1365 assign (resid 19 and name HA) (resid 22 and name HN) 4.0 2.2 1.0 ! 4.93e+05 at D.2 assign (resid 19 and name HA) (resid 23 and name HD#) 4.0 2.2 1.0 ! 4.89e+05 at B.929 assign (resid 19 and name HB#) (resid 23 and name HD#) 3.0 1.2 0.8 ! -1.41e+06 at B.847 assign (resid 19 and name HA) (resid 23 and name HN) 4.0 2.2 1.0 ! 2.84e+05 at B.1978 assign (resid 19 and name HB#) (resid 23 and name HN) 4.0 2.2 1.5 ! -3.76e+05 at B.1757 assign (resid 19 and name HB#) (resid 25 and name HG#) 3.0 1.2 0.8 ! -1.05e+06 at B.2156 assign (resid 19 and name HB#) (resid 30 and name HD*) 2.5 0.7 1.7 ! -3.23e+06 at B.1750 assign (resid 19 and name HB#) (resid 52 and name HG2#) 3.0 1.2 1.3 ! 1.57e+06 at B.2223 assign (resid 19 and name HB#) (resid 52 and name HD1#) 2.5 0.7 1.2 ! -4.04e+06 at B.1748 assign (resid 19 and name HB#) (resid 52 and name HG#) 3.0 1.2 0.8 ! -1.05e+06 at B.2155 assign (resid 19 and name HB#) (resid 52 and name HB) 3.0 1.2 0.8 ! -1.46e+06 at B.1758 assign (resid 19 and name HB#) (resid 57 and name HD#) 4.0 2.2 1.5 ! -3.08e+05 at B.2078 ! S20 assign (resid 20 and name HN) (resid 21 and name HN) 3.0 1.2 0.5 ! 1.45e+07 at A.85 assign (resid 20 and name HB#) (resid 21 and name HN) 4.0 2.2 1.0 ! 7.30e+05 at B.113 assign (resid 20 and name HA) (resid 21 and name HN) 4.0 2.2 1.0 ! 3.86e+06 at A.91 assign (resid 20 and name HB#) (resid 21 and name HB#) 4.0 2.2 1.0 ! 5.86e+05 at B.1258 assign (resid 20 and name HB#) (resid 24 and name HG#) 4.0 2.2 1.0 ! 4.24e+05 at B.1709 assign (resid 20 and name HA) (resid 25 and name HN) 4.0 2.2 1.0 ! 3.75e+05 at B.2339 assign (resid 20 and name HB#) (resid 27 and name HG#) 4.0 2.2 1.0 ! 7.16e+05 at B.1259 assign (resid 20 and name HN) (resid 27 and name HG#) 4.0 2.2 1.0 ! -3.10e+05 at B.1860 assign (resid 20 and name HB#) (resid 27 and name HA) 3.0 1.2 0.3 ! 7.81e+05 at B.1863 assign (resid 20 and name HN) (resid 30 and name HD*) 4.0 2.2 1.5 ! -1.04e+06 at D.11 assign (resid 20 and name HB#) (resid 30 and name HD*) 2.5 0.7 0.7 ! -2.16e+06 at B.909 assign (resid 20 and name HA) (resid 30 and name HD*) 3.0 1.2 0.8 ! -9.60e+05 at B.906 ! K21 assign (resid 21 and name HA) (resid 22 and name HN) 3.0 1.2 0.5 ! 1.51e+07 at A.104 assign (resid 21 and name HE#) (resid 22 and name HN) 3.0 1.2 0.5 ! 1.24e+07 at A.106 assign (resid 21 and name HN) (resid 22 and name HN) 3.0 1.2 0.5 ! 1.35e+07 at A.90 assign (resid 21 and name HB#) (resid 22 and name HN) 3.0 1.2 0.5 ! -8.56e+05 at B.1897 assign (resid 21 and name HG#) (resid 22 and name HN) 4.0 2.2 1.0 ! -3.18e+05 at B.1865 ! Y22 assign (resid 22 and name HN) (resid 23 and name HN) 3.0 1.2 0.5 ! 1.07e+07 at A.107 assign (resid 22 and name HN) (resid 23 and name HD#) 4.0 2.2 1.0 ! 2.53e+06 at A.264 assign (resid 22 and name HA) (resid 23 and name HN) 4.0 2.2 1.0 ! 3.11e+06 at A.112 assign (resid 22 and name HB#) (resid 23 and name HN) 4.0 2.2 1.0 ! 8.12e+06 at A.114 assign (resid 22 and name HD#) (resid 23 and name HE#) 4.0 2.2 1.0 ! 5.82e+05 at B.1652 assign (resid 22 and name HD#) (resid 23 and name HN) 4.0 2.2 1.0 ! 3.44e+05 at B.1650 assign (resid 22 and name HD#) (resid 23 and name HD#) 4.0 2.2 1.0 ! 5.15e+05 at B.1653 assign (resid 22 and name HB#) (resid 23 and name HD#) 4.0 2.2 1.0 ! 2.67e+05 at B.1654 assign (resid 22 and name HD#) (resid 23 and name HZ) 4.0 2.2 1.0 ! 3.14e+05 at B.1651 assign (resid 22 and name HE#) (resid 23 and name HD#) 4.0 2.2 1.0 ! 2.96e+05 at B.1573 assign (resid 22 and name HE#) (resid 23 and name HE#) 3.0 1.2 0.3 ! 7.63e+05 at B.1570 assign (resid 22 and name HE#) (resid 23 and name HZ) 4.0 2.2 1.0 ! 5.26e+05 at B.1572 assign (resid 22 and name HN) (resid 24 and name HD#) 4.0 2.2 1.0 ! -6.44e+05 at B.1727 assign (resid 22 and name HE#) (resid 54 and name HA) 4.0 2.2 1.0 ! 2.81e+05 at B.1380 assign (resid 22 and name HE#) (resid 58 and name HG#) 4.0 2.2 1.0 ! 4.18e+05 at B.1804 ! F23 assign (resid 23 and name HA) (resid 24 and name HN) 4.0 2.2 1.0 ! 2.85e+06 at A.512 assign (resid 23 and name HN) (resid 24 and name HN) 3.0 1.2 0.5 ! 1.59e+07 at A.108 assign (resid 23 and name HB#) (resid 24 and name HN) 4.0 2.2 1.0 ! 2.19e+06 at A.520 assign (resid 23 and name HN) (resid 25 and name HN) 4.0 2.2 1.0 ! 1.91e+06 at A.661 assign (resid 23 and name HD#) (resid 25 and name HG2#) 4.0 2.2 1.5 ! 6.55e+05 at B.2296 assign (resid 23 and name HE#) (resid 25 and name HD1#) 4.0 2.2 1.5 ! 5.72e+05 at B.2232 assign (resid 23 and name HB#) (resid 25 and name HD1#) 4.0 2.2 1.5 ! -3.77e+05 at B.2093 assign (resid 23 and name HD#) (resid 25 and name HD1#) 4.0 2.2 1.5 ! 5.43e+05 at B.1071 assign (resid 23 and name HD#) (resid 30 and name HD*) 4.0 2.2 2.0 ! 6.09e+05 at B.844 assign (resid 23 and name HE#) (resid 52 and name HG2#) 4.0 2.2 1.5 ! 6.82e+05 at B.1595 assign (resid 23 and name HE#) (resid 54 and name HA) 4.0 2.2 1.0 ! 3.00e+05 at B.1929 assign (resid 23 and name HE#) (resid 57 and name HD#) 4.0 2.2 1.0 ! 2.77e+05 at B.2023 assign (resid 23 and name HD#) (resid 57 and name HD#) 4.0 2.2 1.0 ! 6.62e+05 at B.814 assign (resid 23 and name HD#) (resid 57 and name HE#) 4.0 2.2 1.0 ! 2.63e+05 at B.1698 assign (resid 23 and name HZ) (resid 58 and name HG#) 4.0 2.2 1.0 ! -3.03e+05 at B.1657 assign (resid 23 and name HE#) (resid 58 and name HG#) 4.0 2.2 1.0 ! -3.78e+05 at B.1658 assign (resid 23 and name HE#) (resid 58 and name HA) 4.0 2.2 1.0 ! 4.60e+05 at B.828 assign (resid 23 and name HE#) (resid 60 and name HD1#) 4.0 2.2 1.5 ! 3.06e+05 at B.2030 assign (resid 23 and name HD#) (resid 61 and name HG2#) 4.0 2.2 1.5 ! 5.05e+05 at B.1042 assign (resid 23 and name HB#) (resid 61 and name HD1#) 4.0 2.2 1.5 ! -5.31e+05 at B.2095 assign (resid 23 and name HE#) (resid 61 and name HD1#) 4.0 2.2 1.5 ! 3.79e+05 at B.1613 assign (resid 23 and name HA) (resid 61 and name HD1#) 4.0 2.2 1.5 ! 3.03e+05 at B.1913 assign (resid 23 and name HD#) (resid 61 and name HD1#) 4.0 2.2 1.5 ! 7.08e+05 at B.1732 assign (resid 23 and name HD#) (resid 61 and name HG#) 4.0 2.2 1.0 ! 3.35e+05 at B.1207 assign (resid 23 and name HE#) (resid 61 and name HB) 4.0 2.2 1.0 ! -2.91e+05 at B.2324 assign (resid 23 and name HE#) (resid 64 and name HD1#) 4.0 2.2 1.5 ! -4.76e+05 at B.2341 assign (resid 23 and name HE#) (resid 64 and name HD2#) 4.0 2.2 1.5 ! -7.48e+05 at B.2076 ! R24 assign (resid 24 and name HG#) (resid 25 and name HN) 4.0 2.2 1.0 ! 1.93e+06 at A.515 assign (resid 24 and name HN) (resid 25 and name HN) 4.0 2.2 1.0 ! 8.64e+06 at A.116 assign (resid 24 and name HA) (resid 25 and name HN) 4.0 2.2 1.0 ! 7.07e+05 at B.2212 assign (resid 24 and name HN) (resid 25 and name HD1#) 4.0 2.2 1.5 ! 2.28e+06 at A.660 assign (resid 24 and name HB#) (resid 25 and name HD1#) 3.0 1.2 0.8 ! 1.46e+06 at B.2229 assign (resid 24 and name HD#) (resid 25 and name HN) 4.0 2.2 1.0 ! -4.79e+05 at B.1948 assign (resid 24 and name HN) (resid 61 and name HG1#) 4.0 2.2 1.0 ! 3.64e+06 at A.659 ! I25 assign (resid 25 and name HG2#) (resid 26 and name HN) 3.0 1.2 1.0 ! 1.10e+07 at A.128 assign (resid 25 and name HA) (resid 26 and name HN) 3.0 1.2 0.5 ! 1.50e+06 at B.1904 assign (resid 25 and name HG1#) (resid 26 and name HN) 4.0 2.2 1.0 ! 2.74e+06 at A.129 assign (resid 25 and name HB) (resid 26 and name HN) 4.0 2.2 1.0 ! -3.28e+05 at B.1513 assign (resid 25 and name HN) (resid 26 and name HN) 4.0 2.2 1.0 ! 2.02e+06 at A.278 assign (resid 25 and name HD1#) (resid 26 and name HN) 4.0 2.2 1.5 ! 2.04e+06 at A.275 assign (resid 25 and name HA) (resid 26 and name HA1) 4.0 2.2 1.0 ! -4.38e+05 at B.1610 assign (resid 25 and name HA) (resid 26 and name HA#) 4.0 2.2 1.0 ! 6.04e+05 at B.1911 assign (resid 25 and name HG2#) (resid 29 and name HN) 3.0 1.2 1.0 ! 8.98e+05 at B.2295 assign (resid 25 and name HG2#) (resid 29 and name HD#) 2.5 0.7 0.7 ! 2.76e+06 at B.2169 assign (resid 25 and name HG2#) (resid 30 and name HD*) 2.5 0.7 1.7 ! 4.36e+06 at B.1524 assign (resid 25 and name HD1#) (resid 57 and name HE#) 3.0 1.2 0.8 ! 9.95e+05 at B.1619 assign (resid 25 and name HD1#) (resid 57 and name HZ) 3.0 1.2 0.8 ! 