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 |
|
|
8685 |
1mpe   |
5654 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! pck2xplr.nawk Table; Input File: CC.PCK ! Date: Mon Aug 23 13:12:05 EDT 1999 ! Path: /net/kirsten1/sp2/hs124/N15noe_flip/noes/may13_8 ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A N15.PCK 241 49 107 45 40 ! B c13.PCK 357 83 84 82 108 ! C NC.PCK 89 23 23 15 28 ! D CC.PCK 62 17 5 11 29 ! Total 749 172 219 153 205 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! M1 assign (segid a and resid 1 and name HG# ) (segid a and resid 1 and name HA ) 4.0 2.2 1.0 ! B.1227 at 1.16e+06 assign (segid a and resid 1 and name HG# ) (segid a and resid 1 and name HE# ) 3.0 1.2 0.8 ! D.177 at 9.95e+05 assign (segid a and resid 1 and name HB# ) (segid a and resid 1 and name HE# ) 3.0 1.2 0.8 ! D.178 at 1.19e+06 assign (segid a and resid 1 and name HB# ) (segid a and resid 2 and name HN ) 4.0 2.2 2.0 ! B.31 at 7.19e+05 assign (segid a and resid 1 and name HE# ) (segid a and resid 2 and name HN ) 3.0 1.2 1.0 ! B.281 at 3.63e+06 assign (segid a and resid 1 and name HA ) (segid a and resid 2 and name HN ) 3.0 1.2 0.5 ! B.215 at 6.07e+06 assign (segid a and resid 1 and name HB# ) (segid a and resid 3 and name HE# ) 4.0 2.2 2.0 ! B.34 at 7.05e+05 assign (segid a and ((resid 1 and name HG# ) or (resid 2 and name HB# ))) (segid a and resid 3 and name HD# ) 4.0 2.2 2.0 ! B.1510 at 6.45e+05 assign (segid a and resid 1 and name HG# ) (segid a and resid 3 and name HE# ) 4.0 2.2 2.0 ! B.1224 at 7.50e+05 assign (segid a and resid 1 and name HE# ) (segid a and resid 3 and name HE# ) 4.0 2.2 1.5 ! B.278 at 2.26e+06 assign (segid a and resid 1 and name HE# ) (segid a and resid 3 and name HD# ) 4.0 2.2 2.5 ! B.1425 at 7.31e+05 ! Q2 assign (segid a and resid 2 and name HG# ) (segid a and resid 2 and name HE2# ) 4.0 2.2 1.0 ! B.195 at -1.35e+06 assign (segid a and resid 2 and name HG# ) (segid a and resid 2 and name HN ) 4.0 2.2 1.0 ! B.200 at -1.18e+06 assign (segid a and resid 2 and name HA ) (segid a and resid 2 and name HG# ) 4.0 2.2 2.0 ! D.645 at -3.51e+05 assign (segid a and resid 2 and name HB# ) (segid a and resid 3 and name HN ) 4.0 2.2 1.0 ! A.13 at 8.34e+05 assign (segid a and resid 2 and name HA ) (segid a and resid 3 and name HN ) 3.0 1.2 0.5 ! A.536 at 4.21e+06 assign (segid a and resid 2 and name HA ) (segid a and resid 3 and name HD# ) 4.0 2.2 2.0 ! B.56 at -5.07e+05 assign (segid a and resid 2 and name HG# ) (segid a and resid 3 and name HN ) 4.0 2.2 2.0 ! B.201 at -5.49e+05 assign (segid a and resid 2 and name HG# ) (segid a and resid 4 and name HN ) 4.0 2.2 1.0 ! C.31 at -2.30e+06 ! Y3 assign (segid a and resid 3 and name HB# ) (segid a and resid 3 and name HN ) 4.0 2.2 1.0 ! A.12 at 1.54e+06 assign (segid a and resid 3 and name HD# ) (segid a and resid 3 and name HN ) 4.0 2.2 1.0 ! A.8 at 1.64e+06 assign (segid a and resid 3 and name HD# ) (segid a and resid 3 and name HB# ) 4.0 2.2 1.0 ! B.55 at -2.64e+06 assign (segid a and resid 3 and name HD# ) (segid a and resid 3 and name HA ) 4.0 2.2 1.0 ! B.57 at -1.61e+06 assign (segid a and resid 3 and name HE# ) (segid a and resid 3 and name HA ) 4.0 2.2 2.0 ! D.593 at -3.12e+05 assign (segid a and resid 3 and name HD# ) (segid a and resid 4 and name HN ) 4.0 2.2 2.0 ! A.20 at 4.84e+05 assign (segid a and resid 3 and name HA ) (segid a and resid 4 and name HN ) 3.0 1.2 0.5 ! A.23 at 4.32e+06 assign (segid a and resid 3 and name HB# ) (segid a and resid 4 and name HN ) 4.0 2.2 2.0 ! A.24 at 6.19e+05 assign (segid a and resid 3 and name HN ) (segid a and resid 4 and name HA ) 4.0 2.2 2.0 ! A.10 at 3.16e+05 assign (segid a and resid 3 and name HD# ) (segid a and resid 4 and name HA ) 4.0 2.2 2.0 ! B.59 at -8.49e+05 assign (segid a and resid 3 and name HA ) (segid a and resid 4 and name HB# ) 4.0 2.2 2.0 ! B.229 at -5.91e+05 ! K4 ! V5 assign (segid a and resid 5 and name HG* ) (segid a and resid 5 and name HN ) 4.0 2.2 1.5 ! A.37 at 8.73e+05 assign (segid a and resid 5 and name HB ) (segid a and resid 5 and name HN ) 4.0 2.2 1.0 ! A.40 at 1.80e+06 assign (segid a and resid 5 and name HA ) (segid a and resid 5 and name HG* ) 3.0 1.2 0.8 ! B.1293 at 3.51e+06 assign (segid a and resid 5 and name HA ) (segid a and resid 6 and name HN ) 2.5 0.7 0.4 ! A.42 at 6.88e+06 assign (segid a and resid 5 and name HG* ) (segid a and resid 6 and name HN ) 3.0 1.2 1.0 ! B.666 at 6.22e+06 assign (segid a and resid 5 and name HG* ) (segid a and resid 7 and name HD* ) 4.0 2.2 2.0 ! D.497 at 6.48e+05 ! I6 assign (segid a and resid 6 and name HG1# ) (segid a and resid 6 and name HN ) 4.0 2.2 2.0 ! B.1120 at 1.00e+06 assign (segid a and resid 6 and name HG1# ) (segid a and resid 6 and name HA ) 4.0 2.2 1.0 ! D.11 at 3.85e+05 assign (segid a and resid 6 and name HB ) (segid a and resid 6 and name HN ) 4.0 2.2 1.0 ! B.1639 at -2.31e+06 assign (segid a and resid 6 and name HG2# ) (segid a and resid 6 and name HN ) 4.0 2.2 1.5 ! B.400 at 1.71e+06 assign (segid a and resid 6 and name HD# ) (segid a and resid 6 and name HA ) 4.0 2.2 1.5 ! B.1346 at 2.00e+06 assign (segid a and resid 6 and name HD# ) (segid a and resid 6 and name HN ) 4.0 2.2 1.5 ! B.166 at 1.91e+06 assign (segid a and resid 6 and name HG2# ) (segid a and resid 6 and name HA ) 3.0 1.2 0.8 ! D.10 at 1.59e+06 assign (segid a and resid 6 and name HD# ) (segid a and resid 6 and name HB ) 3.0 1.2 0.8 ! D.16 at -1.31e+06 assign (segid a and resid 6 and name HN ) (segid a and resid 7 and name HN ) 4.0 2.2 2.0 ! A.41 at 3.54e+05 assign (segid a and resid 6 and name HG1# ) (segid a and resid 7 and name HN ) 4.0 2.2 2.0 ! A.54 at 4.61e+05 assign (segid a and resid 6 and name HG2# ) (segid a and resid 7 and name HN ) 3.0 1.2 1.0 ! A.55 at 2.54e+06 assign (segid a and resid 6 and name HA ) (segid a and resid 7 and name HN ) 2.5 0.7 0.4 ! A.50 at 6.92e+06 assign (segid a and resid 6 and name HD# ) (segid a and resid 7 and name HN ) 4.0 2.2 2.5 ! B.167 at 8.13e+05 assign (segid a and resid 6 and name HG2# ) (segid a and resid 8 and name HN ) 4.0 2.2 1.5 ! A.63 at 9.94e+05 assign (segid a and resid 6 and name HG2# ) (segid a and resid 8 and name HD2# ) 4.0 2.2 1.5 ! A.518 at 6.40e+05 assign (segid a and resid 6 and name HG2# ) (segid a and resid 8 and name HA ) 4.0 2.2 1.5 ! B.1 at -1.39e+06 ! L7 assign (segid a and resid 7 and name HB# ) (segid a and resid 7 and name HN ) 3.0 1.2 0.5 ! A.52 at 2.68e+06 assign (segid a and resid 7 and name HG ) (segid a and resid 7 and name HN ) 4.0 2.2 1.0 ! A.53 at 1.07e+06 assign (segid a and resid 7 and name HD* ) (segid a and resid 7 and name HN ) 4.0 2.2 2.5 ! A.57 at 5.94e+05 assign (segid a and resid 7 and name HG ) (segid a and resid 7 and name HA ) 4.0 2.2 2.0 ! B.1548 at 7.46e+05 assign (segid a and resid 7 and name HD* ) (segid a and resid 7 and name HB# ) 4.0 2.2 1.5 ! B.960 at 8.81e+06 !assign (segid a and resid 7 and name HA ) (segid a and resid 7 and name HD* ) 4.0 2.2 2.5 ! B.1299 at 3.38e+06 assign (segid a and resid 7 and name HB# ) (segid a and resid 8 and name HN ) 4.0 2.2 1.0 ! A.62 at 1.16e+06 !assign (segid a and resid 7 and name HD* ) (segid a and resid 8 and name HN ) 4.0 2.2 1.5 ! A.64 at 9.20e+05 !assign (segid a and resid 7 and name HD* ) !(segid a and resid 8 and name HA ) 4.0 2.2 1.5 ! D.729 at -1.05e+06 constraint loosened !assign (segid a and resid 7 and name HB# ) (segid a and resid 8 and name HA ) 4.0 2.2 1.0 ! D.67 at -4.25e+05 ! N8 assign (segid a and resid 8 and name HB# ) (segid a and resid 8 and name HD2# ) 3.0 1.2 0.3 ! A.515 at 2.38e+06 assign (segid a and resid 8 and name HA ) (segid a and resid 8 and name HD2# ) 4.0 2.2 2.0 ! C.279 at 1.38e+06 assign (segid a and resid 8 and name HN ) (segid a and resid 9 and name HN ) 4.0 2.2 1.0 ! A.58 at 7.99e+05 assign (segid a and resid 8 and name HB# ) (segid a and resid 9 and name HN ) 4.0 2.2 1.0 ! A.70 at 1.36e+06 assign (segid a and resid 8 and name HA ) (segid a and resid 9 and name HN ) 3.0 1.2 0.5 ! A.67 at 2.25e+06 assign (segid a and resid 8 and name HN ) (segid a and resid 10 and name HN ) 4.0 2.2 2.0 ! A.587 at 3.22e+05 ! G9 assign (segid a and resid 9 and name HA# ) (segid a and resid 10 and name HN ) 2.5 0.7 0.4 ! A.73 at 5.80e+06 assign (segid a and resid 9 and name HN ) (segid a and resid 10 and name HN ) 4.0 2.2 1.0 ! A.83 at 9.65e+05 ! K10 assign (segid a and resid 10 and name HA ) (segid a and resid 10 and name HG# ) 3.0 1.2 0.3 ! B.230 at 5.19e+06 assign (segid a and resid 10 and name HB# ) (segid a and resid 10 and name HN ) 3.0 1.2 0.5 ! C.56 at -1.08e+07 assign (segid a and resid 10 and name HA ) (segid a and resid 11 and name HN ) 2.5 0.7 0.4 ! A.84 at 6.81e+06 assign (segid a and resid 10 and name HA ) (segid a and resid 11 and name HG2# ) 4.0 2.2 1.5 ! B.235 at 1.87e+06 assign (segid a and resid 10 and name HB# ) (segid a and resid 11 and name HN ) 4.0 2.2 1.0 ! C.20 at -3.99e+06 ! T11 assign (segid a and resid 11 and name HG2# ) (segid a and resid 11 and name HN ) 3.0 1.2 1.0 ! A.87 at 2.86e+06 assign (segid a and resid 11 and name HG2# ) (segid a and resid 12 and name HD* ) 4.0 2.2 2.0 ! B.1031 at 2.56e+06 assign (segid a and resid 11 and name HA ) (segid a and resid 12 and name HN ) 2.5 0.7 0.4 ! C.63 at 3.12e+07 ! L12 assign (segid a and resid 12 and name HG ) (segid a and resid 12 and name HN ) 4.0 2.2 1.0 ! B.1078 at 1.75e+06 assign (segid a and resid 12 and name HG ) (segid a and resid 12 and name HA ) 4.0 2.2 1.0 ! B.1079 at 1.46e+06 assign (segid a and resid 12 and name HD* ) (segid a and resid 12 and name HB# ) 3.0 1.2 0.8 ! B.1009 at 9.28e+06 assign (segid a and resid 12 and name HD* ) (segid a and resid 12 and name HA ) 3.0 1.2 0.8 ! B.904 at 8.24e+06 assign (segid a and resid 12 and name HD* ) (segid a and resid 12 and name HN ) 4.0 2.2 1.5 ! B.905 at 1.15e+06 assign (segid a and resid 12 and name HA ) (segid a and resid 13 and name HN ) 3.0 1.2 0.5 ! B.180 at 3.88e+06 assign (segid a and resid 12 and name HB# ) (segid a and resid 13 and name HN ) 4.0 2.2 1.0 ! C.71 at -3.05e+06 ! K13 assign (segid a and resid 13 and name HG# ) (segid a and resid 14 and name HN ) 4.0 2.2 1.0 ! A.104 at 6.38e+05 assign (segid a and resid 13 and name HN ) (segid a and resid 14 and name HA# ) 4.0 2.2 1.0 ! C.68 at -2.17e+06 assign (segid a and resid 13 and name HA ) (segid a and resid 14 and name HN ) 2.5 0.7 0.4 ! C.8 at 1.81e+07 ! G14 assign (segid a and resid 14 and name HN ) (segid a and resid 15 and name HG# ) 4.0 2.2 2.0 ! A.581 at 3.20e+05 assign (segid a and resid 14 and name HA# ) (segid a and resid 15 and name HN ) 4.0 2.2 1.0 ! C.13 at -3.18e+06 assign (segid a and resid 14 and name HA# ) (segid a and resid 16 and name HN ) 4.0 2.2 2.0 ! A.450 at 3.54e+05 ! E15 assign (segid a and resid 15 and name HG# ) (segid a and resid 15 and name HN ) 4.0 2.2 2.0 ! A.582 at 3.99e+05 assign (segid a and resid 15 and name HB# ) (segid a and resid 15 and name HN ) 4.0 2.2 2.0 ! A.583 at 5.70e+05 assign (segid a and resid 15 and name HG# ) (segid a and resid 16 and name HN ) 4.0 2.2 1.0 ! A.451 at 7.23e+05 assign (segid a and resid 15 and name HB# ) (segid a and resid 16 and name HN ) 4.0 2.2 1.0 ! A.452 at 1.25e+06 assign (segid a and resid 15 and name HA ) (segid a and resid 16 and name HN ) 2.5 0.7 0.4 ! C.17 at 4.12e+07 ! T16 assign (segid a and resid 16 and name HB ) (segid a and resid 16 and name HN ) 2.5 0.7 0.4 ! C.19 at 1.53e+07 ! T17 assign (segid a and resid 17 and name HB ) (segid a and resid 18 and name HN ) 2.5 0.7 0.4 ! C.23 at 2.29e+07 ! T18 assign (segid a and resid 18 and name HG2# ) (segid a and resid 18 and name HN ) 2.5 0.7 0.9 ! C.22 at 1.95e+07 ! E19 assign (segid a and resid 19 and name HB# ) (segid a and resid 19 and name HN ) 3.0 1.2 0.5 ! A.526 at 2.27e+06 assign (segid a and resid 19 and name HG# ) (segid a and resid 19 and name HN ) 3.0 1.2 0.5 ! A.527 at 2.61e+06 assign (segid a and resid 19 and name HB# ) (segid a and resid 20 and name HN ) 4.0 2.2 1.0 ! A.542 at 1.28e+06 assign (segid a and resid 19 and name HG# ) (segid a and resid 20 and name HN ) 4.0 2.2 1.0 ! A.543 at 9.59e+05 assign (segid a and resid 19 and name HN ) (segid a and resid 20 and name HB# ) 4.0 2.2 2.5 ! A.530 at 4.90e+05 assign (segid a and resid 19 and name HG# ) (segid a and resid 20 and name HB# ) 4.0 2.2 1.5 ! B.1410 at 1.79e+06 assign (segid a and resid 19 and name HA ) (segid a and resid 20 and name HN ) 2.5 0.7 0.4 ! C.72 at 2.45e+07 assign (segid a and resid 19 and name HB# ) (segid a and resid 21 and name HN ) 4.0 2.2 2.0 ! A.115 at 5.15e+05 assign (segid a and resid 19 and name HA ) (segid a and resid 21 and name HN ) 4.0 2.2 1.0 ! B.1415 at 1.40e+06 ! A20 assign (segid a and resid 20 and name HB# ) (segid a and resid 20 and name HN ) 2.5 0.7 0.9 ! A.107 at 8.84e+06 assign (segid a and resid 20 and name HN ) (segid a and resid 21 and name HN ) 3.0 1.2 0.5 ! A.544 at 3.10e+06 assign (segid a and resid 20 and name HA ) (segid a and resid 21 and name HA ) 4.0 2.2 1.0 ! B.19 at -1.61e+06 assign (segid a and resid 20 and name HA ) (segid a and resid 21 and name HN ) 3.0 1.2 0.5 ! B.10 at -9.23e+06 assign (segid a and resid 20 and name HA ) (segid a and resid 21 and name HG* ) 4.0 2.2 1.5 ! B.14 at -1.68e+06 assign (segid a and resid 20 and name HB# ) (segid a and resid 21 and name HA ) 4.0 2.2 1.5 ! B.1374 at 2.07e+06 assign (segid a and resid 20 and name HB# ) (segid a and resid 21 and name HN ) 3.0 1.2 1.0 ! B.544 at 8.50e+06 assign (segid a and resid 20 and name HB# ) (segid a and resid 21 and name HG* ) 4.0 2.2 2.0 ! D.659 at 4.91e+05 assign (segid a and resid 20 and name HB# ) (segid a and resid 22 and name HB# ) 4.0 2.2 1.5 ! B.1409 at 1.94e+06 assign (segid a and resid 20 and name HB# ) (segid a and resid 22 and name HA ) 4.0 2.2 2.5 ! B.551 at 1.01e+06 !assign (segid a and resid 20 and name HA ) (segid a and resid 23 and name HB# ) 4.0 2.2 2.5 ! B.453 at 8.95e+05 ! V21 assign (segid a and resid 21 and name HG* ) (segid a and resid 21 and name HN ) 3.0 1.2 1.0 ! A.112 at 3.72e+06 assign (segid a and resid 21 and name HA ) (segid a and resid 21 and name HG* ) 2.5 0.7 0.7 ! D.252 at 4.56e+06 assign (segid a and resid 21 and name HA ) (segid a and resid 22 and name HN ) 3.0 1.2 0.5 ! A.132 at 9.58e+06 constraint loosened assign (segid a and resid 21 and name HB ) (segid a and resid 22 and name HN ) 4.0 2.2 1.0 ! A.547 at 1.42e+06 assign (segid a and resid 21 and name HG* ) (segid a and resid 22 and name HA ) 4.0 2.2 2.5 ! B.769 at 7.69e+05 assign (segid a and resid 21 and name HG* ) (segid a and resid 22 and name HB# ) 4.0 2.2 1.5 ! B.765 at 3.04e+06 assign (segid a and resid 21 and name HG* ) (segid a and resid 22 and name HN ) 3.0 1.2 1.0 ! B.1342 at 4.41e+06 assign (segid a and resid 21 and name HA ) (segid a and resid 22 and name HB# ) 4.0 2.2 1.0 ! B.759 at -1.63e+06 !assign (segid a and resid 21 and name HA ) (segid a and resid 24 and name HB# ) 4.0 2.2 2.5 ! D.105 at 2.70e+05 assign (segid a and resid 21 and name HG* ) (segid a and resid 25 and name HB ) 4.0 2.2 2.5 ! B.1068 at 8.40e+05 assign (segid a and resid 21 and name HG* ) (segid a and ((resid 25 and name HG2# ) or (resid 20 and name HB# ))) 4.0 2.2 2.0 ! B.772 at 3.15e+06 assign (segid a and resid 21 and name HG* ) (segid a and resid 26 and name HB# ) 4.0 2.2 2.5 ! B.766 at 1.12e+06 ! D22 assign (segid a and resid 22 and name HB# ) (segid a and resid 22 and name HN ) 2.5 0.7 0.4 ! A.133 at 5.79e+06 assign (segid a and resid 22 and name HN ) (segid a and resid 23 and name HN ) 4.0 2.2 2.0 ! A.549 at 4.85e+05 assign (segid a and resid 22 and name HA ) (segid a and resid 23 and name HN ) 2.5 0.7 0.4 ! A.590 at 7.22e+06 assign (segid a and resid 22 and name HA ) (segid a and ((resid 23 and name HA ) or (resid 24 and name HA ))) 4.0 2.2 2.0 ! B.1653 at 7.17e+05 assign (segid a and resid 22 and name HB# ) (segid a and resid 23 and name HN ) 4.0 2.2 1.0 ! A.550 at 1.42e+06 assign (segid a and resid 22 and name HA ) (segid a and resid 23 and name HB# ) 3.0 1.2 0.8 ! B.449 at 4.48e+06 assign (segid a and resid 22 and name HA ) (segid a and resid 24 and name HN ) 4.0 2.2 1.0 ! A.555 at 1.49e+06 assign (segid a and resid 22 and name HB# ) (segid a and resid 24 and name HN ) 4.0 2.2 2.0 ! A.553 at 5.89e+05 assign (segid a and resid 22 and name HA ) (segid a and resid 24 and name HB# ) 4.0 2.2 2.5 ! B.1487 at 9.26e+05 assign (segid a and resid 22 and name HB# ) (segid a and resid 24 and name HB# ) 4.0 2.2 1.5 ! B.1489 at 1.62e+06 assign (segid a and resid 22 and name HB# ) (segid a and resid 25 and name HN ) 4.0 2.2 1.0 ! A.147 at 9.84e+05 assign (segid a and resid 22 and name HA ) (segid a and resid 25 and name HN ) 4.0 2.2 1.0 ! A.611 at 4.43e+06 constraint loosened assign (segid a and resid 22 and name HB# ) (segid a and resid 25 and name HB ) 3.0 1.2 0.3 ! B.1065 at 3.73e+06 assign (segid a and resid 22 and name HA ) (segid a and resid 25 and name HB ) 4.0 2.2 1.0 ! B.1609 at 2.23e+06 assign (segid a and resid 22 and name HN ) (segid a and resid 25 and name HB ) 4.0 2.2 2.0 ! B.1064 at 1.04e+06 assign (segid a and resid 22 and name HA ) (segid a and resid 25 and name HG2# ) 4.0 2.2 1.5 ! B.835 at 2.47e+06 assign (segid a and resid 22 and name HB# ) (segid a and resid 25 and name HG2# ) 3.0 1.2 0.8 ! B.827 at 4.27e+06 assign (segid a and resid 22 and name HA ) (segid a and resid 26 and name HN ) 4.0 2.2 2.0 ! A.562 at 4.78e+05 ! A23 assign (segid a and resid 23 and name HB# ) (segid a and resid 23 and name HN ) 2.5 0.7 0.9 ! A.137 at 5.66e+06 assign (segid a and resid 23 and name HN ) (segid a and resid 24 and name HN ) 4.0 2.2 1.0 ! A.135 at 1.52e+06 assign (segid a and resid 23 and name HN ) (segid a and resid 24 and name HB# ) 4.0 2.2 1.5 ! B.1484 at 1.46e+06 assign (segid a and resid 23 and name HB# ) (segid a and resid 26 and name HB# ) 4.0 2.2 1.5 ! B.455 at 2.48e+06 assign (segid a and resid 23 and name HB# ) (segid a and resid 26 and name HD# ) 4.0 2.2 2.5 ! B.452 at 6.61e+05 assign (segid a and resid 23 and name HA ) (segid a and resid 26 and name HB# ) 4.0 2.2 1.0 ! B.177 at 2.55e+06 assign (segid a and resid 23 and name HA ) (segid a and resid 26 and name HN ) 4.0 2.2 1.0 ! C.105 at 3.99e+06 assign (segid a and resid 23 and name HB# ) (segid a and resid 26 and name HN ) 4.0 2.2 1.5 ! C.101 at 2.20e+06 ! A24 assign (segid a and resid 24 and name HB# ) (segid a and resid 24 and name HN ) 2.5 0.7 0.9 ! A.142 at 9.12e+06 assign (segid a and resid 24 and name HN ) (segid a and resid 25 and name HN ) 3.0 1.2 0.5 ! A.140 at 3.36e+06 assign (segid a and resid 24 and name HN ) (segid a and resid 25 and name HB ) 4.0 2.2 2.0 ! B.1329 at 8.36e+05 assign (segid a and resid 24 and name HB# ) (segid a and resid 25 and name HB ) 4.0 2.2 1.5 ! B.1486 at 1.19e+06 assign (segid a and resid 24 and name HB# ) (segid a and resid 25 and name HN ) 2.5 0.7 0.9 ! B.1483 at 1.07e+07 assign (segid a and resid 24 and name HA ) (segid a and resid 25 and name HN ) 4.0 2.2 1.0 ! C.96 at 3.82e+06 assign (segid a and resid 24 and name HN ) (segid a and resid 27 and name HN ) 4.0 2.2 1.0 ! A.139 at 1.13e+06 assign (segid a and resid 24 and name HA ) (segid a and resid 27 and name HN ) 4.0 2.2 1.0 ! C.108 at 2.65e+06 assign (segid a and resid 24 and name HB# ) (segid a and resid 27 and name HA ) 4.0 2.2 2.5 ! D.778 at 3.17e+05 assign (segid a and resid 24 and name HA ) (segid a and resid 27 and name HA ) 4.0 2.2 2.0 ! D.574 at 2.65e+05 assign (segid a and ((resid 24 and name HA ) or (resid 23 and name HA ))) (segid a and resid 27 and name HG# ) 4.0 2.2 1.0 ! B.162 at 1.60e+06 assign (segid a and resid 24 and name HB# ) (segid a and resid 28 and name HE# ) 4.0 2.2 1.5 ! B.1490 at 2.05e+06 assign (segid a and resid 24 and name HB# ) (segid a and resid 28 and name HN ) 4.0 2.2 2.5 ! B.1485 at 8.08e+05 assign (segid a and resid 24 and name HA ) (segid a and resid 28 and name HN ) 4.0 2.2 2.0 ! C.428 at 1.48e+06 ! T25 assign (segid a and resid 25 and name HB ) (segid a and resid 25 and name HN ) 3.0 1.2 0.5 ! A.145 at 3.20e+06 assign (segid a and resid 25 and name HG2# ) (segid a and resid 25 and name HA ) 2.5 0.7 0.7 ! B.833 at 2.02e+07 assign (segid a and resid 25 and name HG2# ) (segid a and resid 25 and name HN ) 3.0 1.2 1.0 ! C.98 at 5.07e+06 assign (segid a and resid 25 and name HG2# ) (segid a and ((resid 25 and name HN ) or (resid 31 and name HN ))) 3.0 1.2 1.0 ! B.824 at 5.21e+06 assign (segid a and resid 25 and name HG2# ) (segid a and resid 26 and name HN ) 4.0 2.2 1.5 ! A.155 at 8.82e+05 assign (segid a and resid 25 and name HB ) (segid a and resid 26 and name HN ) 4.0 2.2 1.0 ! A.560 at 1.42e+06 assign (segid a and resid 25 and name HB ) (segid a and resid 26 and name HA ) 4.0 2.2 1.0 ! B.1066 at 1.15e+06 assign (segid a and resid 25 and name HG2# ) (segid a and resid 26 and name HD# ) 4.0 2.2 2.5 ! B.1634 at 6.15e+05 assign (segid a and resid 25 and name HG2# ) (segid a and resid 26 and name HB# ) 4.0 2.2 1.5 ! B.828 at 1.45e+06 assign (segid a and resid 25 and name HG2# ) (segid a and resid 26 and name HA ) 4.0 2.2 1.5 ! B.559 at 1.20e+06 assign (segid a and resid 25 and name HG2# ) (segid a and ((resid 26 and name HA ) or (resid 28 and name HE# ))) 3.0 1.2 0.8 ! B.826 at 4.16e+06 assign (segid a and resid 25 and name HA ) (segid a and resid 26 and name HN ) 4.0 2.2 1.0 ! C.103 at 2.25e+06 assign (segid a and resid 25 and name HA ) (segid a and resid 28 and name HD# ) 4.0 2.2 1.0 ! B.999 at 1.99e+06 assign (segid a and resid 25 and name HA ) (segid a and resid 28 and name HN ) 4.0 2.2 1.0 ! B.1421 at 1.71e+06 assign (segid a and resid 25 and name HG2# ) (segid a and resid 28 and name HN ) 4.0 2.2 1.5 ! B.821 at 1.26e+06 assign (segid a and resid 25 and name HA ) (segid a and resid 29 and name HN ) 4.0 2.2 2.0 ! A.176 at 5.58e+05 assign (segid a and resid 25 and name HA ) (segid a and resid 29 and name HG2# ) 4.0 2.2 2.5 ! B.1551 at 8.84e+05 assign (segid a and resid 25 and name HG2# ) (segid a and resid 29 and name HG2# ) 3.0 1.2 1.3 ! B.876 at 8.05e+06 assign (segid a and resid 25 and name HG2# ) (segid a and resid 29 and name HG1# ) 3.0 1.2 1.3 ! B.831 at 3.99e+06 assign (segid a and resid 25 and name HG2# ) (segid a and resid 29 and name HA ) 4.0 2.2 2.5 ! B.832 at 8.45e+05 assign (segid a and resid 25 and name HG2# ) (segid a and resid 29 and name HN ) 4.0 2.2 1.5 ! C.121 at 2.00e+06 assign (segid a and resid 25 and name HG2# ) (segid a and resid 29 and name HG2# ) 3.0 1.2 1.3 ! D.403 at 2.22e+06 ! F26 assign (segid a and resid 26 and name HB# ) (segid a and resid 26 and name HN ) 3.0 1.2 0.5 ! A.153 at 2.32e+06 assign (segid a and resid 26 and name HD# ) (segid a and resid 26 and name HN ) 4.0 2.2 1.0 ! A.150 at 1.03e+06 assign (segid a and resid 26 and name HD# ) (segid a and resid 26 and name HB# ) 4.0 2.2 2.0 ! B.1093 at -1.11e+06 assign (segid a and resid 26 and name HD# ) (segid a and resid 26 and name HA ) 4.0 2.2 1.0 ! B.1092 at -1.35e+06 assign (segid a and resid 26 and name HD# ) (segid a and resid 26 and name HZ ) 4.0 2.2 2.0 ! B.1089 at -9.94e+05 assign (segid a and resid 26 and name HN ) (segid a and resid 27 and name HN ) 4.0 2.2 1.0 ! A.149 at 1.11e+06 assign (segid a and resid 26 and name HB# ) (segid a and resid 27 and name HN ) 4.0 2.2 1.0 ! A.163 at 7.37e+05 assign (segid a and resid 26 and name HD# ) (segid a and resid 27 and name HN ) 4.0 2.2 1.0 ! A.166 at 9.39e+05 assign (segid a and resid 26 and name HD# ) (segid a and resid 27 and name HA ) 4.0 2.2 2.0 ! B.1631 at 5.71e+05 assign (segid a and resid 26 and name HA ) (segid a and resid 29 and name HN ) 4.0 2.2 1.0 ! A.178 at 9.54e+05 assign (segid a and resid 26 and name HA ) (segid a and resid 29 and name HB ) 4.0 2.2 1.0 ! B.1242 at 1.85e+06 assign (segid a and resid 26 and name HD# ) (segid a and resid 29 and name HG2# ) 4.0 2.2 2.5 ! B.1290 at -6.38e+05 assign (segid a and resid 26 and name HA ) (segid a and resid 29 and name HG2# ) 3.0 1.2 0.8 ! B.872 at 4.38e+06 assign (segid a and resid 26 and name HA ) (segid a and resid 29 and name HG1# ) 4.0 2.2 2.5 ! B.562 at 1.01e+06 assign (segid a and resid 26 and name HD# ) (segid a and resid 29 and name HG1# ) 4.0 2.2 2.5 ! B.1638 at 6.14e+05 assign (segid a and resid 26 and name HD# ) (segid a and resid 29 and name HN ) 4.0 2.2 2.0 ! C.124 at -1.42e+06 assign (segid a and resid 26 and name HD# ) (segid a and resid 30 and name HG1# ) 4.0 2.2 2.5 ! B.1094 at -1.11e+06 assign (segid a and resid 26 and name HD# ) (segid a and resid 30 and name HG2# ) 4.0 2.2 1.5 ! B.884 at 2.09e+06 assign (segid a and resid 26 and name HE# ) (segid a and resid 30 and name HG2# ) 3.0 1.2 0.8 ! B.883 at 7.80e+06 assign (segid a and resid 26 and name HZ ) (segid a and resid 30 and name HG1# ) 4.0 2.2 1.5 ! B.934 at -1.42e+06 assign (segid a and resid 26 and name HZ ) (segid a and resid 30 and name HG2# ) 4.0 2.2 1.5 ! B.935 at -1.63e+06 assign (segid a and resid 26 and name HB# ) (segid a and resid 30 and name HG1# ) 4.0 2.2 2.5 ! B.388 at -9.42e+05 assign (segid a and resid 26 and name HE# ) (segid a and resid 43 and name HZ2 ) 4.0 2.2 2.0 ! B.101 at 8.25e+05 assign (segid a and resid 26 and name HE# ) (segid a and resid 43 and name HH2 ) 4.0 2.2 2.0 ! B.570 at -5.96e+05 ! E27 assign (segid a and resid 27 and name HB# ) (segid a and resid 27 and name HN ) 4.0 2.2 1.0 ! B.1179 at 1.52e+06 assign (segid a and resid 27 and name HA ) (segid a and resid 27 and name HG# ) 4.0 2.2 1.0 ! B.95 at 2.49e+06 assign (segid a and resid 27 and name HG# ) (segid a and resid 27 and name HN ) 4.0 2.2 2.0 ! B.252 at -1.11e+06 assign (segid a and resid 27 and name HN ) (segid a and resid 28 and name HN ) 3.0 1.2 0.5 ! A.595 at 2.29e+06 assign (segid a and resid 27 and name HA ) (segid a and resid 28 and name HN ) 4.0 2.2 2.0 ! A.172 at 6.31e+05 assign (segid a and resid 27 and name HB# ) (segid a and resid 28 and name HN ) 4.0 2.2 1.0 ! B.1181 at 1.21e+06 assign (segid a and resid 27 and name HA ) (segid a and resid 30 and name HG1# ) 4.0 2.2 1.5 ! B.773 at 1.76e+06 assign (segid a and resid 27 and name HA ) (segid a and resid 30 and name HG2# ) 4.0 2.2 2.5 ! B.86 at 9.29e+05 assign (segid a and resid 27 and name HA ) (segid a and resid 43 and name HZ2 ) 4.0 2.2 1.0 ! B.96 at 1.75e+06 assign (segid a and resid 27 and name HB# ) (segid a and resid 43 and name HD1 ) 4.0 2.2 2.0 ! B.1180 at 1.07e+06 assign (segid a and resid 27 and name HB# ) (segid a and resid 43 and name HE1 ) 4.0 2.2 1.0 ! C.321 at 2.51e+06 assign (segid a and resid 27 and name HG# ) (segid a and resid 43 and name HE1 ) 4.0 2.2 2.0 ! B.1649 at -5.85e+05 assign (segid a and resid 27 and name HA ) (segid a and resid 43 and name HE1 ) 3.0 1.2 0.3 ! B.93 at 4.77e+06 assign (segid a and resid 27 and name HA ) (segid a and resid 43 and name HD1 ) 4.0 2.2 1.0 ! B.88 at 1.42e+06 ! K28 assign (segid a and resid 28 and name HG# ) (segid a and resid 28 and name HN ) 4.0 2.2 1.0 ! A.173 at 7.09e+05 assign (segid a and resid 28 and name HB# ) (segid a and resid 28 and name HE# ) 4.0 2.2 1.0 ! B.1285 at 1.54e+06 assign (segid a and resid 28 and name HB# ) (segid a and resid 28 and name HN ) 3.0 1.2 0.5 ! B.32 at 8.54e+06 assign (segid a and resid 28 and name HD# ) (segid a and resid 28 and name HN ) 4.0 2.2 1.0 ! B.1614 at 1.82e+06 assign (segid a and resid 28 and name HA ) (segid a and resid 28 and name HG# ) 4.0 2.2 1.0 ! B.413 at 2.82e+06 assign (segid a and resid 28 and name HG# ) (segid a and resid 28 and name HE# ) 4.0 2.2 1.0 ! D.210 at -6.96e+05 assign (segid a and resid 28 and name HA ) (segid a and resid 29 and name HN ) 4.0 2.2 1.0 ! A.175 at 9.70e+05 assign (segid a and resid 28 and name HN ) (segid a and resid 29 and name HN ) 3.0 1.2 0.5 ! A.570 at 2.74e+06 assign (segid a and resid 28 and name HB# ) (segid a and resid 29 and name HA ) 4.0 2.2 2.0 ! B.1286 at 7.56e+05 assign (segid a and resid 28 and name HB# ) (segid a and resid 29 and name HN ) 4.0 2.2 1.0 ! C.122 at -4.18e+06 assign (segid a and resid 28 and name HA ) (segid a and resid 31 and name HN ) 4.0 2.2 1.0 ! A.198 at 9.36e+05 assign (segid a and resid 28 and name HA ) (segid a and resid 31 and name HE# ) 4.0 2.2 2.0 ! B.748 at -1.13e+06 assign (segid a and resid 28 and name HA ) (segid a and resid 31 and name HB# ) 3.0 1.2 0.3 ! B.410 at 4.75e+06 assign (segid a and resid 28 and name HA ) (segid a and resid 32 and name HN ) 4.0 2.2 1.0 ! A.208 at 7.64e+05 assign (segid a and resid 28 and name HG# ) (segid a and resid 32 and name HA ) 4.0 2.2 2.0 ! B.415 at 5.36e+06 constraint loosened 2ce assign (segid a and resid 28 and name HG# ) (segid a and resid 32 and name HN ) 4.0 2.2 1.0 ! C.136 at 1.97e+06 ! V29 assign (segid a and resid 29 and name HG1# ) (segid a and resid 29 and name HN ) 4.0 2.2 1.5 ! A.182 at 1.67e+06 assign (segid a and resid 29 and name HG2# ) (segid a and resid 29 and name HN ) 3.0 1.2 1.0 ! A.181 at 4.60e+06 assign (segid a and resid 29 and name HB ) (segid a and resid 29 and name HN ) 3.0 1.2 0.5 ! B.1246 at 4.73e+06 assign (segid a and resid 29 and name HA ) (segid a and resid 29 and name HG2# ) 3.0 1.2 0.8 ! B.937 at 7.49e+06 assign (segid a and resid 29 and name HA ) (segid a and resid 29 and name HG1# ) 3.0 1.2 0.8 ! B.936 at 5.42e+06 assign (segid a and resid 29 and name HN ) (segid a and resid 30 and name HG2# ) 4.0 2.2 1.5 ! A.183 at 8.15e+05 assign (segid a and resid 29 and name HN ) (segid a and resid 30 and name HN ) 4.0 2.2 1.0 ! A.184 at 1.75e+06 assign (segid a and resid 29 and name HA ) (segid a and resid 30 and name HN ) 4.0 2.2 2.0 ! A.187 at 5.36e+05 assign (segid a and resid 29 and name HG1# ) (segid a and resid 30 and name HN ) 4.0 2.2 1.5 ! A.193 at 1.09e+06 assign (segid a and resid 29 and name HB ) (segid a and resid 30 and name HN ) 4.0 2.2 1.0 ! B.1247 at 2.01e+06 assign (segid a and resid 29 and name HB ) (segid a and resid 30 and name HG2# ) 4.0 2.2 1.5 ! B.1245 at 1.28e+06 assign (segid a and resid 29 and name HG1# ) (segid a and resid 30 and name HA ) 4.0 2.2 1.5 ! B.959 at 2.16e+06 assign (segid a and resid 29 and name HA ) (segid a and resid 30 and name HG2# ) 4.0 2.2 2.5 ! B.1640 at 5.09e+05 assign (segid a and resid 29 and name HG2# ) (segid a and resid 30 and name HG2# ) 4.0 2.2 2.0 ! B.878 at 3.08e+06 assign (segid a and resid 29 and name HG2# ) (segid a and resid 30 and name HA ) 4.0 2.2 2.5 ! B.871 at 1.07e+06 assign (segid a and resid 29 and name HG2# ) (segid a and resid 30 and name HN ) 4.0 2.2 1.5 ! B.864 at 2.23e+06 assign (segid a and resid 29 and name HG1# ) (segid a and resid 30 and name HG2# ) 4.0 2.2 2.0 ! D.242 at 8.78e+05 assign (segid a and resid 29 and name HA ) (segid a and resid 32 and name HN ) 4.0 2.2 1.0 ! A.211 at 9.94e+05 assign (segid a and resid 29 and name HA ) (segid a and resid 32 and name HB# ) 4.0 2.2 1.0 ! B.1108 at 2.15e+06 assign (segid a and resid 29 and name HA ) (segid a and resid 32 and name HG# ) 4.0 2.2 1.0 ! B.940 at 1.21e+06 assign (segid a and resid 29 and name HG2# ) (segid a and resid 32 and name HG# ) 4.0 2.2 2.5 ! B.874 at 6.38e+05 assign (segid a and resid 29 and name HG2# ) (segid a and resid 32 and name HB# ) 4.0 2.2 2.5 ! D.791 at 3.01e+05 assign (segid a and resid 29 and name HA ) (segid a and resid 33 and name HN ) 4.0 2.2 1.0 ! A.223 at 7.52e+05 assign (segid a and resid 29 and name HG1# ) (segid a and resid 33 and name HN ) 4.0 2.2 2.5 ! A.224 at 3.96e+05 assign (segid a and resid 29 and name HG1# ) (segid a and resid 33 and name HB# ) 3.0 1.2 0.8 ! B.508 at 4.23e+06 assign (segid a and resid 29 and name HG1# ) (segid a and ((resid 33 and name HD# ) or (resid 34 and name HD# ))) 3.0 1.2 0.8 ! B.511 at 3.70e+06 assign (segid a and resid 29 and name HG1# ) (segid a and resid 33 and name HA ) 4.0 2.2 2.5 ! B.515 at 7.34e+05 ! V30 assign (segid a and resid 30 and name HB ) (segid a and resid 30 and name HN ) 3.0 1.2 0.5 ! A.189 at 2.60e+06 assign (segid a and resid 30 and name HG2# ) (segid a and resid 30 and name HN ) 3.0 1.2 1.0 ! A.194 at 3.15e+06 assign (segid a and resid 30 and name HG1# ) (segid a and resid 30 and name HN ) 4.0 2.2 1.5 ! A.192 at 1.36e+06 assign (segid a and resid 30 and name HA ) (segid a and resid 30 and name HG1# ) 3.0 1.2 0.8 ! B.957 at 5.12e+06 assign (segid a and resid 30 and name HA ) (segid a and resid 30 and name HG2# ) 3.0 1.2 0.8 ! B.958 at 6.41e+06 assign (segid a and resid 30 and name HG2# ) (segid a and resid 31 and name HN ) 4.0 2.2 2.5 ! A.205 at 4.35e+05 assign (segid a and resid 30 and name HN ) (segid a and resid 31 and name HN ) 4.0 2.2 1.0 ! A.196 at 9.33e+05 assign (segid a and resid 30 and name HG1# ) (segid a and resid 31 and name HN ) 4.0 2.2 1.5 ! A.204 at 6.99e+05 assign (segid a and resid 30 and name HG1# ) (segid a and resid 31 and name HA ) 4.0 2.2 2.5 ! B.775 at 9.25e+05 assign (segid a and resid 30 and name HA ) (segid a and resid 32 and name HN ) 4.0 2.2 2.0 ! A.212 at 3.70e+05 assign (segid a and resid 30 and name HN ) (segid a and resid 32 and name HN ) 4.0 2.2 2.0 ! A.207 at 4.37e+05 !assign (segid a and resid 30 and name HA ) (segid a and resid 32 and name HE2# ) 4.0 2.2 2.0 ! C.540 at 1.23e+06 assign (segid a and resid 30 and name HA ) (segid a and resid 33 and name HN ) 3.0 1.2 0.5 ! A.572 at 1.81e+06 assign (segid a and resid 30 and name HG1# ) (segid a and resid 33 and name HE# ) 4.0 2.2 2.5 ! B.1071 at -3.66e+06 constraint loosened 2ce assign (segid a and resid 30 and name HA ) (segid a and resid 33 and name HB# ) 3.0 1.2 0.3 ! B.955 at 3.74e+06 assign (segid a and resid 30 and name HA ) (segid a and resid 34 and name HN ) 4.0 2.2 2.0 ! A.616 at 5.06e+05 assign (segid a and resid 30 and name HG1# ) (segid a and resid 34 and name HN ) 4.0 2.2 2.5 ! A.625 at 4.71e+05 assign (segid a and resid 30 and name HB ) (segid a and resid 43 and name HZ2 ) 3.0 1.2 0.3 ! B.1262 at 3.92e+06 assign (segid a and resid 30 and name HG2# ) (segid a and resid 43 and name HZ2 ) 3.0 1.2 0.8 ! B.97 at 3.16e+06 assign (segid a and resid 30 and name HG1# ) (segid a and resid 43 and name HZ2 ) 3.0 1.2 0.8 ! B.98 at 3.87e+06 assign (segid a and resid 30 and name HG2# ) (segid a and resid 43 and name HH2 ) 4.0 2.2 2.5 ! B.573 at -5.18e+05 assign (segid a and resid 30 and name HG1# ) (segid a and resid 43 and name HH2 ) 4.0 2.2 2.5 ! B.572 at -9.08e+05 assign (segid a and resid 30 and name HG2# ) (segid a and resid 43 and name HE1 ) 4.0 2.2 1.5 ! C.355 at 1.68e+06 assign (segid a and resid 30 and name HG1# ) (segid a and resid 43 and name HE1 ) 4.0 2.2 2.5 ! A.439 at 6.24e+05 assign (segid a and resid 30 and name HB ) (segid a and resid 43 and name HE1 ) 4.0 2.2 1.0 ! C.319 at 1.79e+06 assign (segid a and resid 30 and name HN ) (segid a and resid 43 and name HZ2 ) 4.0 2.2 2.0 ! C.131 at 1.42e+06 ! K31 assign (segid a and resid 31 and name HG# ) (segid a and resid 31 and name HA ) 3.0 1.2 0.3 ! B.1005 at 3.46e+06 assign (segid a and resid 31 and name HA ) (segid a and resid 31 and name HD# ) 4.0 2.2 1.0 ! B.482 at 5.71e+06 constraint loosened assign (segid a and resid 31 and name HB# ) (segid a and resid 31 and name HE# ) 4.0 2.2 2.0 ! B.227 at -7.84e+05 assign (segid a and resid 31 and name HE# ) (segid a and resid 31 and name HA ) 4.0 2.2 2.0 ! D.203 at -3.04e+05 assign (segid a and resid 31 and name HA ) (segid a and resid 32 and name HN ) 4.0 2.2 1.0 ! A.210 at 9.62e+05 assign (segid a and resid 31 and name HB# ) (segid a and resid 32 and name HN ) 4.0 2.2 1.0 ! B.225 at -1.50e+06 assign (segid a and resid 31 and name HA ) (segid a and resid 34 and name HN ) 4.0 2.2 2.0 ! A.228 at 5.42e+05 assign (segid a and resid 31 and name HA ) (segid a and resid 34 and name HB# ) 4.0 2.2 1.0 ! B.485 at 1.39e+06 assign (segid a and resid 31 and name HA ) (segid a and resid 35 and name HN ) 4.0 2.2 2.0 ! A.237 at 4.50e+05 assign (segid a and resid 31 and name HE# ) (segid a and resid 35 and name HN ) 4.0 2.2 2.0 ! B.756 at -9.46e+05 assign (segid a and resid 31 and name HG# ) (segid a and resid 35 and name HD2# ) 4.0 2.2 1.0 ! C.308 at 1.67e+06 assign (segid a and resid 31 and name HE# ) (segid a and resid 35 and name HD2# ) 4.0 2.2 1.0 ! C.302 at -2.18e+06 assign (segid a and resid 31 and name HE# ) (segid a and resid 41 and name HN ) 4.0 2.2 2.0 ! A.290 at 3.87e+05 assign (segid a and resid 31 and name HE# ) (segid a and resid 42 and name HA ) 4.0 2.2 1.0 ! B.749 at -2.60e+06 assign (segid a and resid 31 and name HN ) (segid a and resid 43 and name HE1 ) 4.0 2.2 1.0 ! A.426 at 9.13e+05 assign (segid a and resid 31 and name HN ) (segid a and resid 43 and name HZ2 ) 4.0 2.2 2.0 ! A.197 at 5.84e+05 assign (segid a and resid 31 and name HE# ) (segid a and resid 43 and name HD1 ) 4.0 2.2 2.0 ! B.1333 at -6.23e+05 assign (segid a and resid 31 and name HB# ) (segid a and resid 43 and name HE1 ) 4.0 2.2 1.0 ! C.322 at -1.71e+06 assign (segid a and resid 31 and name HE# ) (segid a and resid 43 and name HN ) 4.0 2.2 2.5 ! C.210 at -1.55e+06 ! Q32 assign (segid a and resid 32 and name HA ) (segid a and ((resid 29 and name HA ) or (resid 34 and name HA ))) 4.0 2.2 2.0 ! B.1592 at 1.03e+06 assign (segid a and resid 32 and name HA ) (segid a and ((resid 29 and name HB ) or (resid 31 and name HG# ) or (resid 28 and name HG# ))) 4.0 2.2 2.0 ! B.371 at 1.09e+06 assign (segid a and resid 32 and name HG# ) (segid a and resid 32 and name HN ) 4.0 2.2 1.0 ! A.213 at 1.54e+06 assign (segid a and resid 32 and name HB# ) (segid a and resid 32 and name HE2# ) 4.0 2.2 1.0 ! C.290 at 2.19e+06 assign (segid a and resid 32 and name HG# ) (segid a and resid 32 and name HE2# ) 2.5 0.7 0.2 ! C.288 at -1.84e+07 assign (segid a and resid 32 and name HA ) (segid a and resid 32 and name HE2# ) 4.0 2.2 1.0 ! C.295 at 2.58e+06 assign (segid a and resid 32 and name HB# ) (segid a and resid 32 and name HN ) 3.0 1.2 0.5 ! B.1102 at 5.32e+06 assign (segid a and resid 32 and name HA ) (segid a and resid 32 and name HG# ) 3.0 1.2 0.3 ! B.369 at 6.90e+06 assign (segid a and resid 32 and name HG# ) (segid a and resid 33 and name HN ) 4.0 2.2 1.0 ! A.532 at 6.40e+05 assign (segid a and resid 32 and name HA ) (segid a and resid 33 and name HN ) 4.0 2.2 1.0 ! A.222 at 7.54e+05 assign (segid a and resid 32 and name HN ) (segid a and resid 33 and name HN ) 3.0 1.2 0.5 ! A.217 at 1.91e+06 assign (segid a and resid 32 and name HG# ) (segid a and resid 33 and name HA ) 4.0 2.2 2.0 ! B.127 at -7.73e+05 assign (segid a and resid 32 and name HB# ) (segid a and resid 33 and name HN ) 3.0 1.2 0.5 ! C.141 at 4.67e+06 assign (segid a and resid 32 and name HA ) (segid a and resid 35 and name HN ) 4.0 2.2 1.0 ! A.235 at 1.62e+06 assign (segid a and resid 32 and name HN ) (segid a and resid 35 and name HB# ) 4.0 2.2 2.0 ! A.596 at 3.66e+05 assign (segid a and resid 32 and name HE2# ) (segid a and resid 35 and name HB# ) 4.0 2.2 2.0 ! A.469 at 6.33e+05 assign (segid a and resid 32 and name HB# ) (segid a and resid 35 and name HB# ) 4.0 2.2 2.0 ! B.1109 at 8.71e+05 assign (segid a and resid 32 and name HA ) (segid a and resid 35 and name HB# ) 2.5 0.7 0.2 ! B.82 at -1.08e+07 assign (segid a and resid 32 and name HA ) (segid a and resid 35 and name HA ) 4.0 2.2 2.0 ! B.367 at 9.04e+05 assign (segid a and resid 32 and name HG# ) (segid a and resid 35 and name HB# ) 4.0 2.2 1.0 ! B.132 at -2.01e+06 assign (segid a and resid 32 and name HA ) (segid a and resid 36 and name HN ) 4.0 2.2 1.0 ! A.245 at 9.42e+05 assign (segid a and resid 32 and name HG# ) (segid a and resid 36 and name HN ) 4.0 2.2 2.0 ! A.249 at 6.32e+05 ! F33 assign (segid a and resid 33 and name HD# ) (segid a and resid 33 and name HN ) 4.0 2.2 1.0 ! A.219 at 1.46e+06 assign (segid a and resid 33 and name HB# ) (segid a and resid 33 and name HN ) 2.5 0.7 0.4 ! A.220 at 5.82e+06 assign (segid a and resid 33 and name HD# ) (segid a and resid 33 and name HB# ) 3.0 1.2 0.3 ! B.1121 at -3.35e+06 assign (segid a and resid 33 and name HD# ) (segid a and resid 33 and name HA ) 4.0 2.2 1.0 ! B.1122 at -1.33e+06 assign (segid a and resid 33 and name HN ) (segid a and resid 34 and name HN ) 3.0 1.2 0.5 ! A.218 at 2.37e+06 assign (segid a and resid 33 and name HA ) (segid a and resid 34 and name HN ) 4.0 2.2 1.0 ! A.227 at 7.02e+05 assign (segid a and resid 33 and name HB# ) (segid a and resid 34 and name HN ) 4.0 2.2 1.0 ! B.359 at -1.55e+06 assign (segid a and resid 33 and name HN ) (segid a and resid 35 and name HN ) 4.0 2.2 2.0 ! A.578 at 3.33e+05 assign (segid a and resid 33 and name HA ) (segid a and resid 36 and name HB# ) 4.0 2.2 1.0 ! B.496 at 1.97e+06 assign (segid a and resid 33 and name HA ) (segid a and resid 36 and name HN ) 4.0 2.2 2.0 ! B.502 at 8.80e+05 assign (segid a and resid 33 and name HA ) (segid a and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.483 at 3.32e+05 ! F34 assign (segid a and resid 34 and name HD# ) (segid a and resid 34 and name HA ) 4.0 2.2 1.0 ! B.1125 at -1.99e+06 assign (segid a and resid 34 and name HD# ) (segid a and resid 34 and name HB# ) 4.0 2.2 1.0 ! B.1097 at -1.66e+06 assign (segid a and resid 34 and name HZ ) (segid a and resid 34 and name HB# ) 4.0 2.2 2.0 ! B.981 at -5.19e+05 !assign (segid a and resid 34 and name HZ ) (segid a and resid 34 and name HD# ) 3.0 1.2 0.3 ! B.980 at -7.58e+06 covalent assign (segid a and resid 34 and name HB# ) (segid a and resid 34 and name HN ) 4.0 2.2 1.0 ! C.146 at -2.64e+06 assign (segid a and resid 34 and name HD# ) (segid a and resid 34 and name HN ) 4.0 2.2 1.0 ! C.445 at -3.34e+06 assign (segid a and resid 34 and name HA ) (segid a and resid 35 and name HN ) 4.0 2.2 1.0 ! A.236 at 8.55e+05 assign (segid a and resid 34 and name HB# ) (segid a and resid 35 and name HN ) 4.0 2.2 1.0 ! A.238 at 1.66e+06 assign (segid a and resid 34 and name HN ) (segid a and resid 35 and name HB# ) 4.0 2.2 2.0 ! A.588 at 4.20e+05 assign (segid a and resid 34 and name HN ) (segid a and resid 35 and name HN ) 3.0 1.2 0.5 ! A.225 at 2.10e+06 assign (segid a and resid 34 and name HD# ) (segid a and resid 37 and name HN ) 4.0 2.2 2.0 ! A.121 at 3.11e+05 assign (segid a and resid 34 and name HA ) (segid a and resid 37 and name HN ) 4.0 2.2 1.0 ! A.125 at 1.04e+06 assign (segid a and resid 34 and name HA ) (segid a and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.484 at 3.52e+05 assign (segid a and resid 34 and name HZ ) (segid a and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.476 at 4.15e+05 assign (segid a and resid 34 and name HA ) (segid a and resid 37 and name HB# ) 4.0 2.2 1.0 ! B.521 at -1.36e+06 assign (segid a and resid 34 and name HA ) (segid a and resid 38 and name HN ) 4.0 2.2 2.0 ! A.261 at 4.63e+05 assign (segid a and resid 34 and name HA ) (segid a and resid 39 and name HN ) 4.0 2.2 2.0 ! A.273 at 5.84e+05 assign (segid a and resid 34 and name HA ) (segid a and resid 39 and name HB ) 4.0 2.2 1.0 ! B.855 at 2.03e+06 assign (segid a and resid 34 and name HA ) (segid a and resid 39 and name HG2# ) 4.0 2.2 1.5 ! B.851 at 1.74e+06 assign (segid a and resid 34 and name HD# ) (segid a and resid 39 and name HG1# ) 4.0 2.2 1.5 ! B.836 at 7.19e+06 constraint loosened assign (segid a and resid 34 and name HA ) (segid a and resid 39 and name HG1# ) 4.0 2.2 2.5 ! B.844 at 9.10e+05 assign (segid a and resid 34 and