8.67e+05 at B.1618 assign (resid 25 and name HD1#) (resid 57 and name HD#) 4.0 2.2 1.5 ! 3.87e+05 at B.2233 assign (resid 25 and name HD1#) (resid 61 and name HA) 4.0 2.2 1.5 ! 3.99e+05 at B.1734 assign (resid 25 and name HB) (resid 61 and name HD1#) 4.0 2.2 1.5 ! 4.44e+05 at B.2265 ! G26 assign (resid 26 and name HA1) (resid 27 and name HN) 3.0 1.2 0.5 ! -1.43e+06 at B.159 assign (resid 26 and name HA1) (resid 27 and name HB#) 4.0 2.2 1.0 ! -3.83e+05 at B.1609 assign (resid 26 and name HA#) (resid 27 and name HG#) 4.0 2.2 1.0 ! -7.08e+05 at B.1782 assign (resid 26 and name HA#) (resid 29 and name HB#) 4.0 2.2 1.0 ! -4.12e+05 at B.1774 ! E27 assign (resid 27 and name HN) (resid 28 and name HN) 3.0 1.2 0.5 ! 1.01e+07 at A.136 assign (resid 27 and name HA) (resid 28 and name HN) 4.0 2.2 1.0 ! 5.83e+05 at B.161 assign (resid 27 and name HG#) (resid 28 and name HN) 4.0 2.2 2.0 ! -2.33e+05 at B.1660 assign (resid 27 and name HB#) (resid 28 and name HN) 4.0 2.2 1.0 ! -6.02e+05 at B.170 assign (resid 27 and name HA) (resid 30 and name HN) 4.0 2.2 1.0 ! 4.76e+05 at B.162 ! N28 assign (resid 28 and name HN) (resid 29 and name HN) 3.0 1.2 0.5 ! 2.65e+07 at A.137 assign (resid 28 and name HA) (resid 29 and name HN) 4.0 2.2 1.0 ! 6.45e+05 at B.187 assign (resid 28 and name HB#) (resid 29 and name HN) 3.0 1.2 0.5 ! -7.91e+05 at B.195 assign (resid 28 and name HA) (resid 30 and name HN) 4.0 2.2 1.0 ! 2.05e+06 at A.292 assign (resid 28 and name HB#) (resid 30 and name HN) 4.0 2.2 1.0 ! 1.44e+06 at A.657 assign (resid 28 and name HN) (resid 30 and name HN) 4.0 2.2 1.0 ! 2.69e+06 at A.284 assign (resid 28 and name HA) (resid 31 and name HN) 4.0 2.2 1.0 ! 7.11e+05 at D.3 assign (resid 28 and name HA) (resid 31 and name HD#) 4.0 2.2 1.0 ! -3.82e+05 at B.1724 assign (resid 28 and name HA) (resid 32 and name HN) 4.0 2.2 1.0 ! 2.06e+06 at A.301 ! K29 assign (resid 29 and name HN) (resid 30 and name HN) 3.0 1.2 0.5 ! 2.00e+07 at A.155 assign (resid 29 and name HB#) (resid 30 and name HN) 4.0 2.2 1.0 ! -6.39e+05 at B.199 assign (resid 29 and name HA) (resid 30 and name HN) 4.0 2.2 1.0 ! 5.26e+05 at B.247 assign (resid 29 and name HD#) (resid 30 and name HN) 3.0 1.2 0.5 ! 1.84e+07 at A.164 assign (resid 29 and name HN) (resid 31 and name HN) 4.0 2.2 1.0 ! 2.22e+06 at A.299 ! L30 assign (resid 30 and name HN) (resid 31 and name HN) 3.0 1.2 0.5 ! 1.52e+07 at A.297 assign (resid 30 and name HA) (resid 31 and name HN) 4.0 2.2 1.0 ! 3.44e+05 at B.204 assign (resid 30 and name HD*) (resid 31 and name HN) 4.0 2.2 1.5 ! 6.64e+06 at A.295 assign (resid 30 and name HB#) (resid 31 and name HA) 4.0 2.2 1.0 ! -4.29e+05 at B.1776 assign (resid 30 and name HB#) (resid 31 and name HN) 4.0 2.2 1.0 ! -5.65e+05 at B.213 assign (resid 30 and name HN) (resid 32 and name HN) 4.0 2.2 1.0 ! 1.87e+06 at A.293 assign (resid 30 and name HA) (resid 33 and name HN) 3.0 1.2 0.5 ! 1.73e+07 at A.186 assign (resid 30 and name HA) (resid 33 and name HB#) 4.0 2.2 1.0 ! 4.88e+05 at B.1329 assign (resid 30 and name HD*) (resid 42 and name HH2) 4.0 2.2 2.0 ! 4.19e+05 at B.797 assign (resid 30 and name HA) (resid 52 and name HD1#) 3.0 1.2 0.8 ! 8.06e+05 at B.1726 assign (resid 30 and name HD*) (resid 57 and name HD#) 4.0 2.2 2.0 ! 6.41e+05 at B.813 assign (resid 30 and name HD*) (resid 57 and name HE#) 3.0 1.2 1.3 ! 8.51e+05 at B.768 assign (resid 30 and name HD*) (resid 57 and name HZ) 3.0 1.2 0.8 ! -9.29e+05 at B.760 ! R31 assign (resid 31 and name HN) (resid 32 and name HN) 3.0 1.2 0.5 ! 1.83e+07 at A.298 assign (resid 31 and name HA) (resid 32 and name HN) 4.0 2.2 1.0 ! 4.78e+06 at A.175 assign (resid 31 and name HG#) (resid 32 and name HN) 4.0 2.2 1.0 ! 4.94e+06 at A.179 assign (resid 31 and name HB#) (resid 32 and name HN) 2.5 0.7 0.4 ! 4.59e+07 at A.181 assign (resid 31 and name HA) (resid 34 and name HN) 4.0 2.2 1.0 ! 6.16e+06 at A.197 assign (resid 31 and name HA) (resid 34 and name HB#) 3.0 1.2 0.8 ! -1.50e+06 at B.1436 assign (resid 31 and name HA) (resid 50 and name HG2#) 4.0 2.2 1.5 ! 4.03e+05 at B.1563 assign (resid 31 and name HA) (resid 50 and name HD1#) 3.0 1.2 0.8 ! 1.03e+06 at B.2122 assign (resid 31 and name HD#) (resid 50 and name HD1#) 4.0 2.2 1.5 ! 4.70e+05 at B.2121 assign (resid 31 and name HN) (resid 52 and name HD1#) 4.0 2.2 1.5 ! 5.81e+05 at B.937 ! R32 assign (resid 32 and name HA) (resid 33 and name HN) 3.0 1.2 0.5 ! 1.73e+07 at A.185 assign (resid 32 and name HN) (resid 33 and name HN) 3.0 1.2 0.5 ! 1.49e+07 at A.173 assign (resid 32 and name HA) (resid 35 and name HN) 4.0 2.2 1.0 ! 7.04e+06 at A.210 assign (resid 32 and name HA) (resid 35 and name HG#) 4.0 2.2 1.0 ! -5.73e+05 at B.1711 ! L33 assign (resid 33 and name HN) (resid 34 and name HN) 3.0 1.2 0.5 ! 1.30e+07 at A.183 assign (resid 33 and name HG) (resid 34 and name HN) 4.0 2.2 1.0 ! 5.69e+06 at A.202 assign (resid 33 and name HB#) (resid 34 and name HN) 4.0 2.2 1.0 ! -4.74e+05 at B.1775 assign (resid 33 and name HA) (resid 34 and name HN) 4.0 2.2 1.0 ! 6.89e+05 at B.253 assign (resid 33 and name HD*) (resid 34 and name HN) 3.0 1.2 1.0 ! -1.28e+06 at B.1684 assign (resid 33 and name HN) (resid 34 and name HB#) 4.0 2.2 1.5 ! 3.13e+06 at A.303 assign (resid 33 and name HA) (resid 36 and name HN) 4.0 2.2 1.0 ! 4.95e+05 at B.1333 assign (resid 33 and name HD*) (resid 37 and name HD#) 3.0 1.2 0.8 ! -1.30e+06 at B.1800 assign (resid 33 and name HD*) (resid 37 and name HB#) 4.0 2.2 1.5 ! -5.45e+05 at B.986 assign (resid 33 and name HA) (resid 37 and name HB#) 4.0 2.2 1.0 ! 7.00e+05 at B.1331 assign (resid 33 and name HA) (resid 37 and name HN) 4.0 2.2 1.0 ! 7.85e+05 at D.12 assign (resid 33 and name HD*) (resid 42 and name HZ2) 4.0 2.2 1.5 ! -6.08e+05 at B.799 assign (resid 33 and name HG) (resid 42 and name HZ2) 4.0 2.2 1.0 ! -3.36e+05 at B.1768 assign (resid 33 and name HB#) (resid 42 and name HZ2) 4.0 2.2 1.0 ! -2.77e+05 at B.1767 assign (resid 33 and name HD*) (resid 42 and name HH2) 4.0 2.2 1.5 ! -5.46e+05 at B.798 assign (resid 33 and name HB#) (resid 42 and name HH2) 4.0 2.2 1.0 ! 3.89e+05 at B.1298 assign (resid 33 and name HG) (resid 42 and name HH2) 4.0 2.2 1.0 ! 3.02e+05 at B.1701 assign (resid 33 and name HD*) (resid 42 and name HE3) 4.0 2.2 1.5 ! -6.48e+05 at B.2214 assign (resid 33 and name HD*) (resid 57 and name HD#) 4.0 2.2 1.5 ! -4.41e+05 at B.817 assign (resid 33 and name HD*) (resid 57 and name HE#) 4.0 2.2 1.5 ! -7.38e+05 at B.816 assign (resid 33 and name HD*) (resid 57 and name HZ) 3.0 1.2 0.8 ! -8.41e+05 at B.1593 ! A34 assign (resid 34 and name HN) (resid 35 and name HN) 3.0 1.2 0.5 ! 1.51e+07 at A.203 assign (resid 34 and name HB#) (resid 35 and name HN) 3.0 1.2 1.0 ! -1.23e+06 at B.279 assign (resid 34 and name HA) (resid 35 and name HN) 4.0 2.2 1.0 ! 3.60e+05 at B.275 assign (resid 34 and name HB#) (resid 35 and name HG#) 4.0 2.2 1.5 ! -5.54e+05 at B.1444 assign (resid 34 and name HB#) (resid 35 and name HB#) 3.0 1.2 0.8 ! -7.86e+05 at B.1761 assign (resid 34 and name HA) (resid 37 and name HB#) 4.0 2.2 1.0 ! 5.72e+05 at B.1719 assign (resid 34 and name HA) (resid 37 and name HN) 4.0 2.2 1.0 ! 6.01e+05 at B.930 assign (resid 34 and name HB#) (resid 37 and name HN) 4.0 2.2 1.5 ! -4.73e+05 at B.1755 assign (resid 34 and name HN) (resid 42 and name HH2) 4.0 2.2 1.0 ! 3.79e+06 at A.306 assign (resid 34 and name HB#) (resid 42 and name HZ2) 4.0 2.2 1.5 ! -2.74e+05 at B.735 assign (resid 34 and name HA) (resid 42 and name HH2) 3.0 1.2 0.3 ! 8.34e+05 at B.730 assign (resid 34 and name HB#) (resid 42 and name HH2) 4.0 2.2 1.5 ! -6.59e+05 at B.733 assign (resid 34 and name HB#) (resid 42 and name HZ3) 4.0 2.2 1.5 ! -5.62e+05 at B.732 assign (resid 34 and name HA) (resid 42 and name HZ2) 4.0 2.2 1.0 ! 4.75e+05 at B.886 assign (resid 34 and name HA) (resid 42 and name HZ3) 4.0 2.2 1.0 ! 4.07e+05 at B.2402 assign (resid 34 and name HA) (resid 43 and name HD*) 3.0 1.2 1.3 ! 9.59e+05 at B.965 assign (resid 34 and name HA) (resid 43 and name HG) 3.0 1.2 0.3 ! 1.29e+06 at B.964 assign (resid 34 and name HB#) (resid 43 and name HD*) 2.5 0.7 1.7 ! -2.83e+06 at B.1749 assign (resid 34 and name HB#) (resid 43 and name HG) 2.5 0.7 0.7 ! -2.65e+06 at B.1747 assign (resid 34 and name HA) (resid 50 and name HG2#) 4.0 2.2 1.5 ! 3.92e+05 at B.1802 assign (resid 34 and name HB#) (resid 50 and name HG2#) 2.5 0.7 1.2 ! -3.25e+06 at B.1449 assign (resid 34 and name HA) (resid 50 and name HD1#) 4.0 2.2 1.5 ! 5.23e+05 at B.1801 assign (resid 34 and name HB#) (resid 50 and name HD1#) 2.5 0.7 1.2 ! -3.26e+06 at B.1751 assign (resid 34 and name HB#) (resid 52 and name HG#) 4.0 2.2 1.5 ! -4.77e+05 at B.2157 ! E35 assign (resid 35 and name HN) (resid 36 and name HN) 3.0 1.2 0.5 ! 3.39e+07 at A.204 assign (resid 35 and name HA) (resid 36 and name HN) 4.0 2.2 1.0 ! 6.12e+05 at B.282 assign (resid 35 and name HB#) (resid 36 and name HN) 3.0 1.2 0.5 ! -9.27e+05 at B.289 assign (resid 35 and name HG#) (resid 50 and name HD1#) 3.0 1.2 0.8 ! 1.12e+06 at B.2124 ! E36 assign (resid 36 and name HG#) (resid 37 and name HN) 3.0 1.2 0.5 ! -8.27e+05 at B.945 assign (resid 36 and name HN) (resid 37 and name HN) 3.0 1.2 0.5 ! 1.88e+07 at A.309 assign (resid 36 and name HA) (resid 37 and name HN) 3.0 1.2 0.5 ! 1.17e+06 at B.299 assign (resid 36 and name HB#) (resid 37 and name HN) 4.0 2.2 1.0 ! -6.35e+05 at B.1699 assign (resid 36 and name HB#) (resid 37 and name HD#) 4.0 2.2 1.0 ! 3.66e+06 at A.539 assign (resid 36 and name HA) (resid 38 and name HN) 4.0 2.2 1.0 ! 1.90e+06 at A.654 assign (resid 36 and name HN) (resid 50 and name HG2#) 4.0 2.2 2.5 ! 2.50e+05 at B.2274 ! N37 assign (resid 37 and name HB#) (resid 38 and name HN) 4.0 2.2 1.0 ! 3.34e+06 at A.332 assign (resid 37 and name HA) (resid 38 and name HN) 3.0 1.2 0.5 ! 9.38e+05 at B.310 assign (resid 37 and name HA) (resid 38 and name HA) 4.0 2.2 1.0 ! 6.25e+05 at B.942 assign (resid 37 and name HA) (resid 39 and name HN) 4.0 2.2 1.0 ! 4.18e+06 at A.348 assign (resid 37 and name HB#) (resid 40 and name HB#) 2.5 0.7 0.7 ! -2.55e+06 at B.985 assign (resid 37 and name HA) (resid 40 and name HB#) 4.0 2.2 1.5 ! -5.91e+05 at B.982 assign (resid 37 and name HD#) (resid 42 and name HZ2) 4.0 2.2 1.0 ! -2.79e+05 at B.991 assign (resid 37 and name HB#) (resid 42 and name HZ2) 4.0 2.2 1.0 ! -5.42e+05 at B.855 assign (resid 37 and name HN) (resid 42 and name HZ2) 4.0 2.2 1.0 ! -2.76e+05 at B.2066 assign (resid 37 and name HB#) (resid 42 and name HH2) 4.0 2.2 1.0 ! 3.67e+05 at B.1668 assign (resid 37 and name HB#) (resid 43 and name HG) 4.0 2.2 1.0 ! -5.73e+05 at B.2104 ! K38 assign (resid 38 and name HN) (resid 39 and name HN) 3.0 1.2 0.5 ! 1.31e+07 at A.350 assign (resid 38 and name HG#) (resid 39 and name HN) 4.0 2.2 1.0 ! 3.12e+06 at A.344 assign (resid 38 and name HA) (resid 39 and name HN) 3.0 1.2 0.5 ! 7.67e+05 at B.315 assign (resid 38 and name HD#) (resid 39 and name HN) 4.0 2.2 1.0 ! 7.63e+06 at A.345 assign (resid 38 and name HB#) (resid 39 and name HN) 4.0 2.2 1.0 ! -4.41e+05 at B.322 assign (resid 38 and name HA) (resid 40 and name HN) 4.0 2.2 1.0 ! 4.42e+06 at A.357 assign (resid 38 and name HN) (resid 40 and name HB#) 4.0 2.2 1.5 ! 2.29e+06 at A.337 assign (resid 38 and name HB#) (resid 43 and name HG) 4.0 2.2 1.0 ! -4.01e+05 at B.1663 assign (resid 38 and name HA) (resid 43 and name HG) 3.0 1.2 0.3 ! -1.68e+06 at B.961 assign (resid 38 and name HA) (resid 43 and name HD*) 3.0 1.2 0.8 ! -1.22e+06 at B.960 ! N39 assign (resid 39 and name HA) (resid 40 and name HN) 4.0 2.2 1.0 ! 5.82e+06 at A.358 assign (resid 39 and name HB1) (resid 40 and name HN) 4.0 2.2 1.0 ! 6.14e+06 at A.360 assign (resid 39 and name HN) (resid 40 and name HN) 3.0 1.2 0.5 ! 2.71e+07 at A.351 assign (resid 39 and name HB2) (resid 40 and name HN) 4.0 2.2 1.0 ! 1.89e+06 at A.361 assign (resid 39 and name HN) (resid 40 and name HB#) 4.0 2.2 1.5 ! -1.17e+06 at D.13 assign (resid 39 and name HN) (resid 43 and name HG) 4.0 2.2 1.0 ! -3.79e+05 at B.1677 ! A40 assign (resid 40 and name HN) (resid 41 and name HN) 4.0 2.2 1.0 ! 2.09e+06 at A.367 assign (resid 40 and name HA) (resid 41 and name HN) 2.5 0.7 0.4 ! 3.03e+06 at B.336 assign (resid 40 and name HB#) (resid 41 and name HN) 2.5 0.7 0.9 ! -2.09e+06 at B.339 assign (resid 40 and name HA) (resid 41 and name HB#) 4.0 2.2 1.0 ! 5.61e+05 at B.1418 assign (resid 40 and name HB#) (resid 41 and name HA) 4.0 2.2 1.5 ! -5.72e+05 at B.1696 assign (resid 40 and name HB#) (resid 41 and name HB#) 4.0 2.2 1.5 ! -7.15e+05 at B.2164 assign (resid 40 and name HA) (resid 42 and name HN) 4.0 2.2 1.0 ! 6.10e+05 at D.9 assign (resid 40 and name HB#) (resid 42 and name HZ2) 3.0 1.2 0.8 ! -1.40e+06 at B.1756 assign (resid 40 and name HA) (resid 42 and name HZ2) 4.0 2.2 1.0 ! -3.55e+05 at B.734 assign (resid 40 and name HB#) (resid 42 and name HD1) 3.0 1.2 0.8 ! 1.06e+06 at B.1661 assign (resid 40 and name HB#) (resid 42 and name HN) 4.0 2.2 1.5 ! -1.64e+06 at D.10 assign (resid 40 and name HN) (resid 43 and name HB#) 4.0 2.2 1.0 ! 2.47e+06 at A.355 assign (resid 40 and name HN) (resid 43 and name HG) 3.0 1.2 0.5 ! -9.74e+05 at B.1315 assign (resid 40 and name HN) (resid 43 and name HD*) 4.0 2.2 1.5 ! -6.85e+05 at B.1798 assign (resid 40 and name HB#) (resid 43 and name HB#) 3.0 1.2 0.8 ! -7.51e+05 at B.1753 ! N41 assign (resid 41 and name HN) (resid 42 and name HN) 3.0 1.2 0.5 ! 1.42e+07 at A.379 assign (resid 41 and name HA) (resid 42 and name HN) 4.0 2.2 1.0 ! 5.76e+05 at B.343 assign (resid 41 and name HB#) (resid 42 and name HN) 3.0 1.2 0.5 ! -1.06e+06 at B.1856 assign (resid 41 and name HN) (resid 42 and name HD1) 4.0 2.2 1.0 ! 3.57e+05 at B.1236 assign (resid 41 and name HA) (resid 43 and name HN) 4.0 2.2 1.0 ! 4.36e+05 at B.1576 ! W42 assign (resid 42 and name HB#) (resid 43 and name HN) 4.0 2.2 1.0 ! 2.18e+06 at A.390 assign (resid 42 and name HN) (resid 43 and name HN) 3.0 1.2 0.5 ! 1.53e+07 at A.381 assign (resid 42 and name HA) (resid 43 and name HN) 4.0 2.2 1.0 ! 6.70e+06 at A.389 assign (resid 42 and name HE3) (resid 43 and name HB#) 4.0 2.2 1.0 ! -4.33e+05 at B.1814 assign (resid 42 and name HZ3) (resid 43 and name HB#) 4.0 2.2 1.0 ! -3.16e+05 at B.1848 assign (resid 42 and name HH2) (resid 43 and name HG) 4.0 2.2 1.0 ! -6.33e+05 at B.1676 assign (resid 42 and name HZ3) (resid 43 and name HG) 4.0 2.2 1.0 ! -5.23e+05 at B.2102 assign (resid 42 and name HH2) (resid 43 and name HD*) 4.0 2.2 1.5 ! -5.47e+05 at B.1797 assign (resid 42 and name HH2) (resid 50 and name HG2#) 4.0 2.2 1.5 ! 2.61e+05 at B.2275 assign (resid 42 and name HZ3) (resid 50 and name HG2#) 4.0 2.2 1.5 ! 2.85e+05 at B.2272 assign (resid 42 and name HE3) (resid 50 and name HG2#) 4.0 2.2 1.5 ! 2.74e+05 at B.2273 assign (resid 42 and name HH2) (resid 50 and name HD1#) 4.0 2.2 1.5 ! 3.26e+05 at B.2128 assign (resid 42 and name HE3) (resid 52 and name HG2#) 3.0 1.2 0.8 ! 1.27e+06 at B.703 assign (resid 42 and name HZ3) (resid 52 and name HG2#) 4.0 2.2 1.5 ! 3.48e+05 at B.704 assign (resid 42 and name HH2) (resid 52 and name HD1#) 4.0 2.2 1.5 ! 3.30e+05 at B.755 assign (resid 42 and name HE3) (resid 52 and name HD1#) 2.5 0.7 0.7 ! 1.83e+06 at B.701 assign (resid 42 and name HZ3) (resid 52 and name HD1#) 2.5 0.7 0.7 ! 1.80e+06 at B.702 assign (resid 42 and name HA) (resid 53 and name HN) 4.0 2.2 1.0 ! 3.78e+06 at A.631 assign (resid 42 and name HA) (resid 53 and name HB#) 3.0 1.2 0.3 ! 9.78e+05 at B.1807 assign (resid 42 and name HD1) (resid 60 and name HD1#) 4.0 2.2 1.5 ! 4.54e+05 at B.1230 ! L43 assign (resid 43 and name HN) (resid 44 and name HN) 4.0 2.2 1.0 ! 1.44e+06 at A.650 assign (resid 43 and name HG) (resid 44 and name HN) 4.0 2.2 1.0 ! -7.50e+05 at B.750 assign (resid 43 and name HD*) (resid 44 and name HN) 3.0 1.2 1.0 ! -1.21e+06 at B.744 assign (resid 43 and name HA) (resid 44 and name HN) 2.5 0.7 0.4 ! 2.05e+06 at B.370 assign (resid 43 and name HB#) (resid 44 and name HN) 3.0 1.2 0.5 ! -8.06e+05 at B.821 assign (resid 43 and name HA) (resid 44 and name HA) 4.0 2.2 1.0 ! 