name HB# ) (segid a and resid 39 and name HG2# ) 4.0 2.2 1.5 ! B.691 at 2.57e+06 assign (segid a and resid 34 and name HB# ) (segid a and resid 39 and name HG1# ) 4.0 2.2 2.5 ! D.425 at -2.87e+05 assign (segid a and resid 34 and name HB# ) (segid a and resid 39 and name HB ) 4.0 2.2 1.0 ! B.144 at -1.80e+06 assign (segid a and ((resid 34 and name HD# ) or (resid 33 and name HD# ))) (segid a and resid 39 and name HB ) 4.0 2.2 1.0 ! B.148 at -3.04e+06 ! N35 assign (segid a and resid 35 and name HD2# ) (segid a and resid 35 and name HN ) 4.0 2.2 1.0 ! A.233 at 6.42e+05 assign (segid a and resid 35 and name HB# ) (segid a and resid 35 and name HN ) 2.5 0.7 0.4 ! A.239 at 5.80e+06 assign (segid a and resid 35 and name HB# ) (segid a and resid 35 and name HD2# ) 3.0 1.2 0.3 ! C.298 at -4.64e+06 assign (segid a and resid 35 and name HA ) (segid a and resid 35 and name HD2# ) 2.5 0.7 0.2 ! C.297 at 1.33e+07 assign (segid a and resid 35 and name HB# ) (segid a and resid 36 and name HN ) 3.0 1.2 0.5 ! A.246 at 3.82e+06 assign (segid a and resid 35 and name HA ) (segid a and resid 39 and name HN ) 4.0 2.2 1.0 ! A.269 at 2.49e+06 lowered assign (segid a and resid 35 and name HB# ) (segid a and resid 39 and name HN ) 4.0 2.2 2.0 ! C.180 at -1.61e+06 assign (segid a and resid 35 and name HD2# ) (segid a and resid 40 and name HA ) 3.0 1.2 0.3 ! A.492 at 2.17e+06 assign (segid a and resid 35 and name HA ) (segid a and resid 40 and name HA ) 4.0 2.2 1.0 ! B.1571 at 1.21e+06 assign (segid a and ((resid 35 and name HA ) or (resid 42 and name HA ))) (segid a and resid 40 and name HA ) 4.0 2.2 2.0 ! B.1275 at -1.08e+06 assign (segid a and resid 35 and name HD2# ) (segid a and resid 40 and name HB# ) 4.0 2.2 1.0 ! C.296 at -2.03e+06 ! D36 assign (segid a and resid 36 and name HB# ) (segid a and resid 36 and name HN ) 3.0 1.2 0.5 ! A.248 at 3.17e+06 assign (segid a and resid 36 and name HN ) (segid a and resid 37 and name HN ) 3.0 1.2 0.5 ! A.242 at 2.62e+06 assign (segid a and resid 36 and name HA ) (segid a and resid 37 and name HN ) 4.0 2.2 1.0 ! A.124 at 1.07e+06 assign (segid a and resid 36 and name HB# ) (segid a and resid 37 and name HN ) 4.0 2.2 1.0 ! A.575 at 7.97e+05 assign (segid a and resid 36 and name HB# ) (segid a and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.488 at 3.07e+05 ! N37 assign (segid a and resid 37 and name HD2# ) (segid a and resid 37 and name HN ) 4.0 2.2 2.0 ! A.122 at 6.36e+05 assign (segid a and resid 37 and name HB# ) (segid a and resid 37 and name HD2# ) 4.0 2.2 1.0 ! A.489 at 1.18e+06 assign (segid a and resid 37 and name HB# ) (segid a and resid 37 and name HN ) 4.0 2.2 1.0 ! B.530 at -2.75e+06 assign (segid a and resid 37 and name HA ) (segid a and resid 37 and name HD2# ) 4.0 2.2 2.0 ! C.312 at 1.56e+06 assign (segid a and resid 37 and name HN ) (segid a and resid 38 and name HN ) 3.0 1.2 0.5 ! A.118 at 3.26e+06 assign (segid a and resid 37 and name HN ) (segid a and resid 38 and name HA# ) 4.0 2.2 2.0 ! A.617 at 3.45e+05 assign (segid a and resid 37 and name HB# ) (segid a and resid 38 and name HN ) 4.0 2.2 2.0 ! A.263 at 4.96e+05 assign (segid a and resid 37 and name HA ) (segid a and resid 38 and name HN ) 4.0 2.2 1.0 ! A.579 at 1.29e+06 assign (segid a and resid 37 and name HN ) (segid a and resid 39 and name HN ) 4.0 2.2 1.0 ! A.267 at 9.48e+05 assign (segid a and resid 37 and name HN ) (segid a and resid 39 and name HG2# ) 4.0 2.2 2.5 ! A.254 at 4.16e+05 assign (segid a and resid 37 and name HD2# ) (segid a and resid 39 and name HA ) 4.0 2.2 2.0 ! C.311 at 1.47e+06 assign (segid a and resid 37 and name HB# ) (segid a and resid 39 and name HG2# ) 4.0 2.2 2.5 ! E.894 at -4.28e+05 assign (segid a and ((resid 37 and name HN ) or (resid 35 and name HD2# ))) (segid a and resid 40 and name HB# ) 4.0 2.2 2.0 ! B.808 at -9.78e+05 ! G38 assign (segid a and resid 38 and name HA# ) (segid a and resid 39 and name HN ) 4.0 2.2 1.0 ! A.272 at 1.40e+06 assign (segid a and resid 38 and name HN ) (segid a and resid 39 and name HN ) 3.0 1.2 0.5 ! A.266 at 3.12e+06 assign (segid a and resid 38 and name HN ) (segid a and resid 39 and name HA ) 4.0 2.2 2.0 ! A.598 at 5.38e+05 assign (segid a and resid 38 and name HN ) (segid a and resid 39 and name HG2# ) 4.0 2.2 2.5 ! A.264 at 4.99e+05 ! V39 assign (segid a and resid 39 and name HB ) (segid a and resid 39 and name HN ) 3.0 1.2 0.5 ! A.275 at 3.76e+06 assign (segid a and resid 39 and name HG2# ) (segid a and resid 39 and name HN ) 3.0 1.2 1.0 ! A.276 at 4.04e+06 assign (segid a and resid 39 and name HG1# ) (segid a and resid 39 and name HA ) 2.5 0.7 0.7 ! B.837 at 1.02e+07 assign (segid a and resid 39 and name HG1# ) (segid a and resid 39 and name HN ) 4.0 2.2 1.5 ! B.846 at 2.73e+06 assign (segid a and resid 39 and name HA ) (segid a and resid 39 and name HG2# ) 3.0 1.2 0.8 ! B.1467 at 9.24e+06 assign (segid a and resid 39 and name HA ) (segid a and resid 40 and name HN ) 2.5 0.7 0.4 ! A.278 at 5.27e+06 assign (segid a and resid 39 and name HA ) (segid a and resid 40 and name HA ) 4.0 2.2 1.0 ! B.1274 at -1.21e+06 assign (segid a and resid 39 and name HN ) (segid a and resid 40 and name HN ) 4.0 2.2 2.0 ! A.265 at 5.04e+05 assign (segid a and resid 39 and name HG1# ) (segid a and resid 40 and name HN ) 3.0 1.2 1.0 ! B.848 at 6.80e+06 assign (segid a and resid 39 and name HG2# ) (segid a and resid 40 and name HB# ) 4.0 2.2 2.5 ! B.817 at -8.59e+05 assign (segid a and resid 39 and name HA ) (segid a and resid 40 and name HB# ) 4.0 2.2 1.0 ! B.814 at -1.53e+06 assign (segid a and resid 39 and name HG1# ) (segid a and resid 40 and name HA ) 4.0 2.2 2.5 ! B.1624 at 6.69e+05 assign (segid a and resid 39 and name HB ) (segid a and resid 40 and name HN ) 4.0 2.2 2.0 ! B.150 at -7.43e+05 assign (segid a and resid 39 and name HG2# ) (segid a and resid 40 and name HN ) 3.0 1.2 1.0 ! C.185 at 6.19e+06 ! D40 assign (segid a and resid 40 and name HB# ) (segid a and resid 40 and name HN ) 3.0 1.2 0.5 ! A.279 at 1.84e+06 assign (segid a and resid 40 and name HA ) (segid a and resid 41 and name HN ) 2.5 0.7 0.4 ! A.286 at 7.94e+06 assign (segid a and resid 40 and name HB# ) (segid a and resid 41 and name HN ) 4.0 2.2 1.0 ! A.291 at 1.46e+06 assign (segid a and resid 40 and name HN ) (segid a and resid 41 and name HN ) 4.0 2.2 2.0 ! A.282 at 4.56e+05 assign (segid a and resid 40 and name HA ) (segid a and resid 41 and name HA# ) 4.0 2.2 2.0 ! B.1273 at -1.09e+06 assign (segid a and resid 40 and name HB# ) (segid a and resid 41 and name HA# ) 4.0 2.2 2.0 ! B.1670 at -6.06e+05 ! G41 assign (segid a and resid 41 and name HA# ) (segid a and resid 42 and name HN ) 3.0 1.2 0.5 ! A.300 at 4.09e+06 assign (segid a and resid 41 and name HN ) (segid a and resid 42 and name HN ) 4.0 2.2 1.0 ! A.296 at 8.36e+05 ! E42 assign (segid a and resid 42 and name HB# ) (segid a and resid 42 and name HN ) 4.0 2.2 1.0 ! B.121 at -1.76e+06 assign (segid a and resid 42 and name HA ) (segid a and resid 42 and name HG# ) 4.0 2.2 1.0 ! B.1345 at 2.25e+06 assign (segid a and resid 42 and name HG# ) (segid a and resid 42 and name HN ) 4.0 2.2 1.0 ! C.201 at -2.41e+06 assign (segid a and resid 42 and name HB# ) (segid a and resid 43 and name HN ) 4.0 2.2 1.0 ! A.317 at 1.77e+06 assign (segid a and resid 42 and name HA ) (segid a and resid 43 and name HN ) 2.5 0.7 0.4 ! A.312 at 7.13e+06 assign (segid a and resid 42 and name HN ) (segid a and resid 43 and name HN ) 4.0 2.2 2.0 ! A.308 at 3.90e+05 assign (segid a and resid 42 and name HA ) (segid a and resid 43 and name HD1 ) 4.0 2.2 1.0 ! B.22 at 1.20e+06 assign (segid a and resid 42 and name HG# ) (segid a and resid 43 and name HN ) 4.0 2.2 2.0 ! B.186 at -1.14e+06 assign (segid a and resid 42 and name HA ) (segid a and resid 43 and name HB# ) 4.0 2.2 2.0 ! B.1298 at 5.76e+05 assign (segid a and resid 42 and name HB# ) (segid a and resid 44 and name HG2# ) 4.0 2.2 1.5 ! B.116 at -1.74e+06 ! W43 !assign (segid a and resid 43 and name HH2 ) (segid a and resid 43 and name HE1 ) 4.0 2.2 2.0 ! A.535 at 3.72e+05 !assign (segid a and resid 43 and name HD1 ) (segid a and resid 43 and name HN ) 3.0 1.2 0.5 ! A.307 at 2.39e+06 !assign (segid a and resid 43 and name HB# ) (segid a and resid 43 and name HN ) 4.0 2.2 1.0 ! A.314 at 1.76e+06 !assign (segid a and resid 43 and name HB# ) (segid a and resid 43 and name HD1 ) 4.0 2.2 1.0 ! B.1184 at 1.54e+06 !assign (segid a and resid 43 and name HZ3 ) (segid a and resid 43 and name HH2 ) 4.0 2.2 1.0 ! B.613 at -1.94e+06 !assign (segid a and resid 43 and name HE3 ) (segid a and resid 43 and name HB# ) 4.0 2.2 1.0 ! B.397 at -1.15e+06 !assign (segid a and resid 43 and name HE3 ) (segid a and resid 43 and name HA ) 4.0 2.2 1.0 ! B.352 at -1.31e+06 assign (segid a and resid 43 and name HN ) (segid a and resid 44 and name HN ) 4.0 2.2 2.0 ! A.305 at 4.45e+05 assign (segid a and resid 43 and name HE3 ) (segid a and resid 44 and name HN ) 4.0 2.2 1.0 ! A.322 at 9.25e+05 assign (segid a and resid 43 and name HA ) (segid a and resid 44 and name HN ) 2.5 0.7 0.4 ! A.323 at 5.62e+06 assign (segid a and resid 43 and name HB# ) (segid a and resid 44 and name HN ) 4.0 2.2 2.0 ! A.328 at 4.82e+05 assign (segid a and resid 43 and name HA ) (segid a and resid 44 and name HB ) 4.0 2.2 2.0 ! B.1606 at 6.52e+05 assign (segid a and resid 43 and name HA ) (segid a and resid 44 and name HG2# ) 4.0 2.2 1.5 ! B.727 at 1.68e+06 assign (segid a and resid 43 and name HN ) (segid a and resid 44 and name HG2# ) 4.0 2.2 2.5 ! B.1503 at 6.50e+05 assign (segid a and resid 43 and name HA ) (segid a and resid 45 and name HN ) 4.0 2.2 2.0 ! C.450 at 1.34e+06 ! T44 assign (segid a and resid 44 and name HB ) (segid a and resid 44 and name HN ) 4.0 2.2 1.0 ! A.326 at 6.41e+05 assign (segid a and resid 44 and name HA ) (segid a and resid 44 and name HG2# ) 2.5 0.7 0.7 ! B.1040 at 1.08e+07 assign (segid a and resid 44 and name HG2# ) (segid a and resid 44 and name HN ) 4.0 2.2 1.5 ! C.218 at 4.47e+06 assign (segid a and resid 44 and name HG2# ) (segid a and resid 45 and name HN ) 3.0 1.2 1.0 ! A.336 at 1.99e+06 assign (segid a and resid 44 and name HB ) (segid a and resid 45 and name HN ) 3.0 1.2 0.5 ! A.600 at 2.88e+06 assign (segid a and resid 44 and name HN ) (segid a and resid 45 and name HN ) 4.0 2.2 2.0 ! A.320 at 4.77e+05 assign (segid a and resid 44 and name HB ) (segid a and resid 45 and name HD# ) 4.0 2.2 2.0 ! B.1500 at 6.33e+05 assign (segid a and resid 44 and name HB ) (segid a and resid 45 and name HB# ) 4.0 2.2 2.0 ! B.1498 at 9.99e+05 assign (segid a and resid 44 and name HG2# ) (segid a and resid 45 and name HD# ) 4.0 2.2 1.5 ! B.710 at 1.31e+06 assign (segid a and resid 44 and name HA ) (segid a and resid 45 and name HN ) 2.5 0.7 0.4 ! B.439 at 1.15e+07 assign (segid a and resid 44 and name HA ) (segid a and resid 45 and name HE# ) 4.0 2.2 2.0 ! D.168 at -2.88e+05 ! Y45 assign (segid a and resid 45 and name HB# ) (segid a and resid 45 and name HN ) 3.0 1.2 0.5 ! A.334 at 2.30e+06 assign (segid a and resid 45 and name HD# ) (segid a and resid 45 and name HN ) 4.0 2.2 1.0 ! A.332 at 1.45e+06 assign (segid a and resid 45 and name HD# ) (segid a and resid 45 and name HA ) 4.0 2.2 1.0 ! B.67 at -1.83e+06 assign (segid a and resid 45 and name HB# ) (segid a and resid 45 and name HD# ) 4.0 2.2 1.0 ! B.76 at -2.91e+06 assign (segid a and resid 45 and name HE# ) (segid a and resid 45 and name HB# ) 4.0 2.2 2.0 ! B.206 at -1.11e+06 assign (segid a and resid 45 and name HE# ) (segid a and resid 45 and name HN ) 4.0 2.2 2.0 ! B.214 at -9.00e+05 assign (segid a and resid 45 and name HE# ) (segid a and resid 45 and name HA ) 4.0 2.2 1.0 ! D.538 at -4.03e+05 assign (segid a and resid 45 and name HA ) (segid a and resid 46 and name HB# ) 4.0 2.2 2.0 ! B.447 at 8.59e+05 assign (segid a and resid 45 and name HA ) (segid a and resid 46 and name HN ) 3.0 1.2 0.5 ! C.224 at 1.31e+07 constraint loosened assign (segid a and resid 45 and name HB# ) (segid a and resid 46 and name HN ) 4.0 2.2 1.0 ! C.226 at -2.70e+06 ! D46 assign (segid a and resid 46 and name HB# ) (segid a and resid 46 and name HN ) 4.0 2.2 1.0 ! B.1294 at -2.75e+06 assign (segid a and resid 46 and name HA ) (segid a and resid 47 and name HN ) 2.5 0.7 0.4 ! A.351 at 8.31e+06 ! D47 assign (segid a and resid 47 and name HB# ) (segid a and resid 47 and name HN ) 2.5 0.7 0.4 ! C.232 at -1.54e+07 assign (segid a and resid 47 and name HA ) (segid a and resid 48 and name HN ) 2.5 0.7 0.4 ! A.357 at 1.00e+07 assign (segid a and resid 47 and name HN ) (segid a and resid 48 and name HN ) 4.0 2.2 2.0 ! A.355 at 5.75e+05 assign (segid a and resid 47 and name HB# ) (segid a and resid 48 and name HA ) 4.0 2.2 2.0 ! B.1481 at -5.93e+05 assign (segid a and resid 47 and name HB# ) (segid a and resid 48 and name HB# ) 4.0 2.2 1.5 ! B.1314 at 1.80e+06 assign (segid a and resid 47 and name HA ) (segid a and resid 48 and name HB# ) 4.0 2.2 1.5 ! B.548 at 5.84e+06 lowered assign (segid a and resid 47 and name HA ) (segid a and resid 48 and name HA ) 4.0 2.2 1.0 ! B.1598 at 2.33e+06 assign (segid a and resid 47 and name HB# ) (segid a and resid 48 and name HN ) 4.0 2.2 1.0 ! C.234 at -2.46e+06 ! A48 assign (segid a and resid 48 and name HB# ) (segid a and resid 48 and name HN ) 2.5 0.7 0.9 ! C.235 at 1.98e+07 assign (segid a and resid 48 and name HA ) (segid a and resid 49 and name HB ) 4.0 2.2 1.0 ! B.1236 at 1.45e+06 assign (segid a and resid 48 and name HB# ) (segid a and resid 49 and name HB ) 4.0 2.2 1.5 ! B.1343 at 1.30e+06 assign (segid a and resid 48 and name HB# ) (segid a and resid 49 and name HA ) 4.0 2.2 1.5 ! B.547 at 1.51e+06 assign (segid a and resid 48 and name HA ) (segid a and resid 49 and name HA ) 4.0 2.2 2.0 ! B.537 at 9.19e+05 assign (segid a and resid 48 and name HB# ) (segid a and resid 49 and name HN ) 2.5 0.7 0.9 ! C.236 at 1.53e+07 assign (segid a and resid 48 and name HA ) (segid a and resid 49 and name HN ) 3.0 1.2 0.5 ! C.25 at -2.34e+07 constaint loosened assign (segid a and resid 48 and name HB# ) (segid a and resid 50 and name HA ) 4.0 2.2 2.5 ! D.631 at 3.28e+05 ! T49 assign (segid a and resid 49 and name HA ) (segid a and resid 49 and name HG2# ) 3.0 1.2 0.8 ! B.532 at 4.86e+06 assign (segid a and resid 49 and name HB ) (segid a and resid 49 and name HN ) 4.0 2.2 1.0 ! C.24 at 6.35e+06 constraint loosened assign (segid a and resid 49 and