4.62e+05 at B.1543 assign (resid 43 and name HG) (resid 45 and name HG#) 4.0 2.2 1.0 ! -2.98e+05 at B.2413 assign (resid 43 and name HD2#) (resid 45 and name HG#) 4.0 2.2 1.5 ! -6.67e+05 at B.2415 assign (resid 43 and name HG) (resid 50 and name HG2#) 4.0 2.2 1.5 ! -1.98e+06 at B.1319 assign (resid 43 and name HD*) (resid 51 and name HN) 4.0 2.2 2.5 ! -6.73e+05 at D.5 assign (resid 43 and name HA) (resid 52 and name HD1#) 4.0 2.2 1.5 ! 6.97e+05 at B.1725 assign (resid 43 and name HA) (resid 52 and name HA) 4.0 2.2 1.0 ! 6.38e+05 at B.2355 assign (resid 43 and name HA) (resid 53 and name HN) 4.0 2.2 1.0 ! 4.89e+06 at A.477 ! I44 assign (resid 44 and name HB) (resid 45 and name HN) 4.0 2.2 1.0 ! 2.01e+06 at A.415 assign (resid 44 and name HG2#) (resid 45 and name HN) 4.0 2.2 1.5 ! 5.23e+06 at A.418 assign (resid 44 and name HG1#) (resid 45 and name HN) 4.0 2.2 1.0 ! 1.85e+06 at A.649 assign (resid 44 and name HG2#) (resid 45 and name HA) 4.0 2.2 1.5 ! 8.37e+05 at B.2425 assign (resid 44 and name HG2#) (resid 46 and name HA) 4.0 2.2 1.5 ! 5.97e+05 at B.1770 assign (resid 44 and name HG2#) (resid 46 and name HB#) 3.0 1.2 0.8 ! 8.95e+05 at B.1738 assign (resid 44 and name HG2#) (resid 46 and name HD#) 3.0 1.2 0.8 ! 9.48e+05 at B.1019 assign (resid 44 and name HN) (resid 50 and name HG2#) 3.0 1.2 1.0 ! 8.70e+05 at B.1600 assign (resid 44 and name HG2#) (resid 51 and name HN) 3.0 1.2 1.0 ! 1.00e+06 at B.2338 assign (resid 44 and name HB) (resid 51 and name HG#) 4.0 2.2 1.0 ! -3.34e+05 at B.1851 assign (resid 44 and name HB) (resid 51 and name HN) 4.0 2.2 1.0 ! -3.37e+05 at B.1637 assign (resid 44 and name HG2#) (resid 51 and name HB#) 3.0 1.2 0.8 ! -1.10e+06 at B.1893 ! M45 assign (resid 45 and name HE#) (resid 46 and name HN) 3.0 1.2 1.0 ! 1.60e+06 at B.1916 assign (resid 45 and name HA) (resid 46 and name HB#) 4.0 2.2 1.0 ! 4.67e+05 at B.1567 assign (resid 45 and name HB#) (resid 46 and name HN) 3.0 1.2 0.5 ! -1.18e+06 at B.1662 assign (resid 45 and name HA) (resid 46 and name HA) 4.0 2.2 1.0 ! 6.11e+05 at B.2423 assign (resid 45 and name HA) (resid 46 and name HN) 2.5 0.7 0.4 ! 3.12e+06 at B.1544 assign (resid 45 and name HE#) (resid 47 and name HN) 4.0 2.2 1.5 ! 6.10e+05 at B.1053 assign (resid 45 and name HE#) (resid 48 and name HD#) 3.0 1.2 0.8 ! 1.22e+06 at B.1606 assign (resid 45 and name HE#) (resid 49 and name HN) 4.0 2.2 1.5 ! 6.92e+05 at D.6 assign (resid 45 and name HA) (resid 49 and name HN) 4.0 2.2 1.0 ! 4.52e+05 at D.14 assign (resid 45 and name HE#) (resid 50 and name HG2#) 2.5 0.7 1.2 ! 1.95e+06 at B.2284 assign (resid 45 and name HA) (resid 50 and name HG2#) 4.0 2.2 1.5 ! 6.70e+05 at B.2422 assign (resid 45 and name HG#) (resid 50 and name HG2#) 3.0 1.2 0.8 ! 7.59e+05 at B.2281 assign (resid 45 and name HE#) (resid 50 and name HD1#) 2.5 0.7 1.2 ! 3.11e+06 at B.2130 assign (resid 45 and name HA) (resid 50 and name HA) 3.0 1.2 0.3 ! 8.50e+05 at B.1706 assign (resid 45 and name HE#) (resid 50 and name HA) 4.0 2.2 1.5 ! 5.89e+05 at B.1784 assign (resid 45 and name HG#) (resid 50 and name HG1#) 4.0 2.2 1.0 ! -3.50e+05 at B.1669 assign (resid 45 and name HE#) (resid 50 and name HG1#) 4.0 2.2 1.5 ! -4.36e+05 at B.1672 assign (resid 45 and name HA) (resid 50 and name HG#) 4.0 2.2 1.0 ! 6.05e+05 at B.1409 assign (resid 45 and name HE#) (resid 51 and name HN) 4.0 2.2 1.5 ! 5.65e+05 at B.1608 assign (resid 45 and name HA) (resid 51 and name HN) 4.0 2.2 1.0 ! 5.95e+05 at B.2365 ! N46 assign (resid 46 and name HN) (resid 47 and name HN) 4.0 2.2 1.0 ! 2.71e+06 at A.438 assign (resid 46 and name HA) (resid 47 and name HN) 2.5 0.7 0.4 ! 3.90e+06 at B.425 assign (resid 46 and name HB#) (resid 47 and name HN) 4.0 2.2 1.0 ! -4.77e+05 at B.977 assign (resid 46 and name HA) (resid 47 and name HA#) 4.0 2.2 1.0 ! -5.10e+05 at B.434 assign (resid 46 and name HN) (resid 49 and name HN) 4.0 2.2 1.0 ! 3.77e+06 at A.433 assign (resid 46 and name HB#) (resid 49 and name HN) 4.0 2.2 1.0 ! -3.51e+05 at B.2090 assign (resid 46 and name HB#) (resid 49 and name HB#) 3.0 1.2 0.3 ! -9.41e+05 at B.2087 ! G47 assign (resid 47 and name HN) (resid 48 and name HN) 4.0 2.2 1.0 ! 2.89e+06 at A.440 assign (resid 47 and name HA#) (resid 48 and name HN) 2.5 0.7 0.4 ! -2.59e+06 at B.432 assign (resid 47 and name HN) (resid 48 and name HA) 4.0 2.2 1.0 ! 3.12e+06 at A.437 assign (resid 47 and name HA#) (resid 48 and name HA) 4.0 2.2 1.0 ! -4.55e+05 at B.436 assign (resid 47 and name HA#) (resid 48 and name HB#) 3.0 1.2 0.3 ! -7.87e+05 at B.1179 assign (resid 47 and name HA#) (resid 49 and name HN) 4.0 2.2 1.0 ! -7.76e+05 at D.8 assign (resid 47 and name HN) (resid 49 and name HN) 4.0 2.2 1.0 ! 1.98e+06 at A.439 ! N48 assign (resid 48 and name HN) (resid 49 and name HN) 3.0 1.2 0.5 ! 2.18e+07 at A.452 assign (resid 48 and name HB#) (resid 49 and name HN) 3.0 1.2 0.5 ! -1.13e+06 at B.442 assign (resid 48 and name HA) (resid 49 and name HN) 4.0 2.2 1.0 ! 6.55e+06 at A.454 ! R49 assign (resid 49 and name HN) (resid 50 and name HN) 4.0 2.2 1.0 ! 7.50e+06 at A.451 assign (resid 49 and name HB#) (resid 50 and name HN) 3.0 1.2 0.5 ! -1.67e+06 at B.857 assign (resid 49 and name HG#) (resid 50 and name HN) 4.0 2.2 1.0 ! -6.51e+05 at B.1309 assign (resid 49 and name HA) (resid 50 and name HN) 2.5 0.7 0.4 ! 3.91e+06 at B.444 ! I50 assign (resid 50 and name HN) (resid 51 and name HN) 4.0 2.2 1.0 ! 3.25e+06 at A.642 assign (resid 50 and name HA) (resid 51 and name HN) 3.0 1.2 0.5 ! 1.49e+06 at B.466 assign (resid 50 and name HG2#) (resid 51 and name HN) 3.0 1.2 1.0 ! 1.70e+06 at B.774 assign (resid 50 and name HG1#) (resid 51 and name HN) 4.0 2.2 1.0 ! 3.45e+06 at A.644 assign (resid 50 and name HG2#) (resid 51 and name HA) 4.0 2.2 1.5 ! 6.59e+05 at B.1743 assign (resid 50 and name HG2#) (resid 51 and name HG#) 4.0 2.2 1.5 ! 4.42e+05 at B.2282 assign (resid 50 and name HD1#) (resid 51 and name HN) 4.0 2.2 1.5 ! 6.76e+05 at B.2118 assign (resid 50 and name HG2#) (resid 52 and name HG#) 3.0 1.2 0.8 ! 9.39e+05 at B.2279 ! Q51 assign (resid 51 and name HA) (resid 52 and name HN) 3.0 1.2 0.5 ! 1.19e+06 at B.486 assign (resid 51 and name HG#) (resid 52 and name HN) 4.0 2.2 1.0 ! 2.44e+06 at A.638 assign (resid 51 and name HN) (resid 52 and name HN) 4.0 2.2 1.0 ! 3.11e+06 at A.34 ! I52 assign (resid 52 and name HA) (resid 53 and name HN) 3.0 1.2 0.5 ! 3.19e+07 at A.507 assign (resid 52 and name HN) (resid 53 and name HN) 4.0 2.2 1.0 ! 1.33e+06 at A.681 assign (resid 52 and name HG2#) (resid 53 and name HN) 3.0 1.2 1.0 ! 1.14e+06 at B.508 assign (resid 52 and name HD1#) (resid 53 and name HN) 3.0 1.2 1.0 ! 9.19e+05 at B.777 assign (resid 52 and name HB) (resid 53 and name HN) 4.0 2.2 1.0 ! -3.39e+05 at B.498 assign (resid 52 and name HG2#) (resid 54 and name HA) 3.0 1.2 0.8 ! 9.26e+05 at B.1740 assign (resid 52 and name HG2#) (resid 54 and name HN) 4.0 2.2 1.5 ! 3.87e+05 at B.1597 assign (resid 52 and name HG2#) (resid 57 and name HA) 4.0 2.2 1.5 ! 3.70e+05 at B.1831 assign (resid 52 and name HG2#) (resid 57 and name HB#) 3.0 1.2 0.8 ! -9.43e+05 at B.969 assign (resid 52 and name HG2#) (resid 57 and name HE#) 4.0 2.2 1.5 ! 4.58e+05 at B.790 assign (resid 52 and name HG2#) (resid 57 and name HN) 4.0 2.2 1.5 ! 6.45e+05 at B.1594 assign (resid 52 and name HG2#) (resid 57 and name HD#) 3.0 1.2 0.8 ! 1.23e+06 at B.757 assign (resid 52 and name HD1#) (resid 57 and name HZ) 4.0 2.2 1.5 ! 2.86e+05 at B.753 assign (resid 52 and name HD1#) (resid 57 and name HD#) 3.0 1.2 0.8 ! 1.23e+06 at B.758 assign (resid 52 and name HD1#) (resid 57 and name HE#) 3.0 1.2 0.8 ! 8.50e+05 at B.819 assign (resid 52 and name HD1#) (resid 57 and name HB#) 4.0 2.2 1.5 ! 5.15e+05 at B.1125 ! K53 assign (resid 53 and name HN) (resid 54 and name HN) 4.0 2.2 1.0 ! 1.87e+06 at A.627 assign (resid 53 and name HD#) (resid 54 and name HN) 4.0 2.2 1.0 ! 2.38e+06 at A.623 assign (resid 53 and name HA) (resid 54 and name HN) 4.0 2.2 1.0 ! 