name HB ) (segid a and resid 50 and name HN ) 4.0 2.2 1.0 ! B.1232 at 1.50e+06 assign (segid a and resid 49 and name HA ) (segid a and resid 50 and name HE# ) 4.0 2.2 1.0 ! B.535 at 2.73e+06 assign (segid a and resid 49 and name HA ) (segid a and resid 50 and name HN ) 3.0 1.2 0.5 ! B.539 at 7.55e+06 ! K50 assign (segid a and resid 50 and name HG# ) (segid a and resid 50 and name HN ) 4.0 2.2 2.0 ! A.348 at 5.85e+05 assign (segid a and resid 50 and name HD# ) (segid a and resid 50 and name HA ) 4.0 2.2 2.0 ! B.1472 at 7.87e+05 assign (segid a and resid 50 and name HG# ) (segid a and resid 50 and name HE# ) 4.0 2.2 1.0 ! B.1041 at 2.49e+06 assign (segid a and resid 50 and name HG# ) (segid a and resid 50 and name HA ) 4.0 2.2 1.0 ! B.1037 at 1.56e+06 assign (segid a and resid 50 and name HE# ) (segid a and resid 50 and name HN ) 4.0 2.2 2.0 ! B.646 at -5.39e+05 assign (segid a and resid 50 and name HB# ) (segid a and resid 50 and name HD# ) 4.0 2.2 2.0 ! D.444 at -3.36e+05 assign (segid a and resid 50 and name HG# ) (segid a and resid 51 and name HN ) 4.0 2.2 2.0 ! A.378 at 3.74e+05 assign (segid a and resid 50 and name HA ) (segid a and resid 51 and name HB ) 4.0 2.2 2.0 ! B.1168 at 1.04e+06 assign (segid a and resid 50 and name HA ) (segid a and resid 51 and name HN ) 3.0 1.2 0.5 ! B.156 at 4.83e+06 assign (segid a and resid 50 and name HB# ) (segid a and resid 51 and name HN ) 4.0 2.2 2.0 ! C.372 at -1.48e+06 ! T51 assign (segid a and resid 51 and name HG2# ) (segid a and resid 51 and name HA ) 2.5 0.7 0.7 ! B.784 at 1.04e+07 assign (segid a and resid 51 and name HB ) (segid a and resid 51 and name HN ) 3.0 1.2 0.5 ! C.481 at 4.65e+06 assign (segid a and resid 51 and name HA ) (segid a and resid 52 and name HN ) 2.5 0.7 0.4 ! A.383 at 5.33e+06 assign (segid a and resid 51 and name HN ) (segid a and resid 52 and name HN ) 4.0 2.2 2.0 ! A.368 at 3.17e+05 assign (segid a and resid 51 and name HB ) (segid a and resid 52 and name HN ) 4.0 2.2 1.0 ! B.1170 at 1.27e+06 assign (segid a and resid 51 and name HA ) (segid a and resid 52 and name HB# ) 4.0 2.2 2.0 ! B.464 at 6.38e+05 ! F52 assign (segid a and resid 52 and name HD# ) (segid a and resid 52 and name HN ) 4.0 2.2 1.0 ! A.384 at 8.36e+05 assign (segid a and resid 52 and name HB# ) (segid a and resid 52 and name HN ) 4.0 2.2 1.0 ! A.387 at 1.75e+06 assign (segid a and resid 52 and name HD# ) (segid a and resid 52 and name HB# ) 4.0 2.2 1.0 ! B.1086 at -2.30e+06 assign (segid a and resid 52 and name HD# ) (segid a and resid 52 and name HA ) 4.0 2.2 1.0 ! B.1084 at -1.80e+06 assign (segid a and resid 52 and name HD# ) (segid a and resid 52 and name HZ ) 4.0 2.2 2.0 ! B.1076 at -7.94e+05 assign (segid a and resid 52 and name HE# ) (segid a and resid 53 and name HN ) 4.0 2.2 2.0 ! A.576 at 3.18e+05 assign (segid a and resid 52 and name HB# ) (segid a and resid 53 and name HN ) 4.0 2.2 2.0 ! A.397 at 4.48e+05 assign (segid a and resid 52 and name HD# ) (segid a and resid 53 and name HN ) 4.0 2.2 1.0 ! A.393 at 1.11e+06 assign (segid a and resid 52 and name HA ) (segid a and resid 53 and name HN ) 3.0 1.2 0.5 ! B.394 at 3.71e+06 assign (segid a and resid 52 and name HE# ) (segid a and resid 54 and name HG2# ) 4.0 2.2 1.5 ! B.725 at 1.62e+06 assign (segid a and resid 52 and name HE# ) (segid a and resid 54 and name HA ) 4.0 2.2 2.0 ! B.1052 at -5.52e+05 assign (segid a and resid 52 and name HD# ) (segid a and resid 54 and name HG1# ) 4.0 2.2 1.5 ! B.724 at 1.24e+06 assign (segid a and resid 52 and name HD# ) (segid a and resid 54 and name HG2# ) 3.0 1.2 0.8 ! B.1325 at 3.46e+06 ! T53 assign (segid a and resid 53 and name HB ) (segid a and resid 53 and name HN ) 3.0 1.2 0.5 ! C.256 at 9.70e+06 assign (segid a and resid 53 and name HG2# ) (segid a and resid 53 and name HN ) 3.0 1.2 1.0 ! C.257 at 1.28e+07 assign (segid a and resid 53 and name HA ) (segid a and resid 54 and name HG2# ) 4.0 2.2 1.5 ! B.564 at 2.76e+06 assign (segid a and resid 53 and name HA ) (segid a and resid 54 and name HN ) 2.5 0.7 0.4 ! C.255 at 2.35e+07 ! V54 assign (segid a and resid 54 and name HA ) (segid a and resid 54 and name HG1# ) 3.0 1.2 0.8 ! B.631 at 5.62e+06 assign (segid a and resid 54 and name HB ) (segid a and resid 55 and name HN ) 3.0 1.2 0.5 ! A.412 at 1.82e+06 assign (segid a and resid 54 and name HG1# ) (segid a and resid 55 and name HN ) 3.0 1.2 1.0 ! C.264 at 7.25e+06 assign (segid a and resid 54 and name HA ) (segid a and resid 55 and name HN ) 2.5 0.7 0.4 ! C.262 at 2.06e+07 ! T55 assign (segid a and resid 55 and name HG2# ) (segid a and resid 55 and name HN ) 4.0 2.2 1.5 ! A.413 at 1.39e+06 assign (segid a and resid 55 and name HB ) (segid a and resid 55 and name HN ) 2.5 0.7 0.4 ! B.1133 at 1.02e+07 assign (segid a and resid 55 and name HB ) (segid a and resid 56 and name HN ) 4.0 2.2 1.0 ! A.420 at 1.57e+06 assign (segid a and resid 55 and name HN ) (segid a and resid 56 and name HN ) 4.0 2.2 1.0 ! A.416 at 1.16e+06 assign (segid a and resid 55 and name HG2# ) (segid a and resid 56 and name HN ) 3.0 1.2 1.0 ! B.1512 at 7.86e+06 assign (segid a and resid 55 and name HA ) (segid a and resid 56 and name HN ) 3.0 1.2 0.5 ! B.605 at 2.33e+07 constraint loosened assign (segid a and resid 55 and name HN ) (segid a and resid 56 and name HA ) 4.0 2.2 2.0 ! B.335 at 6.41e+05 ! E56 assign (segid a and resid 56 and name HB# ) (segid a and resid 56 and name HN ) 3.0 1.2 0.5 ! B.1251 at 3.47e+06 assign (segid a and resid 56 and name HG# ) (segid a and resid 56 and name HN ) 3.0 1.2 0.5 ! C.271 at -1.07e+07 assign (segid a and resid 56 and name HA ) (segid a and resid 56 and name HG# ) 3.0 1.2 0.3 ! D.284 at -1.85e+06 !@ END_XPLR_NOE_FILE ! pck2xplr.nawk Table; Input File: CC.PCK ! Date: Mon Aug 23 13:12:05 EDT 1999 ! Path: /net/kirsten1/sp2/hs124/N15noe_flip/noes/may13_8 ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A N15.PCK 241 49 107 45 40 ! B c13.PCK 357 83 84 82 108 ! C NC.PCK 89 23 23 15 28 ! D CC.PCK 62 17 5 11 29 ! Total 749 172 219 153 205 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! M1 assign (segid b and resid 1 and name HG# ) (segid b and resid 1 and name HA ) 4.0 2.2 1.0 ! B.1227 at 1.16e+06 assign (segid b and resid 1 and name HG# ) (segid b and resid 1 and name HE# ) 3.0 1.2 0.8 ! D.177 at 9.95e+05 assign (segid b and resid 1 and name HB# ) (segid b and resid 1 and name HE# ) 3.0 1.2 0.8 ! D.178 at 1.19e+06 assign (segid b and resid 1 and name HB# ) (segid b and resid 2 and name HN ) 4.0 2.2 2.0 ! B.31 at 7.19e+05 assign (segid b and resid 1 and name HE# ) (segid b and resid 2 and name HN ) 3.0 1.2 1.0 ! B.281 at 3.63e+06 assign (segid b and resid 1 and name HA ) (segid b and resid 2 and name HN ) 3.0 1.2 0.5 ! B.215 at 6.07e+06 assign (segid b and resid 1 and name HB# ) (segid b and resid 3 and name HE# ) 4.0 2.2 2.0 ! B.34 at 7.05e+05 assign (segid b and ((resid 1 and name HG# ) or (resid 2 and name HB# ))) (segid b and resid 3 and name HD# ) 4.0 2.2 2.0 ! B.1510 at 6.45e+05 assign (segid b and resid 1 and name HG# ) (segid b and resid 3 and name HE# ) 4.0 2.2 2.0 ! B.1224 at 7.50e+05 assign (segid b and resid 1 and name HE# ) (segid b and resid 3 and name HE# ) 4.0 2.2 1.5 ! B.278 at 2.26e+06 assign (segid b and resid 1 and name HE# ) (segid b and resid 3 and name HD# ) 4.0 2.2 2.5 ! B.1425 at 7.31e+05 ! Q2 assign (segid b and resid 2 and name HG# ) (segid b and resid 2 and name HE2# ) 4.0 2.2 1.0 ! B.195 at -1.35e+06 assign (segid b and resid 2 and name HG# ) (segid b and resid 2 and name HN ) 4.0 2.2 1.0 ! B.200 at -1.18e+06 assign (segid b and resid 2 and name HA ) (segid b and resid 2 and name HG# ) 4.0 2.2 2.0 ! D.645 at -3.51e+05 assign (segid b and resid 2 and name HB# ) (segid b and resid 3 and name HN ) 4.0 2.2 1.0 ! A.13 at 8.34e+05 assign (segid b and resid 2 and name HA ) (segid b and resid 3 and name HN ) 3.0 1.2 0.5 ! A.536 at 4.21e+06 assign (segid b and resid 2 and name HA ) (segid b and resid 3 and name HD# ) 4.0 2.2 2.0 ! B.56 at -5.07e+05 assign (segid b and resid 2 and name HG# ) (segid b and resid 3 and name HN ) 4.0 2.2 2.0 ! B.201 at -5.49e+05 assign (segid b and resid 2 and name HG# ) (segid b and resid 4 and name HN ) 4.0 2.2 1.0 ! C.31 at -2.30e+06 ! Y3 assign (segid b and resid 3 and name HB# ) (segid b and resid 3 and name HN ) 4.0 2.2 1.0 ! A.12 at 1.54e+06 assign (segid b and resid 3 and name HD# ) (segid b and resid 3 and name HN ) 4.0 2.2 1.0 ! A.8 at 1.64e+06 assign (segid b and resid 3 and name HD# ) (segid b and resid 3 and name HB# ) 4.0 2.2 1.0 ! B.55 at -2.64e+06 assign (segid b and resid 3 and name HD# ) (segid b and resid 3 and name HA ) 4.0 2.2 1.0 ! B.57 at -1.61e+06 assign (segid b and resid 3 and name HE# ) (segid b and resid 3 and name HA ) 4.0 2.2 2.0 ! D.593 at -3.12e+05 assign (segid b and resid 3 and name HD# ) (segid b and resid 4 and name HN ) 4.0 2.2 2.0 ! A.20 at 4.84e+05 assign (segid b and resid 3 and name HA ) (segid b and resid 4 and name HN ) 3.0 1.2 0.5 ! A.23 at 4.32e+06 assign (segid b and resid 3 and name HB# ) (segid b and resid 4 and name HN ) 4.0 2.2 2.0 ! A.24 at 6.19e+05 assign (segid b and resid 3 and name HN ) (segid b and resid 4 and name HA ) 4.0 2.2 2.0 ! A.10 at 3.16e+05 assign (segid b and resid 3 and name HD# ) (segid b and resid 4 and name HA ) 4.0 2.2 2.0 ! B.59 at -8.49e+05 assign (segid b and resid 3 and name HA ) (segid b and resid 4 and name HB# ) 4.0 2.2 2.0 ! B.229 at -5.91e+05 ! K4 ! V5 assign (segid b and resid 5 and name HG* ) (segid b and resid 5 and name HN ) 4.0 2.2 1.5 ! A.37 at 8.73e+05 assign (segid b and resid 5 and name HB ) (segid b and resid 5 and name HN ) 4.0 2.2 1.0 ! A.40 at 1.80e+06 assign (segid b and resid 5 and name HA ) (segid b and resid 5 and name HG* ) 3.0 1.2 0.8 ! B.1293 at 3.51e+06 assign (segid b and resid 5 and name HA ) (segid b and resid 6 and name HN ) 2.5 0.7 0.4 ! A.42 at 6.88e+06 assign (segid b and resid 5 and name HG* ) (segid b and resid 6 and name HN ) 3.0 1.2 1.0 ! B.666 at 6.22e+06 assign (segid b and resid 5 and name HG* ) (segid b and resid 7 and name HD* ) 4.0 2.2 2.0 ! D.497 at 6.48e+05 ! I6 assign (segid b and resid 6 and name HG1# ) (segid b and resid 6 and name HN ) 4.0 2.2 2.0 ! B.1120 at 1.00e+06 assign (segid b and resid 6 and name HG1# ) (segid b and resid 6 and name HA ) 4.0 2.2 1.0 ! D.11 at 3.85e+05 assign (segid b and resid 6 and name HB ) (segid b and resid 6 and name HN ) 4.0 2.2 1.0 ! B.1639 at -2.31e+06 assign (segid b and resid 6 and name HG2# ) (segid b and resid 6 and name HN ) 4.0 2.2 1.5 ! B.400 at 1.71e+06 assign (segid b and resid 6 and name HD# ) (segid b and resid 6 and name HA ) 4.0 2.2 1.5 ! B.1346 at 2.00e+06 assign (segid b and resid 6 and name HD# ) (segid b and resid 6 and name HN ) 4.0 2.2 1.5 ! B.166 at 1.91e+06 assign (segid b and resid 6 and name HG2# ) (segid b and resid 6 and name HA ) 3.0 1.2 0.8 ! D.10 at 1.59e+06 assign (segid b and resid 6 and name HD# ) (segid b and resid 6 and name HB ) 3.0 1.2 0.8 ! D.16 at -1.31e+06 assign (segid b and resid 6 and name HN ) (segid b and resid 7 and name HN ) 4.0 2.2 2.0 ! A.41 at 3.54e+05 assign (segid b and resid 6 and name HG1# ) (segid b and resid 7 and name HN ) 4.0 2.2 2.0 ! A.54 at 4.61e+05 assign (segid b and resid 6 and name HG2# ) (segid b and resid 7 and name HN ) 3.0 1.2 1.0 ! A.55 at 2.54e+06 assign (segid b and resid 6 and name HA ) (segid b and resid 7 and name HN ) 2.5 0.7 0.4 ! A.50 at 6.92e+06 assign (segid b and resid 6 and name HD# ) (segid b and resid 7 and name HN ) 4.0 2.2 2.5 ! B.167 at 8.13e+05 assign (segid b and resid 6 and name HG2# ) (segid b and resid 8 and name HN ) 4.0 2.2 1.5 ! A.63 at 9.94e+05 assign (segid b and resid 6 and name HG2# ) (segid b and resid 8 and name HD2# ) 4.0 2.2 1.5 ! A.518 at 6.40e+05 assign (segid b and resid 6 and name HG2# ) (segid b and resid 8 and name HA ) 4.0 2.2 1.5 ! B.1 at -1.39e+06 ! L7 assign (segid b and resid 7 and name HB# ) (segid b and resid 7 and name HN ) 3.0 1.2 0.5 ! A.52 at 2.68e+06 assign (segid b and resid 7 and name HG ) (segid b and resid 7 and name HN ) 4.0 2.2 1.0 ! A.53 at 1.07e+06 assign (segid b and resid 7 and name HD* ) (segid b and resid 7 and name HN ) 4.0 2.2 2.5 ! A.57 at 5.94e+05 assign (segid b and resid 7 and name HG ) (segid b and resid 7 and name HA ) 4.0 2.2 2.0 ! B.1548 at 7.46e+05 assign (segid b and resid 7 and name HD* ) (segid b and resid 7 and name HB# ) 4.0 2.2 1.5 ! B.960 at 8.81e+06 assign (segid b and resid 7 and name HA ) (segid b and resid 7 and name HD* ) 4.0 2.2 2.5 ! B.1299 at 3.38e+06 assign (segid b and resid 7 and name HB# ) (segid b and resid 8 and name HN ) 4.0 2.2 1.0 ! A.62 at 1.16e+06 !assign (segid b and resid 7 and name HD* ) (segid b and resid 8 and name HN ) 4.0 2.2 1.5 ! A.64 at 9.20e+05 !assign (segid b and resid 7 and name HD* ) !