7.37e+05 at B.2376 assign (resid 53 and name HG#) (resid 54 and name HN) 4.0 2.2 1.0 ! 2.53e+06 at A.624 ! R54 assign (resid 54 and name HN) (resid 55 and name HN) 4.0 2.2 1.0 ! 4.59e+06 at A.487 assign (resid 54 and name HA) (resid 55 and name HN) 4.0 2.2 1.0 ! 2.62e+05 at B.521 ! K55 assign (resid 55 and name HN) (resid 56 and name HN) 3.0 1.2 0.5 ! 1.34e+07 at A.488 assign (resid 55 and name HA) (resid 58 and name HG#) 4.0 2.2 1.0 ! -2.95e+05 at B.1781 ! Q56 assign (resid 56 and name HB#) (resid 57 and name HN) 4.0 2.2 1.0 ! 7.82e+06 at A.611 assign (resid 56 and name HA) (resid 57 and name HN) 4.0 2.2 1.0 ! 6.05e+05 at B.711 assign (resid 56 and name HN) (resid 57 and name HN) 3.0 1.2 0.5 ! 1.47e+07 at A.489 assign (resid 56 and name HA) (resid 59 and name HN) 4.0 2.2 1.0 ! 5.00e+05 at B.710 ! F57 assign (resid 57 and name HN) (resid 58 and name HN) 4.0 2.2 1.0 ! 9.93e+06 at A.598 assign (resid 57 and name HB#) (resid 58 and name HN) 4.0 2.2 1.0 ! 5.80e+06 at A.602 assign (resid 57 and name HD#) (resid 58 and name HN) 4.0 2.2 1.0 ! 2.05e+06 at A.604 assign (resid 57 and name HB#) (resid 60 and name HD1#) 4.0 2.2 1.5 ! 3.72e+05 at B.2013 assign (resid 57 and name HA) (resid 60 and name HD1#) 4.0 2.2 1.5 ! 5.99e+05 at B.2016 assign (resid 57 and name HE#) (resid 60 and name HD1#) 4.0 2.2 1.5 ! 4.79e+05 at B.2019 assign (resid 57 and name HD#) (resid 60 and name HD1#) 4.0 2.2 1.5 ! 2.90e+05 at B.2025 assign (resid 57 and name HD#) (resid 60 and name HB) 4.0 2.2 1.0 ! 3.24e+05 at B.2027 assign (resid 57 and name HA) (resid 60 and name HG2#) 4.0 2.2 1.5 ! -4.21e+05 at B.2005 assign (resid 57 and name HD#) (resid 61 and name HG2#) 4.0 2.2 1.5 ! 3.62e+05 at B.1601 assign (resid 57 and name HE#) (resid 61 and name HG2#) 4.0 2.2 1.5 ! 4.21e+05 at B.1602 assign (resid 57 and name HZ) (resid 61 and name HD1#) 4.0 2.2 1.5 ! 3.24e+05 at B.1622 assign (resid 57 and name HE#) (resid 61 and name HD1#) 3.0 1.2 0.8 ! 9.51e+05 at B.1621 assign (resid 57 and name HD#) (resid 61 and name HD1#) 4.0 2.2 1.5 ! 5.41e+05 at B.1620 assign (resid 57 and name HZ) (resid 64 and name HD1#) 4.0 2.2 1.5 ! -3.47e+05 at B.2346 assign (resid 57 and name HE#) (resid 64 and name HD1#) 4.0 2.2 1.5 ! -3.62e+05 at B.2345 ! E58 assign (resid 58 and name HN) (resid 59 and name HN) 4.0 2.2 1.0 ! 9.21e+06 at A.589 assign (resid 58 and name HA) (resid 59 and name HN) 4.0 2.2 1.0 ! 4.23e+05 at B.712 assign (resid 58 and name HB#) (resid 59 and name HN) 4.0 2.2 1.0 ! 4.94e+06 at A.594 assign (resid 58 and name HB#) (resid 59 and name HG#) 4.0 2.2 1.0 ! -4.07e+05 at B.1874 assign (resid 58 and name HB#) (resid 61 and name HG2#) 4.0 2.2 1.5 ! 4.62e+05 at B.1920 assign (resid 58 and name HA) (resid 61 and name HG2#) 3.0 1.2 0.8 ! 1.11e+06 at B.876 assign (resid 58 and name HA) (resid 61 and name HD1#) 4.0 2.2 1.5 ! 3.73e+05 at B.1914 assign (resid 58 and name HA) (resid 61 and name HN) 4.0 2.2 1.0 ! 4.23e+05 at B.1506 ! K59 assign (resid 59 and name HB#) (resid 60 and name HD1#) 4.0 2.2 1.5 ! 3.29e+05 at B.2012 assign (resid 59 and name HB#) (resid 60 and name HG2#) 3.0 1.2 0.8 ! -8.22e+05 at B.2004 assign (resid 59 and name HA) (resid 60 and name HG2#) 4.0 2.2 1.5 ! 3.92e+05 at B.2235 assign (resid 59 and name HA) (resid 60 and name HG#) 4.0 2.2 1.0 ! 7.12e+05 at B.1326 assign (resid 59 and name HG#) (resid 60 and name HG2#) 4.0 2.2 1.5 ! -4.61e+05 at B.2263 assign (resid 59 and name HB#) (resid 63 and name HG2#) 4.0 2.2 1.5 ! -7.09e+05 at B.2336 ! I60 assign (resid 60 and name HD1#) (resid 61 and name HA) 4.0 2.2 1.5 ! 3.31e+05 at B.2015 assign (resid 60 and name HD1#) (resid 63 and name HG2#) 4.0 2.2 2.0 ! 3.50e+05 at B.2009 assign (resid 60 and name HA) (resid 63 and name HG2#) 4.0 2.2 1.5 ! 2.72e+05 at B.1985 assign (resid 60 and name HB) (resid 63 and name HG2#) 2.5 0.7 0.7 ! -2.82e+06 at B.2335 assign (resid 60 and name HG#) (resid 63 and name HG2#) 3.0 1.2 0.8 ! -9.07e+05 at B.2333 assign (resid 60 and name HG2#) (resid 63 and name HG2#) 4.0 2.2 2.0 ! -4.84e+05 at B.2000 assign (resid 60 and name HA) (resid 64 and name HD1#) 4.0 2.2 1.5 ! -6.36e+05 at B.2342 assign (resid 60 and name HD1#) (resid 64 and name HD1#) 4.0 2.2 2.0 ! -7.33e+05 at B.2343 assign (resid 60 and name HG#) (resid 64 and name HD1#) 3.0 1.2 0.8 ! -1.29e+06 at B.2142 assign (resid 60 and name HD1#) (resid 64 and name HD2#) 3.0 1.2 1.3 ! -8.57e+05 at B.2248 assign (resid 60 and name HG#) (resid 64 and name HD2#) 2.5 0.7 0.7 ! -2.21e+06 at B.2249 ! I61 assign (resid 61 and name HN) (resid 62 and name HN) 4.0 2.2 1.0 ! 3.64e+06 at A.586 assign (resid 61 and name HG2#) (resid 62 and name HB#) 4.0 2.2 1.5 ! 5.32e+05 at B.1604 assign (resid 61 and name HB) (resid 62 and name HN) 4.0 2.2 1.0 ! -2.81e+05 at B.690 assign (resid 61 and name HA) (resid 64 and name HD*) 3.0 1.2 1.3 ! 9.71e+05 at B.1262 assign (resid 61 and name HA) (resid 64 and name HD1#) 4.0 2.2 1.5 ! -5.39e+05 at B.2140 assign (resid 61 and name HA) (resid 64 and name HD2#) 4.0 2.2 1.5 ! -4.30e+05 at B.2363 assign (resid 61 and name HG#) (resid 64 and name HD2#) 4.0 2.2 1.5 ! -5.40e+05 at B.2256 ! D62 assign (resid 62 and name HN) (resid 63 and name HN) 4.0 2.2 1.0 ! 8.92e+06 at A.501 assign (resid 62 and name HB#) (resid 63 and name HN) 4.0 2.2 1.0 ! 5.93e+06 at A.584 ! T63 assign (resid 63 and name HN) (resid 64 and name HN) 3.0 1.2 0.5 ! 1.56e+07 at A.502 assign (resid 63 and name HG2#) (resid 64 and name HN) 4.0 2.2 1.5 ! -3.09e+05 at B.1886 assign (resid 63 and name HB) (resid 64 and name HG) 4.0 2.2 2.0 ! 2.50e+05 at B.2205 assign (resid 63 and name HG2#) (resid 64 and name HD1#) 3.0 1.2 1.3 ! -7.95e+05 at B.2330 assign (resid 63 and name HB) (resid 64 and name HD2#) 2.5 0.7 0.7 ! -2.44e+06 at B.2350 assign (resid 63 and name HG2#) (resid 64 and name HD2#) 3.0 1.2 1.3 ! -8.06e+05 at B.2250 assign (resid 63 and name HG2#) (resid 64 and name HB#) 3.0 1.2 0.8 ! -1.20e+06 at B.2334 assign (resid 63 and name HG2#) (resid 65 and name HN) 3.0 1.2 1.0 ! -1.04e+06 at B.2353 assign (resid 63 and name HB) (resid 66 and name HN) 4.0 2.2 1.0 ! 4.19e+05 at B.2204 ! L64 assign (resid 64 and name HN) (resid 65 and name HN) 4.0 2.2 1.0 ! 5.95e+06 at A.569 assign (resid 64 and name HA) (resid 65 and name HN) 3.0 1.2 0.5 ! 2.19e+07 at A.573 assign (resid 64 and name HD*) (resid 65 and name HN) 4.0 2.2 1.5 ! 2.23e+06 at A.574 assign (resid 64 and name HD2#) (resid 65 and name HN) 4.0 2.2 1.5 ! -3.82e+05 at B.2255 assign (resid 64 and name HD2#) (resid 66 and name HN) 4.0 2.2 1.5 ! -5.92e+05 at B.2253 ! D65 assign (resid 65 and name HA) (resid 66 and name HN) 3.0 1.2 0.5 ! 1.01e+07 at A.565 assign (resid 65 and name HB#) (resid 66 and name HN) 4.0 2.2 1.0 ! 3.46e+06 at A.567 assign (resid 65 and name HN) (resid 66 and name HN) 3.0 1.2 0.5 ! 1.16e+07 at A.571 assign (resid 65 and name HN) (resid 67 and name HA) 3.0 1.2 0.5 ! 1.46e+06 at B.1788 ! A66 assign (resid 66 and name HB#) (resid 67 and name HN) 4.0 2.2 1.5 ! 3.09e+06 at A.562 assign (resid 66 and name HA) (resid 67 and name HN) 4.0 2.2 1.0 ! 7.03e+06 at A.680 assign (resid 66 and name HN) (resid 67 and name HB) 4.0 2.2 1.0 ! -3.75e+05 at B.1956 assign (resid 66 and name HA) (resid 67 and name HB) 4.0 2.2 1.0 ! -3.98e+05 at B.2199 assign (resid 66 and name HB#) (resid 67 and name HA) 4.0 2.2 1.5 ! -4.42e+05 at B.2360 assign (resid 66 and name HB#) (resid 67 and name HD1#) 4.0 2.2 2.0 ! -5.48e+05 at B.2359 assign (resid 66 and name HB#) (resid 67 and name HG2#) 3.0 1.2 1.3 ! -8.09e+05 at B.2358 assign (resid 66 and name HB#) (resid 67 and name HG#) 4.0 2.2 1.5 ! -5.78e+05 at B.2240 ! I67 ! INTRA-RESIDUE CONSTRAINTS ! M1 assign (resid 1 and name HA) (resid 1 and name HG#) 4.0 2.2 1.0 ! 4.40e+05 at B.2188 ! K2 ! Q3 ! T4 assign (resid 4 and name HG2#) (resid 4 and name HN) 2.5 0.7 0.9 ! -1.80e+06 at B.633 assign (resid 4 and name HB) (resid 4 and name HN) 3.0 1.2 0.5 ! 1.24e+06 at B.630 assign (resid 4 and name HA) (resid 4 and name HG2#) 2.5 0.7 0.7 ! 4.39e+06 at B.627 ! D5 assign (resid 5 and name HB#) (resid 5 and name HN) 3.0 1.2 0.5 ! -1.33e+06 at B.636 ! I6 assign (resid 6 and name HG1#) (resid 6 and name HN) 4.0 2.2 1.0 ! -5.68e+05 at B.1517 assign (resid 6 and name HB) (resid 6 and name HN) 3.0 1.2 0.5 ! -1.10e+06 at B.551 assign (resid 6 and name HG2#) (resid 6 and name HA) 3.0 1.2 0.8 ! 1.68e+06 at B.542 assign (resid 6 and name HG2#) (resid 6 and name HN) 4.0 2.2 1.5 ! 7.15e+05 at B.1016 assign (resid 6 and name HD1#) (resid 6 and name HN) 3.0 1.2 1.0 ! 9.49e+05 at B.1104 assign (resid 6 and name HB) (resid 6 and name HD1#) 2.5 0.7 0.7 ! -4.07e+06 at B.547 assign (resid 6 and name HA) (resid 6 and name HG#) 4.0 2.2 1.0 ! 3.79e+05 at B.539 assign (resid 6 and name HA) (resid 6 and name HD1#) 3.0 1.2 0.8 ! 1.68e+06 at B.541 assign (resid 6 and name HG1#) (resid 6 and name HA) 4.0 2.2 1.0 ! -4.40e+05 at B.2307 ! P7 assign (resid 7 and name HB#) (resid 7 and name HD#) 4.0 2.2 1.0 ! -2.69e+05 at B.570 assign (resid 7 and name HA) (resid 7 and name HG#) 3.0 1.2 0.3 ! 9.41e+05 at B.557 assign (resid 7 and name HA) (resid 7 and name HD#) 4.0 2.2 1.0 ! 3.62e+05 at B.553 ! I8 assign (resid 8 and name HG1#) (resid 8 and name HN) 3.0 1.2 0.5 ! -8.54e+05 at B.589 assign (resid 8 and name HG2#) (resid 8 and name HN) 4.0 2.2 1.5 ! 1.89e+06 at D.22 assign (resid 8 and name HB) (resid 8 and name HN) 4.0 2.2 1.0 ! -1.92e+06 at D.21 assign (resid 8 and name HD1#) (resid 8 and name HN) 4.0 2.2 1.5 ! 8.15e+05 at D.23 assign (resid 8 and name HG2#) (resid 8 and name HA) 3.0 1.2 0.8 ! 1.59e+06 at B.600 assign (resid 8 and name HD1#) (resid 8 and name HA) 3.0 1.2 0.8 ! 1.55e+06 at B.1632 assign (resid 8 and name HB) (resid 8 and name HD1#) 3.0 1.2 0.8 ! -1.63e+06 at B.584 assign (resid 8 and name HA) (resid 8 and name HG#) 4.0 2.2 1.0 ! 3.90e+05 at B.577 assign (resid 8 and name HG1#) (resid 8 and name HA) 4.0 2.2 1.0 ! -4.98e+05 at B.591 ! W9 assign (resid 9 and name HD1) (resid 9 and name HB#) 4.0 2.2 1.0 ! 5.16e+05 at B.615 assign (resid 9 and name HD1) (resid 9 and name HA) 4.0 2.2 1.0 ! 2.64e+05 at B.1254 assign (resid 9 and name HD1) (resid 9 and name HN) 4.0 2.2 1.0 ! 2.97e+05 at B.618 assign (resid 9 and name HZ3) (resid 9 and name HN) 4.0 2.2 1.0 ! 2.90e+05 at B.2322 assign (resid 9 and name HB#) (resid 9 and name HE3) 4.0 2.2 1.0 ! -3.86e+05 at B.860 assign (resid 9 and name HB#) (resid 9 and name HN) 4.0 2.2 1.0 ! -4.47e+05 at D.27 assign (resid 9 and name HE3) (resid 9 and name HN) 4.0 2.2 1.0 ! 6.40e+05 at D.26 ! E10 assign (resid 10 and name HB#) (resid 10 and name HN) 4.0 2.2 1.0 ! -2.86e+05 at B.1883 assign (resid 10 and name HA) (resid 10 and name HG#) 4.0 2.2 1.0 ! 4.71e+05 at B.2323 ! R11 assign (resid 11 and name HB#) (resid 11 and name HN) 4.0 2.2 1.0 ! -3.58e+05 at B.2059 assign (resid 11 and name HD#) (resid 11 and name HN) 4.0 2.2 1.0 ! 2.20e+06 at A.668 assign (resid 11 and name HD#) (resid 11 and name HA) 4.0 2.2 1.0 ! -3.20e+05 at B.2383 assign (resid 11 and name HD#) (resid 11 and name HB#) 4.0 2.2 1.0 ! -4.54e+05 at B.2395 assign (resid 11 and name HG#) (resid 11 and name HH11) 4.0 2.2 1.0 ! -2.86e+05 at B.2387 assign (resid 11 and name HG#) (resid 11 and name HN) 4.0 2.2 1.0 ! -5.01e+05 at B.1946 assign (resid 11 and name HA) (resid 11 and name HG#) 4.0 2.2 1.0 ! 6.36e+05 at B.2213 ! Y12 assign (resid 12 and name HD#) (resid 12 and name HN) 4.0 2.2 1.0 ! 6.04e+05 at B.724 assign (resid 12 and name HB#) (resid 12 and name HN) 4.0 2.2 1.0 ! -4.42e+05 at B.1552 assign (resid 12 and name HB#) (resid 12 and name HD#) 4.0 2.2 1.0 ! -4.87e+05 at B.834 assign (resid 12 and name HE#) (resid 12 and name HB#) 4.0 2.2 1.0 ! 7.48e+05 at B.2378 ! T13 assign (resid 13 and name HG2#) (resid 13 and name HN) 3.0 1.2 1.0 ! -9.47e+05 at B.9 assign (resid 13 and name HB) (resid 13 and name HN) 4.0 2.2 1.0 ! 3.90e+05 at B.6 assign (resid 13 and name HA) (resid 13 and name HG2#) 3.0 1.2 0.8 ! 1.33e+06 at B.4 ! L14 assign (resid 14 and name HD*) (resid 14 and name HN) 4.0 2.2 1.5 ! -3.90e+05 at B.26 assign (resid 14 and name HG) (resid 14 and name HN) 4.0 2.2 1.0 ! 5.21e+06 at A.39 assign (resid 14 and name HB#) (resid 14 and name HN) 4.0 2.2 1.0 ! -2.80e+05 at B.21 assign (resid 14 and name HB#) (resid 14 and name HD*) 3.0 1.2 1.3 ! -7.70e+05 at B.25 assign (resid 14 and name HD*) (resid 14 and name HA) 4.0 2.2 1.5 ! -4.97e+05 at B.27 assign (resid 14 and name HG) (resid 14 and name HA) 3.0 1.2 0.3 ! 1.63e+06 at B.14 ! T15 assign (resid 15 and name HB) (resid 15 and name HN) 3.0 1.2 0.5 ! 1.05e+06 at B.34 assign (resid 15 and name HG2#) (resid 15 and name HN) 2.5 0.7 0.9 ! -3.11e+06 at B.39 assign (resid 15 and name HA) (resid 15 and name HG2#) 2.5 0.7 0.7 ! 2.13e+06 at B.33 ! I16 assign (resid 16 and name HD1#) (resid 16 and name HN) 3.0 1.2 1.0 ! 8.65e+05 at B.69 assign (resid 16 and name HB) (resid 16 and name HN) 3.0 1.2 0.5 ! -9.61e+05 at B.50 assign (resid 16 and name HG2#) (resid 16 and name HN) 2.5 0.7 0.9 ! 2.10e+06 at B.1520 assign (resid 16 and name HG1#) (resid 16 and name HN) 4.0 2.2 1.0 ! -6.70e+05 at B.58 assign (resid 16 and name HD1#) (resid 16 and name HB) 3.0 1.2 0.8 ! -1.39e+06 at B.53 assign (resid 16 and name HD1#) (resid 16 and name HA) 2.5 0.7 0.7 ! 2.07e+06 at B.70 assign (resid 16 and name HA) (resid 16 and name HG2#) 3.0 1.2 0.8 ! 1.41e+06 at B.45 assign (resid 16 and name HA) (resid 16 and name HG#) 3.0 1.2 0.3 ! 1.19e+06 at B.49 assign (resid 16 and name HG1#) (resid 16 and name HA) 4.0 2.2 1.0 ! -5.34e+05 at B.60 ! E17 assign (resid 17 and name HB#) (resid 17 and name HN) 3.0 1.2 0.5 ! -9.94e+05 at B.85 assign (resid 17 and name HG#) (resid 17 and name HN) 3.0 1.2 0.5 ! -8.10e+05 at B.93 assign (resid 17 and name HG#) (resid 17 and name HA) 3.0 1.2 0.3 ! -1.56e+06 at B.95 ! E18 assign (resid 18 and name HB#) (resid 18 and name HN) 4.0 2.2 1.0 ! -2.83e+05 at B.1837 ! A19 assign (resid 19 and name HB#) (resid 19 and name HN) 2.5 0.7 0.9 ! -2.01e+06 at B.108 ! S20 assign (resid 20 and name HB#) (resid 20 and name HN) 3.0 1.2 0.5 ! 1.43e+06 at B.112 ! K21 assign (resid 21 and name HD#) (resid 21 and name HN) 4.0 2.2 1.0 ! -5.90e+05 at B.1899 assign (resid 21 and name HG#) (resid 21 and name HN) 4.0 2.2 1.0 ! -7.48e+05 at B.1867 assign (resid 21 and name HB#) (resid 21 and name HN) 3.0 1.2 0.5 ! -1.69e+06 at B.1896 assign (resid 21 and name HG#) (resid 21 and name HA) 2.5 0.7 0.2 ! -1.79e+06 at B.1870 assign (resid 21 and name HG#) (resid 21 and name HE#) 2.5 0.7 0.2 ! -3.12e+06 at B.1872 ! Y22 assign (resid 22 and name HD#) (resid 22 and name HN) 4.0 2.2 1.0 ! 4.84e+05 at B.129 assign (resid 22 and name HB#) (resid 22 and name HN) 4.0 2.2 1.0 ! -5.47e+05 at B.130 assign (resid 22 and name HB#) (resid 22 and name HD#) 4.0 2.2 1.0 ! -5.26e+05 at B.122 assign (resid 22 and name HD#) (resid 22 and name HA) 3.0 1.2 0.3 ! 1.56e+06 at B.126 assign (resid 22 and name HE#) (resid 22 and name HB#) 4.0 2.2 1.0 ! 4.03e+05 at B.134 ! F23 assign (resid 23 and name HB#) (resid 23 and name HN) 4.0 2.2 1.0 ! -2.92e+05 at B.2098 assign (resid 23 and name HB#) (resid 23 and name HD#) 4.0 2.2 1.0 ! -6.37e+05 at B.2097 assign (resid 23 and name HD#) (resid 23 and name HA) 3.0 1.2 0.3 ! 9.00e+05 at B.678 assign (resid 23 and name HD#) (resid 23 and name HN) 4.0 2.2 1.0 ! 4.56e+05 at B.682 assign (resid 23 and name HE#) (resid 23 and name HZ) 4.0 2.2 1.0 ! 4.30e+05 at B.791 assign (resid 23 and name HA) (resid 23 and name HE#) 4.0 2.2 1.0 ! 4.11e+05 at B.138 ! R24 assign (resid 24 and name HD#) (resid 24 and name HN) 4.0 2.2 1.0 ! 3.21e+06 at A.118 assign (resid 24 and name HG#) (resid 24 and name HN) 4.0 2.2 1.0 ! -4.10e+05 at B.1945 assign (resid 24 and name HB#) (resid 24 and name HN) 4.0 2.2 1.0 ! 1.83e+06 at A.519 assign (resid 24 and name HD#) (resid 24 and name HB#) 4.0 2.2 1.0 ! -4.23e+05 at B.152 assign (resid 24 and name HD#) (resid 24 and name HA) 4.0 2.2 1.0 ! 