(segid b and resid 8 and name HA ) 4.0 2.2 1.5 ! D.729 at -1.05e+06 constraint loosened !assign (segid b and resid 7 and name HB# ) (segid b and resid 8 and name HA ) 4.0 2.2 1.0 ! D.67 at -4.25e+05 ! N8 assign (segid b and resid 8 and name HB# ) (segid b and resid 8 and name HD2# ) 3.0 1.2 0.3 ! A.515 at 2.38e+06 assign (segid b and resid 8 and name HA ) (segid b and resid 8 and name HD2# ) 4.0 2.2 2.0 ! C.279 at 1.38e+06 assign (segid b and resid 8 and name HN ) (segid b and resid 9 and name HN ) 4.0 2.2 1.0 ! A.58 at 7.99e+05 assign (segid b and resid 8 and name HB# ) (segid b and resid 9 and name HN ) 4.0 2.2 1.0 ! A.70 at 1.36e+06 assign (segid b and resid 8 and name HA ) (segid b and resid 9 and name HN ) 3.0 1.2 0.5 ! A.67 at 2.25e+06 assign (segid b and resid 8 and name HN ) (segid b and resid 10 and name HN ) 4.0 2.2 2.0 ! A.587 at 3.22e+05 ! G9 assign (segid b and resid 9 and name HA# ) (segid b and resid 10 and name HN ) 2.5 0.7 0.4 ! A.73 at 5.80e+06 assign (segid b and resid 9 and name HN ) (segid b and resid 10 and name HN ) 4.0 2.2 1.0 ! A.83 at 9.65e+05 ! K10 assign (segid b and resid 10 and name HA ) (segid b and resid 10 and name HG# ) 3.0 1.2 0.3 ! B.230 at 5.19e+06 assign (segid b and resid 10 and name HB# ) (segid b and resid 10 and name HN ) 3.0 1.2 0.5 ! C.56 at -1.08e+07 assign (segid b and resid 10 and name HA ) (segid b and resid 11 and name HN ) 2.5 0.7 0.4 ! A.84 at 6.81e+06 assign (segid b and resid 10 and name HA ) (segid b and resid 11 and name HG2# ) 4.0 2.2 1.5 ! B.235 at 1.87e+06 assign (segid b and resid 10 and name HB# ) (segid b and resid 11 and name HN ) 4.0 2.2 1.0 ! C.20 at -3.99e+06 ! T11 assign (segid b and resid 11 and name HG2# ) (segid b and resid 11 and name HN ) 3.0 1.2 1.0 ! A.87 at 2.86e+06 assign (segid b and resid 11 and name HG2# ) (segid b and resid 12 and name HD* ) 4.0 2.2 2.0 ! B.1031 at 2.56e+06 assign (segid b and resid 11 and name HA ) (segid b and resid 12 and name HN ) 2.5 0.7 0.4 ! C.63 at 3.12e+07 ! L12 assign (segid b and resid 12 and name HG ) (segid b and resid 12 and name HN ) 4.0 2.2 1.0 ! B.1078 at 1.75e+06 assign (segid b and resid 12 and name HG ) (segid b and resid 12 and name HA ) 4.0 2.2 1.0 ! B.1079 at 1.46e+06 assign (segid b and resid 12 and name HD* ) (segid b and resid 12 and name HB# ) 3.0 1.2 0.8 ! B.1009 at 9.28e+06 assign (segid b and resid 12 and name HD* ) (segid b and resid 12 and name HA ) 3.0 1.2 0.8 ! B.904 at 8.24e+06 assign (segid b and resid 12 and name HD* ) (segid b and resid 12 and name HN ) 4.0 2.2 1.5 ! B.905 at 1.15e+06 assign (segid b and resid 12 and name HA ) (segid b and resid 13 and name HN ) 3.0 1.2 0.5 ! B.180 at 3.88e+06 assign (segid b and resid 12 and name HB# ) (segid b and resid 13 and name HN ) 4.0 2.2 1.0 ! C.71 at -3.05e+06 ! K13 assign (segid b and resid 13 and name HG# ) (segid b and resid 14 and name HN ) 4.0 2.2 1.0 ! A.104 at 6.38e+05 assign (segid b and resid 13 and name HN ) (segid b and resid 14 and name HA# ) 4.0 2.2 1.0 ! C.68 at -2.17e+06 assign (segid b and resid 13 and name HA ) (segid b and resid 14 and name HN ) 2.5 0.7 0.4 ! C.8 at 1.81e+07 ! G14 assign (segid b and resid 14 and name HN ) (segid b and resid 15 and name HG# ) 4.0 2.2 2.0 ! A.581 at 3.20e+05 assign (segid b and resid 14 and name HA# ) (segid b and resid 15 and name HN ) 4.0 2.2 1.0 ! C.13 at -3.18e+06 assign (segid b and resid 14 and name HA# ) (segid b and resid 16 and name HN ) 4.0 2.2 2.0 ! A.450 at 3.54e+05 ! E15 assign (segid b and resid 15 and name HG# ) (segid b and resid 15 and name HN ) 4.0 2.2 2.0 ! A.582 at 3.99e+05 assign (segid b and resid 15 and name HB# ) (segid b and resid 15 and name HN ) 4.0 2.2 2.0 ! A.583 at 5.70e+05 assign (segid b and resid 15 and name HG# ) (segid b and resid 16 and name HN ) 4.0 2.2 1.0 ! A.451 at 7.23e+05 assign (segid b and resid 15 and name HB# ) (segid b and resid 16 and name HN ) 4.0 2.2 1.0 ! A.452 at 1.25e+06 assign (segid b and resid 15 and name HA ) (segid b and resid 16 and name HN ) 2.5 0.7 0.4 ! C.17 at 4.12e+07 ! T16 assign (segid b and resid 16 and name HB ) (segid b and resid 16 and name HN ) 2.5 0.7 0.4 ! C.19 at 1.53e+07 ! T17 assign (segid b and resid 17 and name HB ) (segid b and resid 18 and name HN ) 2.5 0.7 0.4 ! C.23 at 2.29e+07 ! T18 assign (segid b and resid 18 and name HG2# ) (segid b and resid 18 and name HN ) 2.5 0.7 0.9 ! C.22 at 1.95e+07 ! E19 assign (segid b and resid 19 and name HB# ) (segid b and resid 19 and name HN ) 3.0 1.2 0.5 ! A.526 at 2.27e+06 assign (segid b and resid 19 and name HG# ) (segid b and resid 19 and name HN ) 3.0 1.2 0.5 ! A.527 at 2.61e+06 assign (segid b and resid 19 and name HB# ) (segid b and resid 20 and name HN ) 4.0 2.2 1.0 ! A.542 at 1.28e+06 assign (segid b and resid 19 and name HG# ) (segid b and resid 20 and name HN ) 4.0 2.2 1.0 ! A.543 at 9.59e+05 assign (segid b and resid 19 and name HN ) (segid b and resid 20 and name HB# ) 4.0 2.2 2.5 ! A.530 at 4.90e+05 assign (segid b and resid 19 and name HG# ) (segid b and resid 20 and name HB# ) 4.0 2.2 1.5 ! B.1410 at 1.79e+06 assign (segid b and resid 19 and name HA ) (segid b and resid 20 and name HN ) 2.5 0.7 0.4 ! C.72 at 2.45e+07 assign (segid b and resid 19 and name HB# ) (segid b and resid 21 and name HN ) 4.0 2.2 2.0 ! A.115 at 5.15e+05 assign (segid b and resid 19 and name HA ) (segid b and resid 21 and name HN ) 4.0 2.2 1.0 ! B.1415 at 1.40e+06 ! A20 assign (segid b and resid 20 and name HB# ) (segid b and resid 20 and name HN ) 2.5 0.7 0.9 ! A.107 at 8.84e+06 assign (segid b and resid 20 and name HN ) (segid b and resid 21 and name HN ) 3.0 1.2 0.5 ! A.544 at 3.10e+06 assign (segid b and resid 20 and name HA ) (segid b and resid 21 and name HA ) 4.0 2.2 1.0 ! B.19 at -1.61e+06 assign (segid b and resid 20 and name HA ) (segid b and resid 21 and name HN ) 3.0 1.2 0.5 ! B.10 at -9.23e+06 assign (segid b and resid 20 and name HA ) (segid b and resid 21 and name HG* ) 4.0 2.2 1.5 ! B.14 at -1.68e+06 assign (segid b and resid 20 and name HB# ) (segid b and resid 21 and name HA ) 4.0 2.2 1.5 ! B.1374 at 2.07e+06 assign (segid b and resid 20 and name HB# ) (segid b and resid 21 and name HN ) 3.0 1.2 1.0 ! B.544 at 8.50e+06 assign (segid b and resid 20 and name HB# ) (segid b and resid 21 and name HG* ) 4.0 2.2 2.0 ! D.659 at 4.91e+05 assign (segid b and resid 20 and name HB# ) (segid b and resid 22 and name HB# ) 4.0 2.2 1.5 ! B.1409 at 1.94e+06 assign (segid b and resid 20 and name HB# ) (segid b and resid 22 and name HA ) 4.0 2.2 2.5 ! B.551 at 1.01e+06 !assign (segid b and resid 20 and name HA ) (segid b and resid 23 and name HB# ) 4.0 2.2 2.5 ! B.453 at 8.95e+05 ! V21 assign (segid b and resid 21 and name HG* ) (segid b and resid 21 and name HN ) 3.0 1.2 1.0 ! A.112 at 3.72e+06 assign (segid b and resid 21 and name HA ) (segid b and resid 21 and name HG* ) 2.5 0.7 0.7 ! D.252 at 4.56e+06 assign (segid b and resid 21 and name HA ) (segid b and resid 22 and name HN ) 3.0 1.2 0.5 ! A.132 at 9.58e+06 constraint loosened assign (segid b and resid 21 and name HB ) (segid b and resid 22 and name HN ) 4.0 2.2 1.0 ! A.547 at 1.42e+06 assign (segid b and resid 21 and name HG* ) (segid b and resid 22 and name HA ) 4.0 2.2 2.5 ! B.769 at 7.69e+05 assign (segid b and resid 21 and name HG* ) (segid b and resid 22 and name HB# ) 4.0 2.2 1.5 ! B.765 at 3.04e+06 assign (segid b and resid 21 and name HG* ) (segid b and resid 22 and name HN ) 3.0 1.2 1.0 ! B.1342 at 4.41e+06 assign (segid b and resid 21 and name HA ) (segid b and resid 22 and name HB# ) 4.0 2.2 1.0 ! B.759 at -1.63e+06 !assign (segid b and resid 21 and name HA ) (segid b and resid 24 and name HB# ) 4.0 2.2 2.5 ! D.105 at 2.70e+05 assign (segid b and resid 21 and name HG* ) (segid b and resid 25 and name HB ) 4.0 2.2 2.5 ! B.1068 at 8.40e+05 assign (segid b and resid 21 and name HG* ) (segid b and ((resid 25 and name HG2# ) or (resid 20 and name HB# ))) 4.0 2.2 2.0 ! B.772 at 3.15e+06 assign (segid b and resid 21 and name HG* ) (segid b and resid 26 and name HB# ) 4.0 2.2 2.5 ! B.766 at 1.12e+06 ! D22 assign (segid b and resid 22 and name HB# ) (segid b and resid 22 and name HN ) 2.5 0.7 0.4 ! A.133 at 5.79e+06 assign (segid b and resid 22 and name HN ) (segid b and resid 23 and name HN ) 4.0 2.2 2.0 ! A.549 at 4.85e+05 assign (segid b and resid 22 and name HA ) (segid b and resid 23 and name HN ) 2.5 0.7 0.4 ! A.590 at 7.22e+06 assign (segid b and resid 22 and name HA ) (segid b and ((resid 23 and name HA ) or (resid 24 and name HA ))) 4.0 2.2 2.0 ! B.1653 at 7.17e+05 assign (segid b and resid 22 and name HB# ) (segid b and resid 23 and name HN ) 4.0 2.2 1.0 ! A.550 at 1.42e+06 assign (segid b and resid 22 and name HA ) (segid b and resid 23 and name HB# ) 3.0 1.2 0.8 ! B.449 at 4.48e+06 assign (segid b and resid 22 and name HA ) (segid b and resid 24 and name HN ) 4.0 2.2 1.0 ! A.555 at 1.49e+06 assign (segid b and resid 22 and name HB# ) (segid b and resid 24 and name HN ) 4.0 2.2 2.0 ! A.553 at 5.89e+05 assign (segid b and resid 22 and name HA ) (segid b and resid 24 and name HB# ) 4.0 2.2 2.5 ! B.1487 at 9.26e+05 assign (segid b and resid 22 and name HB# ) (segid b and resid 24 and name HB# ) 4.0 2.2 1.5 ! B.1489 at 1.62e+06 assign (segid b and resid 22 and name HB# ) (segid b and resid 25 and name HN ) 4.0 2.2 1.0 ! A.147 at 9.84e+05 assign (segid b and resid 22 and name HA ) (segid b and resid 25 and name HN ) 4.0 2.2 1.0 ! A.611 at 4.43e+06 constraint loosened assign (segid b and resid 22 and name HB# ) (segid b and resid 25 and name HB ) 3.0 1.2 0.3 ! B.1065 at 3.73e+06 assign (segid b and resid 22 and name HA ) (segid b and resid 25 and name HB ) 4.0 2.2 1.0 ! B.1609 at 2.23e+06 assign (segid b and resid 22 and name HN ) (segid b and resid 25 and name HB ) 4.0 2.2 2.0 ! B.1064 at 1.04e+06 assign (segid b and resid 22 and name HA ) (segid b and resid 25 and name HG2# ) 4.0 2.2 1.5 ! B.835 at 2.47e+06 assign (segid b and resid 22 and name HB# ) (segid b and resid 25 and name HG2# ) 3.0 1.2 0.8 ! B.827 at 4.27e+06 assign (segid b and resid 22 and name HA ) (segid b and resid 26 and name HN ) 4.0 2.2 2.0 ! A.562 at 4.78e+05 ! A23 assign (segid b and resid 23 and name HB# ) (segid b and resid 23 and name HN ) 2.5 0.7 0.9 ! A.137 at 5.66e+06 assign (segid b and resid 23 and name HN ) (segid b and resid 24 and name HN ) 4.0 2.2 1.0 ! A.135 at 1.52e+06 assign (segid b and resid 23 and name HN ) (segid b and resid 24 and name HB# ) 4.0 2.2 1.5 ! B.1484 at 1.46e+06 assign (segid b and resid 23 and name HB# ) (segid b and resid 26 and name HB# ) 4.0 2.2 1.5 ! B.455 at 2.48e+06 assign (segid b and resid 23 and name HB# ) (segid b and resid 26 and name HD# ) 4.0 2.2 2.5 ! B.452 at 6.61e+05 assign (segid b and resid 23 and name HA ) (segid b and resid 26 and name HB# ) 4.0 2.2 1.0 ! B.177 at 2.55e+06 assign (segid b and resid 23 and name HA ) (segid b and resid 26 and name HN ) 4.0 2.2 1.0 ! C.105 at 3.99e+06 assign (segid b and resid 23 and name HB# ) (segid b and resid 26 and name HN ) 4.0 2.2 1.5 ! C.101 at 2.20e+06 ! A24 assign (segid b and resid 24 and name HB# ) (segid b and resid 24 and name HN ) 2.5 0.7 0.9 ! A.142 at 9.12e+06 assign (segid b and resid 24 and name HN ) (segid b and resid 25 and name HN ) 3.0 1.2 0.5 ! A.140 at 3.36e+06 assign (segid b and resid 24 and name HN ) (segid b and resid 25 and name HB ) 4.0 2.2 2.0 ! B.1329 at 8.36e+05 assign (segid b and resid 24 and name HB# ) (segid b and resid 25 and name HB ) 4.0 2.2 1.5 ! B.1486 at 1.19e+06 assign (segid b and resid 24 and name HB# ) (segid b and resid 25 and name HN ) 2.5 0.7 0.9 ! B.1483 at 1.07e+07 assign (segid b and resid 24 and name HA ) (segid b and resid 25 and name HN ) 4.0 2.2 1.0 ! C.96 at 3.82e+06 assign (segid b and resid 24 and name HN ) (segid b and resid 27 and name HN ) 4.0 2.2 1.0 ! A.139 at 1.13e+06 assign (segid b and resid 24 and name HA ) (segid b and resid 27 and name HN ) 4.0 2.2 1.0 ! C.108 at 2.65e+06 assign (segid b and resid 24 and name HB# ) (segid b and resid 27 and name HA ) 4.0 2.2 2.5 ! D.778 at 3.17e+05 assign (segid b and resid 24 and name HA ) (segid b and resid 27 and name HA ) 4.0 2.2 2.0 ! D.574 at 2.65e+05 assign (segid b and ((resid 24 and name HA ) or (resid 23 and name HA ))) (segid b and resid 27 and name HG# ) 4.0 2.2 1.0 ! B.162 at 1.60e+06 assign (segid b and resid 24 and name HB# ) (segid b and resid 28 and name HE# ) 4.0 2.2 1.5 ! B.1490 at 2.05e+06 assign (segid b and resid 24 and name HB# ) (segid b and resid 28 and name HN ) 4.0 2.2 2.5 ! B.1485 at 8.08e+05 assign (segid b and resid 24 and name HA ) (segid b and resid 28 and name HN ) 4.0 2.2 2.0 ! C.428 at 1.48e+06 ! T25 assign (segid b and resid 25 and name HB ) (segid b and resid 25 and name HN ) 3.0 1.2 0.5 ! A.145 at 3.20e+06 assign (segid b and resid 25 and name HG2# ) (segid b and resid 25 and name HA ) 2.5 0.7 0.7 ! B.833 at 2.02e+07 assign (segid b and resid 25 and name HG2# ) (segid b and resid 25 and name HN ) 3.0 1.2 1.0 ! C.98 at 5.07e+06 assign (segid b and resid 25 and name HG2# ) (segid b and ((resid 25 and name HN ) or (resid 31 and name HN ))) 3.0 1.2 1.0 ! B.824 at 5.21e+06 assign (segid b and resid 25 and name HG2# ) (segid b and resid 26 and name HN ) 4.0 2.2 1.5 ! A.155 at 8.82e+05 assign (segid b and resid 25 and name HB ) (segid b and resid 26 and name HN ) 4.0 2.2 1.0 ! A.560 at 1.42e+06 assign (segid b and resid 25 and name HB ) (segid b and resid 26 and name HA ) 4.0 2.2 1.0 ! B.1066 at 1.15e+06 assign (segid b and resid 25 and name HG2# ) (segid b and resid 26 and name HD# ) 4.0 2.2 2.5 ! B.1634 at 6.15e+05 assign (segid b and resid 25 and name HG2# ) (segid b and resid 26 and name HB# ) 4.0 2.2 1.5 ! B.828 at 1.45e+06 assign (segid b and resid 25 and name HG2# ) (segid b and resid 26 and name HA ) 4.0 2.2 1.5 ! B.559 at 1.20e+06 assign (segid b and resid 25 and name HG2# ) (segid b and ((resid 26 and name HA ) or (resid 28 and name HE# ))) 3.0 1.2 0.8 ! B.826 at 4.16e+06 assign (segid b and resid 25 and name HA ) (segid b and resid 26 and name HN ) 4.0 2.2 1.0 ! C.103 at 2.25e+06 assign (segid b and resid 25 and name HA ) (segid b and resid 28 and name HD# ) 4.0 2.2 1.0 ! B.999 at 1.99e+06 assign (segid b and resid 25 and name HA ) (segid b and resid 28 and name HN ) 4.0 2.2 1.0 ! B.1421 at 1.71e+06 assign (segid b and resid 25 and name HG2# ) (segid b and resid 28 and name HN ) 4.0 2.2 1.5 ! B.821 at 1.26e+06 assign (segid b and resid 25 and name HA ) (segid b and resid 29 and name HN ) 4.0 2.2 2.0 ! A.176 at 5.58e+05 assign (segid b and resid 25 and name HA ) (segid b and resid 29 and name HG2# ) 4.0 2.2 2.5 ! B.1551 at 8.84e+05 assign (segid b and resid 25 and name HG2# ) (segid b and resid 29 and name HG2# ) 3.0 1.2 1.3 ! B.876 at 8.05e+06 assign (segid b and resid 25 and name HG2# ) (segid b and resid 29 and name HG1# ) 3.0 1.2 1.3 ! B.831 at 3.99e+06 assign (segid b and resid 25 and name HG2# ) (segid b and resid 29 and name HA ) 4.0 2.2 2.5 ! B.832 at 8.45e+05 assign (segid b and resid 25 and name HG2# ) (segid b and resid 29 and name HN ) 4.0 2.2 1.5 ! C.121 at 2.00e+06 assign (segid b and resid 25 and name HG2# ) (segid b and resid 29 and name HG2# ) 3.0 1.2 1.3 ! D.403 at 2.22e+06 ! F26 assign (segid b and resid 26 and name HB# ) (segid b and resid 26 and name HN ) 3.0 1.2 0.5 ! A.153 at 2.32e+06 assign (segid b and resid 26 and name HD# ) (segid b and resid 26 and name HN ) 4.0 2.2 1.0 ! A.150 at 1.03e+06 assign (segid b and resid 26 and name HD# ) (segid b and resid 26 and name HB# ) 4.0 2.2 2.0 ! B.1093 at -1.11e+06 assign (segid b and resid 26 and name HD# ) (segid b and resid 26 and name HA ) 4.0 2.2 1.0 ! B.1092 at -1.35e+06 assign (segid b and resid 26 and name HD# ) (segid b and resid 26 and name HZ ) 4.0 2.2 2.0 ! B.1089 at -9.94e+05 assign (segid b and resid 26 and name HN ) (segid b and resid 27 and name HN ) 4.0 2.2 1.0 ! A.149 at 1.11e+06 assign (segid b and resid 26 and name HB# ) (segid b and resid 