5.53e+05 at B.1683 assign (resid 24 and name HG#) (resid 24 and name HA) 4.0 2.2 1.0 ! -6.56e+05 at B.156 ! I25 assign (resid 25 and name HB) (resid 25 and name HN) 4.0 2.2 1.0 ! -6.15e+05 at B.2033 assign (resid 25 and name HG2#) (resid 25 and name HN) 3.0 1.2 1.0 ! 9.17e+05 at B.2293 assign (resid 25 and name HG1#) (resid 25 and name HN) 4.0 2.2 1.0 ! 1.54e+06 at A.517 assign (resid 25 and name HD1#) (resid 25 and name HN) 4.0 2.2 1.5 ! 4.15e+05 at B.1847 assign (resid 25 and name HG2#) (resid 25 and name HA) 3.0 1.2 0.8 ! 1.22e+06 at B.1908 assign (resid 25 and name HD1#) (resid 25 and name HA) 3.0 1.2 0.8 ! 8.40e+05 at B.2100 assign (resid 25 and name HD1#) (resid 25 and name HB) 3.0 1.2 0.8 ! -8.57e+05 at B.1516 assign (resid 25 and name HA) (resid 25 and name HG#) 4.0 2.2 1.0 ! 5.04e+05 at B.1907 ! G26 ! E27 assign (resid 27 and name HG#) (resid 27 and name HN) 3.0 1.2 0.5 ! -7.52e+05 at B.179 assign (resid 27 and name HB#) (resid 27 and name HN) 3.0 1.2 0.5 ! -1.08e+06 at B.167 assign (resid 27 and name HG#) (resid 27 and name HA) 4.0 2.2 1.0 ! -6.58e+05 at B.181 ! N28 assign (resid 28 and name HB#) (resid 28 and name HN) 3.0 1.2 0.5 ! -1.51e+06 at B.191 assign (resid 28 and name HB#) (resid 28 and name HD#) 4.0 2.2 1.0 ! -6.33e+05 at B.1215 ! K29 assign (resid 29 and name HD#) (resid 29 and name HN) 4.0 2.2 1.0 ! 9.42e+06 at A.168 assign (resid 29 and name HB#) (resid 29 and name HN) 3.0 1.2 0.5 ! -1.30e+06 at B.198 assign (resid 29 and name HG#) (resid 29 and name HN) 4.0 2.2 1.0 ! 4.24e+06 at A.169 assign (resid 29 and name HB#) (resid 29 and name HE#) 3.0 1.2 0.3 ! -8.17e+05 at B.202 ! L30 assign (resid 30 and name HB#) (resid 30 and name HN) 4.0 2.2 1.0 ! -4.57e+05 at B.210 assign (resid 30 and name HD*) (resid 30 and name HN) 4.0 2.2 1.5 ! -5.02e+05 at B.765 assign (resid 30 and name HG) (resid 30 and name HN) 4.0 2.2 1.0 ! 4.64e+06 at A.166 assign (resid 30 and name HA) (resid 30 and name HD*) 3.0 1.2 1.3 ! 1.22e+06 at B.2400 ! R31 assign (resid 31 and name HD#) (resid 31 and name HN) 4.0 2.2 1.0 ! -4.12e+05 at B.233 assign (resid 31 and name HG#) (resid 31 and name HN) 4.0 2.2 1.0 ! -3.21e+05 at B.228 assign (resid 31 and name HB#) (resid 31 and name HN) 3.0 1.2 0.5 ! -1.21e+06 at B.224 assign (resid 31 and name HD#) (resid 31 and name HB#) 3.0 1.2 0.3 ! -8.79e+05 at B.239 assign (resid 31 and name HD#) (resid 31 and name HA) 4.0 2.2 1.0 ! -4.60e+05 at B.235 assign (resid 31 and name HG#) (resid 31 and name HA) 4.0 2.2 1.0 ! -5.41e+05 at B.229 ! R32 assign (resid 32 and name HD#) (resid 32 and name HN) 4.0 2.2 1.0 ! -8.22e+05 at D.39 assign (resid 32 and name HG#) (resid 32 and name HN) 4.0 2.2 1.0 ! -6.31e+05 at B.1674 assign (resid 32 and name HB#) (resid 32 and name HN) 2.5 0.7 0.4 ! 4.59e+07 at A.176 assign (resid 32 and name HD#) (resid 32 and name HA) 3.0 1.2 0.3 ! -1.11e+06 at B.1135 assign (resid 32 and name HG#) (resid 32 and name HA) 3.0 1.2 0.3 ! -1.22e+06 at B.1791 ! L33 assign (resid 33 and name HD*) (resid 33 and name HN) 2.5 0.7 0.9 ! -2.27e+06 at B.269 assign (resid 33 and name HB#) (resid 33 and name HN) 3.0 1.2 0.5 ! 1.40e+07 at A.192 assign (resid 33 and name HB#) (resid 33 and name HD*) 2.5 0.7 1.2 ! -1.93e+06 at B.264 assign (resid 33 and name HG) (resid 33 and name HA) 4.0 2.2 1.0 ! -5.25e+05 at B.265 assign (resid 33 and name HA) (resid 33 and name HD*) 2.5 0.7 1.2 ! 3.35e+06 at B.258 ! A34 assign (resid 34 and name HB#) (resid 34 and name HN) 2.5 0.7 0.9 ! -3.44e+06 at B.278 ! E35 assign (resid 35 and name HG#) (resid 35 and name HN) 4.0 2.2 1.0 ! -6.08e+05 at B.293 assign (resid 35 and name HB#) (resid 35 and name HN) 3.0 1.2 0.5 ! -1.33e+06 at B.288 assign (resid 35 and name HG#) (resid 35 and name HA) 3.0 1.2 0.3 ! -1.16e+06 at B.295 ! E36 assign (resid 36 and name HB#) (resid 36 and name HN) 3.0 1.2 0.5 ! -9.16e+05 at B.303 assign (resid 36 and name HG#) (resid 36 and name HN) 3.0 1.2 0.5 ! -7.96e+05 at B.306 assign (resid 36 and name HG#) (resid 36 and name HA) 3.0 1.2 0.3 ! -1.08e+06 at B.307 ! N37 assign (resid 37 and name HB#) (resid 37 and name HN) 2.5 0.7 0.4 ! -1.89e+06 at B.312 assign (resid 37 and name HA) (resid 37 and name HD#) 4.0 2.2 1.0 ! 1.82e+06 at A.510 assign (resid 37 and name HB#) (resid 37 and name HD#) 3.0 1.2 0.3 ! -9.59e+05 at B.1172 ! K38 assign (resid 38 and name HG#) (resid 38 and name HN) 4.0 2.2 1.0 ! -5.15e+05 at B.323 assign (resid 38 and name HD#) (resid 38 and name HN) 3.0 1.2 0.5 ! 2.71e+07 at A.335 assign (resid 38 and name HB#) (resid 38 and name HN) 3.0 1.2 0.5 ! -1.22e+06 at B.320 assign (resid 38 and name HB#) (resid 38 and name HE#) 4.0 2.2 1.0 ! -4.88e+05 at B.1862 assign (resid 38 and name HD#) (resid 38 and name HA) 3.0 1.2 0.3 ! -1.13e+06 at B.327 assign (resid 38 and name HA) (resid 38 and name HG#) 3.0 1.2 0.3 ! 1.15e+06 at B.316 assign (resid 38 and name HG#) (resid 38 and name HE#) 2.5 0.7 0.2 ! -3.24e+06 at B.2411 ! N39 assign (resid 39 and name HB2) (resid 39 and name HN) 3.0 1.2 0.5 ! -1.41e+06 at B.331 assign (resid 39 and name HB1) (resid 39 and name HN) 3.0 1.2 0.5 ! -1.50e+06 at B.332 assign (resid 39 and name HB#) (resid 39 and name HD21) 4.0 2.2 1.0 ! 4.87e+06 at A.547 assign (resid 39 and name HB#) (resid 39 and name HD22) 4.0 2.2 1.0 ! 9.40e+06 at A.548 assign (resid 39 and name HB#) (resid 39 and name HD#) 3.0 1.2 0.3 ! -1.09e+06 at B.1974 ! A40 assign (resid 40 and name HB#) (resid 40 and name HN) 2.5 0.7 0.9 ! -3.72e+06 at B.338 ! N41 assign (resid 41 and name HB#) (resid 41 and name HN) 3.0 1.2 0.5 ! -1.05e+06 at B.348 assign (resid 41 and name HB#) (resid 41 and name HD#) 3.0 1.2 0.3 ! -7.84e+05 at B.1195 ! W42 assign (resid 42 and name HB#) (resid 42 and name HN) 4.0 2.2 1.0 ! 4.01e+06 at A.383 assign (resid 42 and name HD1) (resid 42 and name HN) 3.0 1.2 0.5 ! 1.61e+07 at A.380 assign (resid 42 and name HZ2) (resid 42 and name HZ3) 4.0 2.2 1.0 ! -2.99e+05 at B.364 assign (resid 42 and name HD1) (resid 42 and name HA) 4.0 2.2 1.0 ! 2.78e+05 at B.359 assign (resid 42 and name HD1) (resid 42 and name HB#) 4.0 2.2 1.0 ! 7.11e+05 at B.357 ! L43 assign (resid 43 and name HD*) (resid 43 and name HN) 4.0 2.2 1.5 ! -6.33e+05 at B.737 assign (resid 43 and name HB#) (resid 43 and name HN) 3.0 1.2 0.5 ! -8.59e+05 at B.375 assign (resid 43 and name HG) (resid 43 and name HN) 3.0 1.2 0.5 ! -8.57e+05 at B.745 assign (resid 43 and name HB#) (resid 43 and name HD*) 3.0 1.2 1.3 ! -9.43e+05 at B.382 assign (resid 43 and name HG) (resid 43 and name HA) 4.0 2.2 1.0 ! -7.50e+05 at B.746 assign (resid 43 and name HD*) (resid 43 and name HA) 3.0 1.2 0.8 ! -9.68e+05 at B.738 ! I44 assign (resid 44 and name HG2#) (resid 44 and name HN) 2.5 0.7 0.9 ! 3.17e+06 at B.411 assign (resid 44 and name HD1#) (resid 44 and name HA) 3.0 1.2 0.8 ! 1.17e+06 at B.414 assign (resid 44 and name HD1#) (resid 44 and name HN) 3.0 1.2 1.0 ! 1.52e+06 at B.413 assign (resid 44 and name HB) (resid 44 and name HN) 3.0 1.2 0.5 ! -9.71e+05 at B.2382 assign (resid 44 and name HA) (resid 44 and name HG2#) 2.5 0.7 0.7 ! 3.47e+06 at B.397 assign (resid 44 and name HA) (resid 44 and name HG#) 3.0 1.2 0.3 ! 1.19e+06 at B.398 assign (resid 44 and name HG1#) (resid 44 and name HA) 4.0 2.2 1.0 ! -6.56e+05 at B.407 assign (resid 44 and name HG1#) (resid 44 and name HN) 4.0 2.2 1.0 ! -5.70e+05 at B.404 ! M45 assign (resid 45 and name HB#) (resid 45 and name HN) 4.0 2.2 1.0 ! 4.71e+06 at A.416 assign (resid 45 and name HG#) (resid 45 and name HN) 4.0 2.2 1.0 ! 3.42e+06 at A.419 assign (resid 45 and name HE#) (resid 45 and name HA) 3.0 1.2 0.8 ! 1.48e+06 at B.935 assign (resid 45 and name HG#) (resid 45 and name HA) 4.0 2.2 1.0 ! -4.52e+05 at B.1591 assign (resid 45 and name HG#) (resid 45 and name HE#) 3.0 1.2 0.8 ! -7.97e+05 at B.2420 ! N46 assign (resid 46 and name HB#) (resid 46 and name HN) 3.0 1.2 0.5 ! -8.19e+05 at B.427 assign (resid 46 and name HB#) (resid 46 and name HD#) 3.0 1.2 0.3 ! -8.49e+05 at B.2082 ! G47 ! N48 assign (resid 48 and name HB#) (resid 48 and name HN) 2.5 0.7 0.4 ! -3.51e+06 at B.440 assign (resid 48 and name HA) (resid 48 and name HD#) 4.0 2.2 1.0 ! 2.35e+06 at A.546 assign (resid 48 and name HB#) (resid 48 and name HD#) 2.5 0.7 0.2 ! -1.78e+06 at B.1197 ! R49 assign (resid 49 and name HD#) (resid 49 and name HN) 3.0 1.2 0.5 ! -8.18e+05 at B.460 assign (resid 49 and name HG#) (resid 49 and name HN) 3.0 1.2 0.5 ! -8.70e+05 at B.454 assign (resid 49 and name HB#) (resid 49 and name HN) 2.5 0.7 0.4 ! -2.47e+06 at B.449 assign (resid 49 and name HD#) (resid 49 and name HA) 4.0 2.2 1.0 ! 5.46e+05 at B.448 assign (resid 49 and name HD#) (resid 49 and name HB#) 2.5 0.7 0.2 ! -5.30e+06 at B.462 assign (resid 49 and name HG#) (resid 49 and name HA) 3.0 1.2 0.3 ! -1.07e+06 at B.456 ! I50 assign (resid 50 and name HG2#) (resid 50 and name HN) 3.0 1.2 1.0 ! 1.56e+06 at B.483 assign (resid 50 and name HG1#) (resid 50 and name HN) 3.0 1.2 0.5 ! -1.00e+06 at B.1310 assign (resid 50 and name HD1#) (resid 50 and name HN) 3.0 1.2 1.0 ! 1.63e+06 at B.2117 assign (resid 50 and name HB) (resid 50 and name HN) 3.0 1.2 0.5 ! -1.33e+06 at B.472 assign (resid 50 and name HG2#) (resid 50 and name HA) 3.0 1.2 0.8 ! 1.51e+06 at B.467 assign (resid 50 and name HD1#) (resid 50 and name HA) 3.0 1.2 0.8 ! 1.26e+06 at B.2120 assign (resid 50 and name HB) (resid 50 and name HD1#) 2.5 0.7 0.7 ! -1.91e+06 at B.474 assign (resid 50 and name HA) (resid 50 and name HG#) 3.0 1.2 0.3 ! 9.39e+05 at B.468 assign (resid 50 and name HG1#) (resid 50 and name HA) 4.0 2.2 1.0 ! -7.24e+05 at B.479 ! Q51 assign (resid 51 and name HG#) (resid 51 and name HN) 4.0 2.2 1.0 ! 4.71e+06 at A.640 assign (resid 51 and name HG#) (resid 51 and name HE#) 4.0 2.2 1.0 ! -3.05e+05 at B.1586 assign (resid 51 and name HG#) (resid 51 and name HA) 4.0 2.2 1.0 ! -6.14e+05 at B.493 ! I52 assign (resid 52 and name HG1#) (resid 52 and name HN) 4.0 2.2 1.0 ! 6.61e+06 at A.634 assign (resid 52 and name HB) (resid 52 and name HN) 4.0 2.2 1.0 ! -5.76e+05 at B.473 assign (resid 52 and name HG2#) (resid 52 and name HA) 3.0 1.2 0.8 ! 1.16e+06 at B.509 assign (resid 52 and name HG2#) (resid 52 and name HN) 4.0 2.2 1.5 ! 5.67e+05 at B.507 assign (resid 52 and name HD1#) (resid 52 and name HN) 3.0 1.2 1.0 ! 7.68e+05 at B.512 assign (resid 52 and name HD1#) (resid 52 and name HA) 2.5 0.7 0.7 ! 1.73e+06 at B.513 assign (resid 52 and name HD1#) (resid 52 and name HB) 2.5 0.7 0.7 ! 2.24e+06 at B.515 ! K53 assign (resid 53 and name HB#) (resid 53 and name HN) 4.0 2.2 1.0 ! -2.81e+05 at B.2057 assign (resid 53 and name HG#) (resid 53 and name HN) 4.0 2.2 1.0 ! 2.70e+06 at A.630 assign (resid 53 and name HA) (resid 53 and name HG#) 2.5 0.7 0.2 ! 1.71e+06 at B.519 ! R54 assign (resid 54 and name HB#) (resid 54 and name HN) 4.0 2.2 1.0 ! -4.16e+05 at B.1962 assign (resid 54 and name HG#) (resid 54 and name HN) 4.0 2.2 1.0 ! 3.03e+06 at A.626 assign (resid 54 and name HD#) (resid 54 and name HB#) 4.0 2.2 1.0 ! -5.86e+05 at B.1971 assign (resid 54 and name HA) (resid 54 and name HD#) 4.0 2.2 1.0 ! 3.05e+05 at B.1972 assign (resid 54 and name HA) (resid 54 and name HG#) 4.0 2.2 1.0 ! 4.77e+05 at B.1785 ! K55 assign (resid 55 and name HG#) (resid 55 and name HN) 4.0 2.2 1.0 ! -3.45e+05 at B.2050 assign (resid 55 and name HB#) (resid 55 and name HN) 3.0 1.2 0.5 ! -1.49e+06 at B.200 ! Q56 assign (resid 56 and name HB#) (resid 56 and name HN) 3.0 1.2 0.5 ! 1.61e+07 at A.614 assign (resid 56 and name HG#) (resid 56 and name HN) 4.0 2.2 1.0 ! 5.07e+06 at A.615 assign (resid 56 and name HG#) (resid 56 and name HA) 3.0 1.2 0.3 ! -1.05e+06 at B.1710 ! F57 assign (resid 57 and name HB#) (resid 57 and name HD#) 4.0 2.2 1.0 ! -3.58e+05 at B.782 assign (resid 57 and name HB#) (resid 57 and name HN) 4.0 2.2 1.0 ! -4.73e+05 at B.778 assign (resid 57 and name HD#) (resid 57 and name HA) 4.0 2.2 1.0 ! 6.64e+05 at B.650 assign (resid 57 and name HD#) (resid 57 and name HN) 4.0 2.2 1.0 ! 3.76e+05 at B.646 assign (resid 57 and name HE#) (resid 57 and name HZ) 4.0 2.2 1.0 ! 6.63e+05 at B.653 assign (resid 57 and name HA) (resid 57 and name HE#) 4.0 2.2 1.0 ! 4.17e+05 at B.643 ! E58 assign (resid 58 and name HB#) (resid 58 and name HN) 4.0 2.2 1.0 ! -3.47e+05 at B.659 assign (resid 58 and name HG#) (resid 58 and name HN) 4.0 2.2 1.0 ! -3.98e+05 at B.665 assign (resid 58 and name HG#) (resid 58 and name HA) 4.0 2.2 1.0 ! -4.08e+05 at B.666 ! K59 assign (resid 59 and name HG#) (resid 59 and name HN) 4.0 2.2 1.0 ! 6.90e+06 at A.592 assign (resid 59 and name HB#) (resid 59 and name HN) 3.0 1.2 0.5 ! -1.52e+06 at B.1887 assign (resid 59 and name HB#) (resid 59 and name HE#) 3.0 1.2 0.3 ! -9.94e+05 at B.1891 assign (resid 59 and name HB#) (resid 59 and name HD#) 2.5 0.7 0.2 ! -2.90e+06 at B.1888 assign (resid 59 and name HD#) (resid 59 and name HA) 2.5 0.7 0.2 ! -2.95e+06 at B.1900 assign (resid 59 and name HD#) (resid 59 and name HN) 3.0 1.2 0.5 ! -9.03e+05 at B.1898 assign (resid 59 and name HA) (resid 59 and name HE#) 4.0 2.2 1.0 ! 4.06e+05 at B.1508 assign (resid 59 and name HA) (resid 59 and name HG#) 3.0 1.2 0.3 ! 1.53e+06 at B.1511 ! I60 assign (resid 60 and name HB) (resid 60 and name HN) 4.0 2.2 1.0 ! -6.00e+05 at B.1990 assign (resid 60 and name HD1#) (resid 60 and name HB) 4.0 2.2 1.5 ! -7.38e+05 at B.1986 assign (resid 60 and name HD1#) (resid 60 and name HN) 4.0 2.2 1.5 ! 7.39e+05 at B.2020 assign (resid 60 and name HD1#) (resid 60 and name HA) 4.0 2.2 1.5 ! 4.31e+05 at B.1982 assign (resid 60 and name HA) (resid 60 and name HG2#) 3.0 1.2 0.8 ! 1.05e+06 at B.1981 assign (resid 60 and name HA) (resid 60 and name HG#) 4.0 2.2 1.0 ! 3.23e+05 at B.1984 assign (resid 60 and name HG1#) (resid 60 and name HN) 4.0 2.2 1.0 ! -5.10e+05 at B.1991 assign (resid 60 and name HG2#) (resid 60 and name HN) 3.0 1.2 1.0 ! -1.22e+06 at B.2002 ! I61 assign (resid 61 and name HG2#) (resid 61 and name HN) 3.0 1.2 1.0 ! 1.63e+06 at B.875 assign (resid 61 and name HG2#) (resid 61 and name HA) 3.0 1.2 0.8 ! 1.20e+06 at B.1605 assign (resid 61 and name HD1#) (resid 61 and name HB) 4.0 2.2 1.5 ! -6.33e+05 at B.685 assign (resid 61 and name HD1#) (resid 61 and name HN) 4.0 2.2 1.5 ! 4.00e+05 at B.863 assign (resid 61 and name HD1#) (resid 61 and name HA) 4.0 2.2 1.5 ! 5.90e+05 at B.1496 assign (resid 61 and name HB) (resid 61 and name HN) 3.0 1.2 0.5 ! -7.80e+05 at B.683 assign (resid 61 and name HA) (resid 61 and name HG#) 4.0 2.2 1.0 ! 5.07e+05 at B.1495 assign (resid 61 and name HG1#) (resid 61 and name HA) 4.0 2.2 1.0 ! -3.35e+05 at B.1500 assign (resid 61 and name HG1#) (resid 61 and name HN) 4.0 2.2 1.0 ! -3.08e+05 at B.1498 ! D62 ! T63 assign (resid 63 and name HG2#) (resid 63 and name HN) 4.0 2.2 1.5 ! -7.14e+05 at B.1808 assign (resid 63 and name HB) (resid 63 and name HN) 4.0 2.2 1.0 ! 3.05e+05 at B.672 assign (resid 63 and name HA) (resid 63 and name HG2#) 3.0 1.2 0.8 ! 1.27e+06 at B.670 ! L64 assign (resid 64 and name HD*) (resid 64 and name HN) 4.0 2.2 1.5 ! 3.82e+06 at A.579 assign (resid 64 and name HB#) (resid 64 and name HN) 4.0 2.2 1.0 ! 7.13e+06 at A.581 assign (resid 64 and name HA) (resid 64 and name HD*) 3.0 1.2 1.3 ! 7.95e+05 at B.1473 assign (resid 64 and name HD2#) (resid 64 and name HA) 3.0 1.2 0.8 ! -1.47e+06 at B.2254 assign (resid 64 and name HD2#) (resid 64 and name HN) 4.0 2.2 1.5 ! -3.02e+05 at B.2075 ! D65 ! A66 assign (resid 66 and name HB#) (resid 66 and name HN) 2.5 0.7 0.9 ! -1.89e+06 at B.526 ! I67 assign (resid 67 and name HB) (resid 67 and name HN) 4.0 2.2 1.0 ! -4.81e+05 at B.868 assign (resid 67 and name HG2#) (resid 67 and name HA) 2.5 0.7 0.7 ! 4.87e+06 at B.1959 assign (resid 67 and name HD1#) (resid 67 and name HN) 4.0 2.2 1.5 ! 3.64e+05 at B.1466 assign (resid 67 and name HD1#) (resid 67 and name HA) 2.5 0.7 0.7 ! 2.83e+06 at B.1462 assign (resid 67 and name HD1#) (resid 67 and name HB) 2.5 0.7 0.7 ! 4.96e+06 at B.1628 assign (resid 67 and name HA) (resid 67 and name HG#) 3.0 1.2 0.3 ! 1.42e+06 at B.1819 assign (resid 67 and name HG1#) (resid 67 and name HA) 3.0 1.2 0.3 ! -1.59e+06 at B.925
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