27 and name HN ) 4.0 2.2 1.0 ! A.163 at 7.37e+05 assign (segid b and resid 26 and name HD# ) (segid b and resid 27 and name HN ) 4.0 2.2 1.0 ! A.166 at 9.39e+05 assign (segid b and resid 26 and name HD# ) (segid b and resid 27 and name HA ) 4.0 2.2 2.0 ! B.1631 at 5.71e+05 assign (segid b and resid 26 and name HA ) (segid b and resid 29 and name HN ) 4.0 2.2 1.0 ! A.178 at 9.54e+05 assign (segid b and resid 26 and name HA ) (segid b and resid 29 and name HB ) 4.0 2.2 1.0 ! B.1242 at 1.85e+06 assign (segid b and resid 26 and name HD# ) (segid b and resid 29 and name HG2# ) 4.0 2.2 2.5 ! B.1290 at -6.38e+05 assign (segid b and resid 26 and name HA ) (segid b and resid 29 and name HG2# ) 3.0 1.2 0.8 ! B.872 at 4.38e+06 assign (segid b and resid 26 and name HA ) (segid b and resid 29 and name HG1# ) 4.0 2.2 2.5 ! B.562 at 1.01e+06 assign (segid b and resid 26 and name HD# ) (segid b and resid 29 and name HG1# ) 4.0 2.2 2.5 ! B.1638 at 6.14e+05 assign (segid b and resid 26 and name HD# ) (segid b and resid 29 and name HN ) 4.0 2.2 2.0 ! C.124 at -1.42e+06 assign (segid b and resid 26 and name HD# ) (segid b and resid 30 and name HG1# ) 4.0 2.2 2.5 ! B.1094 at -1.11e+06 assign (segid b and resid 26 and name HD# ) (segid b and resid 30 and name HG2# ) 4.0 2.2 1.5 ! B.884 at 2.09e+06 assign (segid b and resid 26 and name HE# ) (segid b and resid 30 and name HG2# ) 3.0 1.2 0.8 ! B.883 at 7.80e+06 assign (segid b and resid 26 and name HZ ) (segid b and resid 30 and name HG1# ) 4.0 2.2 1.5 ! B.934 at -1.42e+06 assign (segid b and resid 26 and name HZ ) (segid b and resid 30 and name HG2# ) 4.0 2.2 1.5 ! B.935 at -1.63e+06 assign (segid b and resid 26 and name HB# ) (segid b and resid 30 and name HG1# ) 4.0 2.2 2.5 ! B.388 at -9.42e+05 assign (segid b and resid 26 and name HE# ) (segid b and resid 43 and name HZ2 ) 4.0 2.2 2.0 ! B.101 at 8.25e+05 assign (segid b and resid 26 and name HE# ) (segid b and resid 43 and name HH2 ) 4.0 2.2 2.0 ! B.570 at -5.96e+05 ! E27 assign (segid b and resid 27 and name HB# ) (segid b and resid 27 and name HN ) 4.0 2.2 1.0 ! B.1179 at 1.52e+06 assign (segid b and resid 27 and name HA ) (segid b and resid 27 and name HG# ) 4.0 2.2 1.0 ! B.95 at 2.49e+06 assign (segid b and resid 27 and name HG# ) (segid b and resid 27 and name HN ) 4.0 2.2 2.0 ! B.252 at -1.11e+06 assign (segid b and resid 27 and name HN ) (segid b and resid 28 and name HN ) 3.0 1.2 0.5 ! A.595 at 2.29e+06 assign (segid b and resid 27 and name HA ) (segid b and resid 28 and name HN ) 4.0 2.2 2.0 ! A.172 at 6.31e+05 assign (segid b and resid 27 and name HB# ) (segid b and resid 28 and name HN ) 4.0 2.2 1.0 ! B.1181 at 1.21e+06 assign (segid b and resid 27 and name HA ) (segid b and resid 30 and name HG1# ) 4.0 2.2 1.5 ! B.773 at 1.76e+06 assign (segid b and resid 27 and name HA ) (segid b and resid 30 and name HG2# ) 4.0 2.2 2.5 ! B.86 at 9.29e+05 assign (segid b and resid 27 and name HA ) (segid b and resid 43 and name HZ2 ) 4.0 2.2 1.0 ! B.96 at 1.75e+06 assign (segid b and resid 27 and name HB# ) (segid b and resid 43 and name HD1 ) 4.0 2.2 2.0 ! B.1180 at 1.07e+06 assign (segid b and resid 27 and name HB# ) (segid b and resid 43 and name HE1 ) 4.0 2.2 1.0 ! C.321 at 2.51e+06 assign (segid b and resid 27 and name HG# ) (segid b and resid 43 and name HE1 ) 4.0 2.2 2.0 ! B.1649 at -5.85e+05 assign (segid b and resid 27 and name HA ) (segid b and resid 43 and name HE1 ) 3.0 1.2 0.3 ! B.93 at 4.77e+06 assign (segid b and resid 27 and name HA ) (segid b and resid 43 and name HD1 ) 4.0 2.2 1.0 ! B.88 at 1.42e+06 ! K28 assign (segid b and resid 28 and name HG# ) (segid b and resid 28 and name HN ) 4.0 2.2 1.0 ! A.173 at 7.09e+05 assign (segid b and resid 28 and name HB# ) (segid b and resid 28 and name HE# ) 4.0 2.2 1.0 ! B.1285 at 1.54e+06 assign (segid b and resid 28 and name HB# ) (segid b and resid 28 and name HN ) 3.0 1.2 0.5 ! B.32 at 8.54e+06 assign (segid b and resid 28 and name HD# ) (segid b and resid 28 and name HN ) 4.0 2.2 1.0 ! B.1614 at 1.82e+06 assign (segid b and resid 28 and name HA ) (segid b and resid 28 and name HG# ) 4.0 2.2 1.0 ! B.413 at 2.82e+06 assign (segid b and resid 28 and name HG# ) (segid b and resid 28 and name HE# ) 4.0 2.2 1.0 ! D.210 at -6.96e+05 assign (segid b and resid 28 and name HA ) (segid b and resid 29 and name HN ) 4.0 2.2 1.0 ! A.175 at 9.70e+05 assign (segid b and resid 28 and name HN ) (segid b and resid 29 and name HN ) 3.0 1.2 0.5 ! A.570 at 2.74e+06 assign (segid b and resid 28 and name HB# ) (segid b and resid 29 and name HA ) 4.0 2.2 2.0 ! B.1286 at 7.56e+05 assign (segid b and resid 28 and name HB# ) (segid b and resid 29 and name HN ) 4.0 2.2 1.0 ! C.122 at -4.18e+06 assign (segid b and resid 28 and name HA ) (segid b and resid 31 and name HN ) 4.0 2.2 1.0 ! A.198 at 9.36e+05 assign (segid b and resid 28 and name HA ) (segid b and resid 31 and name HE# ) 4.0 2.2 2.0 ! B.748 at -1.13e+06 assign (segid b and resid 28 and name HA ) (segid b and resid 31 and name HB# ) 3.0 1.2 0.3 ! B.410 at 4.75e+06 assign (segid b and resid 28 and name HA ) (segid b and resid 32 and name HN ) 4.0 2.2 1.0 ! A.208 at 7.64e+05 assign (segid b and resid 28 and name HG# ) (segid b and resid 32 and name HA ) 4.0 2.2 2.0 ! B.415 at 5.36e+06 constraint loosened 2ce assign (segid b and resid 28 and name HG# ) (segid b and resid 32 and name HN ) 4.0 2.2 1.0 ! C.136 at 1.97e+06 ! V29 assign (segid b and resid 29 and name HG1# ) (segid b and resid 29 and name HN ) 4.0 2.2 1.5 ! A.182 at 1.67e+06 assign (segid b and resid 29 and name HG2# ) (segid b and resid 29 and name HN ) 3.0 1.2 1.0 ! A.181 at 4.60e+06 assign (segid b and resid 29 and name HB ) (segid b and resid 29 and name HN ) 3.0 1.2 0.5 ! B.1246 at 4.73e+06 assign (segid b and resid 29 and name HA ) (segid b and resid 29 and name HG2# ) 3.0 1.2 0.8 ! B.937 at 7.49e+06 assign (segid b and resid 29 and name HA ) (segid b and resid 29 and name HG1# ) 3.0 1.2 0.8 ! B.936 at 5.42e+06 assign (segid b and resid 29 and name HN ) (segid b and resid 30 and name HG2# ) 4.0 2.2 1.5 ! A.183 at 8.15e+05 assign (segid b and resid 29 and name HN ) (segid b and resid 30 and name HN ) 4.0 2.2 1.0 ! A.184 at 1.75e+06 assign (segid b and resid 29 and name HA ) (segid b and resid 30 and name HN ) 4.0 2.2 2.0 ! A.187 at 5.36e+05 assign (segid b and resid 29 and name HG1# ) (segid b and resid 30 and name HN ) 4.0 2.2 1.5 ! A.193 at 1.09e+06 assign (segid b and resid 29 and name HB ) (segid b and resid 30 and name HN ) 4.0 2.2 1.0 ! B.1247 at 2.01e+06 assign (segid b and resid 29 and name HB ) (segid b and resid 30 and name HG2# ) 4.0 2.2 1.5 ! B.1245 at 1.28e+06 assign (segid b and resid 29 and name HG1# ) (segid b and resid 30 and name HA ) 4.0 2.2 1.5 ! B.959 at 2.16e+06 assign (segid b and resid 29 and name HA ) (segid b and resid 30 and name HG2# ) 4.0 2.2 2.5 ! B.1640 at 5.09e+05 assign (segid b and resid 29 and name HG2# ) (segid b and resid 30 and name HG2# ) 4.0 2.2 2.0 ! B.878 at 3.08e+06 assign (segid b and resid 29 and name HG2# ) (segid b and resid 30 and name HA ) 4.0 2.2 2.5 ! B.871 at 1.07e+06 assign (segid b and resid 29 and name HG2# ) (segid b and resid 30 and name HN ) 4.0 2.2 1.5 ! B.864 at 2.23e+06 assign (segid b and resid 29 and name HG1# ) (segid b and resid 30 and name HG2# ) 4.0 2.2 2.0 ! D.242 at 8.78e+05 assign (segid b and resid 29 and name HA ) (segid b and resid 32 and name HN ) 4.0 2.2 1.0 ! A.211 at 9.94e+05 assign (segid b and resid 29 and name HA ) (segid b and resid 32 and name HB# ) 4.0 2.2 1.0 ! B.1108 at 2.15e+06 assign (segid b and resid 29 and name HA ) (segid b and resid 32 and name HG# ) 4.0 2.2 1.0 ! B.940 at 1.21e+06 assign (segid b and resid 29 and name HG2# ) (segid b and resid 32 and name HG# ) 4.0 2.2 2.5 ! B.874 at 6.38e+05 assign (segid b and resid 29 and name HG2# ) (segid b and resid 32 and name HB# ) 4.0 2.2 2.5 ! D.791 at 3.01e+05 assign (segid b and resid 29 and name HA ) (segid b and resid 33 and name HN ) 4.0 2.2 1.0 ! A.223 at 7.52e+05 assign (segid b and resid 29 and name HG1# ) (segid b and resid 33 and name HN ) 4.0 2.2 2.5 ! A.224 at 3.96e+05 assign (segid b and resid 29 and name HG1# ) (segid b and resid 33 and name HB# ) 3.0 1.2 0.8 ! B.508 at 4.23e+06 assign (segid b and resid 29 and name HG1# ) (segid b and ((resid 33 and name HD# ) or (resid 34 and name HD# ))) 3.0 1.2 0.8 ! B.511 at 3.70e+06 assign (segid b and resid 29 and name HG1# ) (segid b and resid 33 and name HA ) 4.0 2.2 2.5 ! B.515 at 7.34e+05 ! V30 assign (segid b and resid 30 and name HB ) (segid b and resid 30 and name HN ) 3.0 1.2 0.5 ! A.189 at 2.60e+06 assign (segid b and resid 30 and name HG2# ) (segid b and resid 30 and name HN ) 3.0 1.2 1.0 ! A.194 at 3.15e+06 assign (segid b and resid 30 and name HG1# ) (segid b and resid 30 and name HN ) 4.0 2.2 1.5 ! A.192 at 1.36e+06 assign (segid b and resid 30 and name HA ) (segid b and resid 30 and name HG1# ) 3.0 1.2 0.8 ! B.957 at 5.12e+06 assign (segid b and resid 30 and name HA ) (segid b and resid 30 and name HG2# ) 3.0 1.2 0.8 ! B.958 at 6.41e+06 assign (segid b and resid 30 and name HG2# ) (segid b and resid 31 and name HN ) 4.0 2.2 2.5 ! A.205 at 4.35e+05 assign (segid b and resid 30 and name HN ) (segid b and resid 31 and name HN ) 4.0 2.2 1.0 ! A.196 at 9.33e+05 assign (segid b and resid 30 and name HG1# ) (segid b and resid 31 and name HN ) 4.0 2.2 1.5 ! A.204 at 6.99e+05 assign (segid b and resid 30 and name HG1# ) (segid b and resid 31 and name HA ) 4.0 2.2 2.5 ! B.775 at 9.25e+05 assign (segid b and resid 30 and name HA ) (segid b and resid 32 and name HN ) 4.0 2.2 2.0 ! A.212 at 3.70e+05 assign (segid b and resid 30 and name HN ) (segid b and resid 32 and name HN ) 4.0 2.2 2.0 ! A.207 at 4.37e+05 !assign (segid b and resid 30 and name HA ) (segid b and resid 32 and name HE2# ) 4.0 2.2 2.0 ! C.540 at 1.23e+06 assign (segid b and resid 30 and name HA ) (segid b and resid 33 and name HN ) 3.0 1.2 0.5 ! A.572 at 1.81e+06 assign (segid b and resid 30 and name HG1# ) (segid b and resid 33 and name HE# ) 4.0 2.2 2.5 ! B.1071 at -3.66e+06 constraint loosened 2ce assign (segid b and resid 30 and name HA ) (segid b and resid 33 and name HB# ) 3.0 1.2 0.3 ! B.955 at 3.74e+06 assign (segid b and resid 30 and name HA ) (segid b and resid 34 and name HN ) 4.0 2.2 2.0 ! A.616 at 5.06e+05 assign (segid b and resid 30 and name HG1# ) (segid b and resid 34 and name HN ) 4.0 2.2 2.5 ! A.625 at 4.71e+05 assign (segid b and resid 30 and name HB ) (segid b and resid 43 and name HZ2 ) 3.0 1.2 0.3 ! B.1262 at 3.92e+06 assign (segid b and resid 30 and name HG2# ) (segid b and resid 43 and name HZ2 ) 3.0 1.2 0.8 ! B.97 at 3.16e+06 assign (segid b and resid 30 and name HG1# ) (segid b and resid 43 and name HZ2 ) 3.0 1.2 0.8 ! B.98 at 3.87e+06 assign (segid b and resid 30 and name HG2# ) (segid b and resid 43 and name HH2 ) 4.0 2.2 2.5 ! B.573 at -5.18e+05 assign (segid b and resid 30 and name HG1# ) (segid b and resid 43 and name HH2 ) 4.0 2.2 2.5 ! B.572 at -9.08e+05 assign (segid b and resid 30 and name HG2# ) (segid b and resid 43 and name HE1 ) 4.0 2.2 1.5 ! C.355 at 1.68e+06 assign (segid b and resid 30 and name HG1# ) (segid b and resid 43 and name HE1 ) 4.0 2.2 2.5 ! A.439 at 6.24e+05 assign (segid b and resid 30 and name HB ) (segid b and resid 43 and name HE1 ) 4.0 2.2 1.0 ! C.319 at 1.79e+06 assign (segid b and resid 30 and name HN ) (segid b and resid 43 and name HZ2 ) 4.0 2.2 2.0 ! C.131 at 1.42e+06 ! K31 assign (segid b and resid 31 and name HG# ) (segid b and resid 31 and name HA ) 3.0 1.2 0.3 ! B.1005 at 3.46e+06 assign (segid b and resid 31 and name HA ) (segid b and resid 31 and name HD# ) 4.0 2.2 1.0 ! B.482 at 5.71e+06 constraint loosened assign (segid b and resid 31 and name HB# ) (segid b and resid 31 and name HE# ) 4.0 2.2 2.0 ! B.227 at -7.84e+05 assign (segid b and resid 31 and name HE# ) (segid b and resid 31 and name HA ) 4.0 2.2 2.0 ! D.203 at -3.04e+05 assign (segid b and resid 31 and name HA ) (segid b and resid 32 and name HN ) 4.0 2.2 1.0 ! A.210 at 9.62e+05 assign (segid b and resid 31 and name HB# ) (segid b and resid 32 and name HN ) 4.0 2.2 1.0 ! B.225 at -1.50e+06 assign (segid b and resid 31 and name HA ) (segid b and resid 34 and name HN ) 4.0 2.2 2.0 ! A.228 at 5.42e+05 assign (segid b and resid 31 and name HA ) (segid b and resid 34 and name HB# ) 4.0 2.2 1.0 ! B.485 at 1.39e+06 assign (segid b and resid 31 and name HA ) (segid b and resid 35 and name HN ) 4.0 2.2 2.0 ! A.237 at 4.50e+05 assign (segid b and resid 31 and name HE# ) (segid b and resid 35 and name HN ) 4.0 2.2 2.0 ! B.756 at -9.46e+05 assign (segid b and resid 31 and name HG# ) (segid b and resid 35 and name HD2# ) 4.0 2.2 1.0 ! C.308 at 1.67e+06 assign (segid b and resid 31 and name HE# ) (segid b and resid 35 and name HD2# ) 4.0 2.2 1.0 ! C.302 at -2.18e+06 assign (segid b and resid 31 and name HE# ) (segid b and resid 41 and name HN ) 4.0 2.2 2.0 ! A.290 at 3.87e+05 assign (segid b and resid 31 and name HE# ) (segid b and resid 42 and name HA ) 4.0 2.2 1.0 ! B.749 at -2.60e+06 assign (segid b and resid 31 and name HN ) (segid b and resid 43 and name HE1 ) 4.0 2.2 1.0 ! A.426 at 9.13e+05 assign (segid b and resid 31 and name HN ) (segid b and resid 43 and name HZ2 ) 4.0 2.2 2.0 ! A.197 at 5.84e+05 assign (segid b and resid 31 and name HE# ) (segid b and resid 43 and name HD1 ) 4.0 2.2 2.0 ! B.1333 at -6.23e+05 assign (segid b and resid 31 and name HB# ) (segid b and resid 43 and name HE1 ) 4.0 2.2 1.0 ! C.322 at -1.71e+06 assign (segid b and resid 31 and name HE# ) (segid b and resid 43 and name HN ) 4.0 2.2 2.5 ! C.210 at -1.55e+06 ! Q32 assign (segid b and resid 32 and name HA ) (segid b and ((resid 29 and name HA ) or (resid 34 and name HA ))) 4.0 2.2 2.0 ! B.1592 at 1.03e+06 assign (segid b and resid 32 and name HA ) (segid b and ((resid 29 and name HB ) or (resid 31 and name HG# ) or (resid 28 and name HG# ))) 4.0 2.2 2.0 ! B.371 at 1.09e+06 assign (segid b and resid 32 and name HG# ) (segid b and resid 32 and name HN ) 4.0 2.2 1.0 ! A.213 at 1.54e+06 assign (segid b and resid 32 and name HB# ) (segid b and resid 32 and name HE2# ) 4.0 2.2 1.0 ! C.290 at 2.19e+06 assign (segid b and resid 32 and name HG# ) (segid b and resid 32 and name HE2# ) 2.5 0.7 0.2 ! C.288 at -1.84e+07 assign (segid b and resid 32 and name HA ) (segid b and resid 32 and name HE2# ) 4.0 2.2 1.0 ! C.295 at 2.58e+06 assign (segid b and resid 32 and name HB# ) (segid b and resid 32 and name HN ) 3.0 1.2 0.5 ! B.1102 at 5.32e+06 assign (segid b and resid 32 and name HA ) (segid b and resid 32 and name HG# ) 3.0 1.2 0.3 ! B.369 at 6.90e+06 assign (segid b and resid 32 and name HG# ) (segid b and resid 33 and name HN ) 4.0 2.2 1.0 ! A.532 at 6.40e+05 assign (segid b and resid 32 and name HA ) (segid b and resid 33 and name HN ) 4.0 2.2 1.0 ! A.222 at 7.54e+05 assign (segid b and resid 32 and name HN ) (segid b and resid 33 and name HN ) 3.0 1.2 0.5 ! A.217 at 1.91e+06 assign (segid b and resid 32 and name HG# ) (segid b and resid 33 and name HA ) 4.0 2.2 2.0 ! B.127 at -7.73e+05 assign (segid b and resid 32 and name HB# ) (segid b and resid 33 and name HN ) 3.0 1.2 0.5 ! C.141 at 4.67e+06 assign (segid b and resid 32 and name HA ) (segid b and resid 35 and name HN ) 4.0 2.2 1.0 ! A.235 at 1.62e+06 assign (segid b and resid 32 and name HN ) (segid b and resid 35 and name HB# ) 4.0 2.2 2.0 ! A.596 at 3.66e+05 assign (segid b and resid 32 and name HE2# ) (segid b and resid 35 and name HB# ) 4.0 2.2 2.0 ! A.469 at 6.33e+05 assign (segid b and resid 32 and name HB# ) (segid b and resid 35 and name HB# ) 4.0 2.2 2.0 ! B.1109 at 8.71e+05 assign (segid b and resid 32 and name HA ) (segid b and resid 35 and name HB# ) 2.5 0.7 0.2 ! B.82 at -1.08e+07 assign (segid b and resid 32 and name HA ) (segid b and resid 35 and name HA ) 4.0 2.2 2.0 ! B.367 at 9.04e+05 assign (segid b and resid 32 and name HG# ) (segid b and resid 35 and name HB# ) 4.0 2.2 1.0 ! B.132 at -2.01e+06 assign (segid b and resid 32 and name HA ) (segid b and resid 36 and name HN ) 4.0 2.2 1.0 ! A.245 at 9.42e+05 assign (segid b and resid 32 and name HG# ) (segid b and resid 36 and name HN ) 4.0 2.2 2.0 ! A.249 at 6.32e+05 ! F33 assign (segid b and resid 33 and name HD# ) (segid b and resid 33 and name HN ) 4.0 2.2 1.0 ! A.219 at 1.46e+06 assign (segid b and resid 33 and name HB# ) (segid b and resid 33 and name HN ) 2.5 0.7 0.4 ! A.220 at 5.82e+06 assign (segid b and resid 33 and name HD# ) (segid b and resid 33 and name HB# ) 3.0 1.2 0.3 ! B.1121 at -3.35e+06 assign (segid b and resid 33 and name HD# ) (segid b and resid 33 and name HA ) 4.0 2.2 1.0 ! B.1122 at -1.33e+06 assign (segid b and resid 33 and name HN ) (segid b and resid 34 and name HN ) 3.0 1.2 0.5 ! A.218 at 2.37e+06 assign (segid b and resid 33 and name HA ) (segid b and resid 34 and name HN ) 4.0 2.2 1.0 ! A.227 at 7.02e+05 assign (segid b and resid 33 and name HB# ) (segid b and resid 34 and name HN ) 4.0 2.2 1.0 ! B.359 at -1.55e+06 assign (segid b and resid 33 and name HN ) (segid b and resid 35 and name HN ) 4.0 2.2 2.0 ! A.578 at 3.33e+05 assign (segid b and resid 33 and name HA ) (segid b and resid 36 and name HB# ) 4.0 2.2 1.0 ! B.496 at 1.97e+06 assign (segid b and resid 33 and name HA ) (segid b and resid 36 and name HN ) 4.0 2.2 2.0 ! B.502 at 8.80e+05 assign (segid b and resid 33 and name HA ) (segid b and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.483 at 3.32e+05 ! F34 assign (segid b and resid 34 and name HD# ) (segid b and resid 34 and name HA ) 4.0 2.2 1.0 ! B.1125 at -1.99e+06 assign (segid b and resid 34 and name HD# ) (segid b and resid 34 and name HB# ) 4.0 2.2 1.0 ! B.1097 at -1.66e+06 assign (segid b and resid 34 and name HZ ) (segid b and resid 34 and name HB# ) 4.0 2.2 2.0 ! B.981 at -5.19e+05 !assign (segid b and resid 34 and name HZ ) (segid b and resid 34 and name HD# ) 3.0 1.2 0.3 ! B.980 at -7.58e+06 covalent assign (segid b and resid 34 and name HB# ) (segid b and resid 34 and name HN ) 4.0 2.2 1.0 ! C.146 at -2.64e+06 assign (segid b and resid 34 and name HD# ) (segid b and resid 34 and name HN ) 4.0 2.2 1.0 ! C.445 at -3.34e+06 assign (segid b and resid 34 and name HA ) (segid b and resid 35 and name HN ) 4.0 2.2 1.0 ! A.236 at 8.55e+05 assign (segid b and resid 34 and name HB# ) (segid b and resid 35 and name HN ) 4.0 2.2 1.0 ! A.238 at 1.66e+06 assign (segid b and resid 34 and name HN ) (segid b and resid 35 and name HB# ) 4.0 2.2 2.0 ! A.588 at 4.20e+05 assign (segid b and resid 34 and name HN ) (segid b and resid 35 and name HN ) 3.0 1.2 0.5 ! A.225 at 2.10e+06 assign (segid b and resid 34 and name HD# ) (segid b and resid 37 and name HN ) 4.0 2.2 2.0 ! A.121 at 3.11e+05 assign (segid b and resid 34 and name HA ) (segid b and resid 37 and name HN ) 4.0 2.2 1.0 ! A.125 at 1.04e+06 assign (segid b and resid 34 and name HA ) (segid b and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.484 at 3.52e+05 assign (segid b and resid 34 and name HZ ) (segid b and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.476 at 4.15e+05 assign (segid b and resid 34 and name HA ) (segid b and resid 37 and name HB# ) 4.0 2.2 1.0 ! B.521 at -1.36e+06 assign (segid b and resid 34 and name HA ) (segid b and resid 38 and name HN ) 4.0 2.2 2.0 ! A.261 at 4.63e+05 assign (segid b and resid 34 and name HA ) (segid b and resid 39 and name HN ) 4.0 2.2 2.0 ! A.273 at 5.84e+05 assign (segid b and resid 34 and name HA ) (segid b and resid 39 and name HB ) 4.0 2.2 1.0 ! B.855 at 2.03e+06 assign (segid b and resid 34 and name HA ) (segid b and resid 39 and name HG2# ) 4.0 2.2 1.5 ! B.851 at 1.74e+06 assign (segid b and resid 34 and name HD# ) (segid b and resid 39 and name HG1# ) 4.0 2.2 1.5 ! B.836 at 7.19e+06 constraint loosened assign (segid b and resid 34 and name HA ) (segid b and resid 39 and name HG1# ) 4.0 2.2 2.5 ! B.844 at 9.10e+05 assign (segid b and resid 34 and name HB# ) (segid b and resid 39 and name HG2# ) 4.0 2.2 1.5 ! B.691 at 2.57e+06 assign (segid b and resid 34 and name HB# ) (segid b and resid 39 and name HG1# ) 4.0 2.2 2.5 ! D.425 at -2.87e+05 assign (segid b and resid 34 and name HB# ) (segid b and resid 39 and name HB ) 4.0 2.2 1.0 ! B.144 at -1.80e+06 assign (segid b and ((resid 34 and name HD# ) or (resid 33 and name HD# ))) (segid b and resid 39 and name HB ) 4.0 2.2 1.0 ! B.148 at -3.04e+06 ! N35 assign (segid b and resid 35 and name HD2# ) (segid b and resid 35 and name HN ) 4.0 2.2 1.0 ! A.233 at 6.42e+05 assign (segid b and resid 35 and name HB# ) (segid b and resid 35 and name HN ) 2.5 0.7 0.4 ! A.239 at 5.80e+06 assign (segid b and resid 35 and name HB# ) (segid b and resid 35 and name HD2# ) 3.0 1.2 0.3 ! C.298 at -4.64e+06 assign (segid b and resid 35 and name HA ) (segid b and resid 35 and name HD2# ) 2.5 0.7 0.2 ! C.297 at 1.33e+07 assign (segid b and resid 35 and name HB# ) (segid b and resid 36 and name HN ) 3.0 1.2 0.5 ! A.246 at 3.82e+06 assign (segid b and resid 35 and name HA ) (segid b and resid 39 and name HN ) 4.0 2.2 1.0 ! A.269 at 2.49e+06 lowered assign (segid b and resid 35 and name HB# ) (segid b and resid 39 and name HN ) 4.0 2.2 2.0 ! C.180 at -1.61e+06 assign (segid b and resid 35 and name HD2# ) (segid b and resid 40 and name HA ) 3.0 1.2 0.3 ! A.492 at 2.17e+06 assign (segid b and resid 35 and name HA ) (segid b and resid 40 and name HA ) 4.0 2.2 1.0 ! B.1571 at 1.21e+06 assign (segid b and ((resid 35 and name HA ) or (resid 42 and name HA ))) (segid b and resid 40 and name HA ) 4.0 2.2 2.0 ! B.1275 at -1.08e+06 assign (segid b and resid 35 and name HD2# ) (segid b and resid 40 and name HB# ) 4.0 2.2 1.0 ! C.296 at -2.03e+06 ! D36 assign (segid b and resid 36 and name HB# ) (segid b and resid 36 and name HN ) 3.0 1.2 0.5 ! A.248 at 3.17e+06 assign (segid b and resid 36 and name HN ) (segid b and resid 37 and name HN ) 3.0 1.2 0.5 ! A.242 at 2.62e+06 assign (segid b and resid 36 and name HA ) (segid b and resid 37 and name HN ) 4.0 2.2 1.0 ! A.124 at 1.07e+06 assign (segid b and resid 36 and name HB# ) (segid b and resid 37 and name HN ) 4.0 2.2 1.0 ! A.575 at 7.97e+05 assign (segid b and resid 36 and name HB# ) (segid b and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.488 at 3.07e+05 ! N37 assign (segid b and resid 37 and name HD2# ) (segid b and resid 37 and name HN ) 4.0 2.2 2.0 ! A.122 at 6.36e+05 assign (segid b and resid 37 and name HB# ) (segid b and resid 37 and name HD2# ) 4.0 2.2 1.0 ! A.489 at 1.18e+06 assign (segid b and resid 37 and name HB# ) (segid b and resid 37 and name HN ) 4.0 2.2 1.0 ! B.530 at -2.75e+06 assign (segid b and resid 37 and name HA ) (segid b and resid 37 and name HD2# ) 4.0 2.2 2.0 ! C.312 at 1.56e+06 assign (segid b and resid 37 and name HN ) (segid b and resid 38 and name HN ) 3.0 1.2 0.5 ! A.118 at 3.26e+06 assign (segid b and resid 37 and name HN ) (segid b and resid 38 and name HA# ) 4.0 2.2 2.0 ! A.617 at 3.45e+05 assign (segid b and resid 37 and name HB# ) (segid b and resid 38 and name HN ) 4.0 2.2 2.0 ! A.263 at 4.96e+05 assign (segid b and resid 37 and name HA ) (segid b and resid 38 and name HN ) 4.0 2.2 1.0 ! A.579 at 1.29e+06 assign (segid b and resid 37 and name HN ) (segid b and resid 39 and name HN ) 4.0 2.2 1.0 ! A.267 at 9.48e+05 assign (segid b and resid 37 and name HN ) (segid b and resid 39 and name HG2# ) 4.0 2.2 2.5 ! A.254 at 4.16e+05 assign (segid b and resid 37 and name HD2# ) (segid b and resid 39 and name HA ) 4.0 2.2 2.0 ! C.311 at 1.47e+06 assign (segid b and resid 37 and name HB# ) (segid b and resid 39 and name HG2# ) 4.0 2.2 2.5 ! E.894 at -4.28e+05 assign (segid b and ((resid 37 and name HN ) or (resid 35 and name HD2# ))) (segid b and resid 40 and name HB# ) 4.0 2.2 2.0 ! B.808 at -9.78e+05 ! G38 assign (segid b and resid 38 and name HA# ) (segid b and resid 39 and name HN ) 4.0 2.2 1.0 ! A.272 at 1.40e+06 assign (segid b and resid 38 and name HN ) (segid b and resid 39 and name HN ) 3.0 1.2 0.5 ! A.266 at 3.12e+06 assign (segid b and resid 38 and name HN ) (segid b and resid 39 and name HA ) 4.0 2.2 2.0 ! A.598 at 5.38e+05 assign (segid b and resid 38 and name HN ) (segid b and resid 39 and name HG2# ) 4.0 2.2 2.5 ! A.264 at 4.99e+05 ! V39 assign (segid b and resid 39 and name HB ) (segid b and resid 39 and name HN ) 3.0 1.2 0.5 ! A.275 at 3.76e+06 assign (segid b and resid 39 and name HG2# ) (segid b and resid 39 and name HN ) 3.0 1.2 1.0 ! A.276 at 4.04e+06 assign (segid b and resid 39 and name HG1# ) (segid b and resid 39 and name HA ) 2.5 0.7 0.7 ! B.837 at 1.02e+07 assign (segid b and resid 39 and name HG1# ) (segid b and resid 39 and name HN ) 4.0 2.2 1.5 ! B.846 at 2.73e+06 assign (segid b and resid 39 and name HA ) (segid b and resid 39 and name HG2# ) 3.0 1.2 0.8 ! B.1467 at 9.24e+06 assign (segid b and resid 39 and name HA ) (segid b and resid 40 and name HN ) 2.5 0.7 0.4 ! A.278 at 5.27e+06 assign (segid b and resid 39 and name HA ) (segid b and resid 40 and name HA ) 4.0 2.2 1.0 ! B.1274 at -1.21e+06 assign (segid b and resid 39 and name HN ) (segid b and resid 40 and name HN ) 4.0 2.2 2.0 ! A.265 at 5.04e+05 assign (segid b and resid 39 and name HG1# ) (segid b and resid 40 and name HN ) 3.0 1.2 1.0 ! B.848 at 6.80e+06 assign (segid b and resid 39 and name HG2# ) (segid b and resid 40 and name HB# ) 4.0 2.2 2.5 ! B.817 at -8.59e+05 assign (segid b and resid 39 and name HA ) (segid b and resid 40 and name HB# ) 4.0 2.2 1.0 ! B.814 at -1.53e+06 assign (segid b and resid 39 and name HG1# ) (segid b and resid 40 and name HA ) 4.0 2.2 2.5 ! B.1624 at 6.69e+05 assign (segid b and resid 39 and name HB ) (segid b and resid 40 and name HN ) 4.0 2.2 2.0 ! B.150 at -7.43e+05 assign (segid b and resid 39 and name HG2# ) (segid b and resid 40 and name HN ) 3.0 1.2 1.0 ! C.185 at 6.19e+06 ! D40 assign (segid b and resid 40 and name HB# ) (segid b and resid 40 and name HN ) 3.0 1.2 0.5 ! A.279 at 1.84e+06 assign (segid b and resid 40 and name HA ) (segid b and resid 41 and name HN ) 2.5 0.7 0.4 ! A.286 at 7.94e+06 assign (segid b and resid 40 and name HB# ) (segid b and resid 41 and name HN ) 4.0 2.2 1.0 ! A.291 at 1.46e+06 assign (segid b and resid 40 and name HN ) (segid b and resid 41 and name HN ) 4.0 2.2 2.0 ! A.282 at 4.56e+05 assign (segid b and resid 40 and name HA ) (segid b and resid 41 and name HA# ) 4.0 2.2 2.0 ! B.1273 at -1.09e+06 assign (segid b and resid 40 and name HB# ) (segid b and resid 41 and name HA# ) 4.0 2.2 2.0 ! B.1670 at -6.06e+05 ! G41 assign (segid b and resid 41 and name HA# ) (segid b and resid 42 and name HN ) 3.0 1.2 0.5 ! A.300 at 4.09e+06 assign (segid b and resid 41 and name HN ) (segid b and resid 42 and name HN ) 4.0 2.2 1.0 ! A.296 at 8.36e+05 ! E42 assign (segid b and resid 42 and name HB# ) (segid b and resid 42 and name HN ) 4.0 2.2 1.0 ! B.121 at -1.76e+06 assign (segid b and resid 42 and name HA ) (segid b and resid 42 and name HG# ) 4.0 2.2 1.0 ! B.1345 at 2.25e+06 assign (segid b and resid 42 and name HG# ) (segid b and resid 42 and name HN ) 4.0 2.2 1.0 ! C.201 at -2.41e+06 assign (segid b and resid 42 and name HB# ) (segid b and resid 43 and name HN ) 4.0 2.2 1.0 ! A.317 at 1.77e+06 assign (segid b and resid 42 and name HA ) (segid b and resid 43 and name HN ) 2.5 0.7 0.4 ! A.312 at 7.13e+06 assign (segid b and resid 42 and name HN ) (segid b and resid 43 and name HN ) 4.0 2.2 2.0 ! A.308 at 3.90e+05 assign (segid b and resid 42 and name HA ) (segid b and resid 43 and name HD1 ) 4.0 2.2 1.0 ! B.22 at 1.20e+06 assign (segid b and resid 42 and name HG# ) (segid b and resid 43 and name HN ) 4.0 2.2 2.0 ! B.186 at -1.14e+06 assign (segid b and resid 42 and name HA ) (segid b and resid 43 and name HB# ) 4.0 2.2 2.0 ! B.1298 at 5.76e+05 assign (segid b and resid 42 and name HB# ) (segid b and resid 44 and name HG2# ) 4.0 2.2 1.5 ! B.116 at -1.74e+06 ! W43 !assign (segid b and resid 43 and name HH2 ) (segid b and resid 43 and name HE1 ) 4.0 2.2 2.0 ! A.535 at 3.72e+05 !assign (segid b and resid 43 and name HD1 ) (segid b and resid 43 and name HN ) 3.0 1.2 0.5 ! A.307 at 2.39e+06 !assign (segid b and resid 43 and name HB# ) (segid b and resid 43 and name HN ) 4.0 2.2 1.0 ! A.314 at 1.76e+06 !assign (segid b and resid 43 and name HB# ) (segid b and resid 43 and name HD1 ) 4.0 2.2 1.0 ! B.1184 at 1.54e+06 !assign (segid b and resid 43 and name HZ3 ) (segid b and resid 43 and name HH2 ) 4.0 2.2 1.0 ! B.613 at -1.94e+06 !assign (segid b and resid 43 and name HE3 ) (segid b and resid 43 and name HB# ) 4.0 2.2 1.0 ! B.397 at -1.15e+06 !assign (segid b and resid 43 and name HE3 ) (segid b and resid 43 and name HA ) 4.0 2.2 1.0 ! B.352 at -1.31e+06 assign (segid b and resid 43 and name HN ) (segid b and resid 44 and name HN ) 4.0 2.2 2.0 ! A.305 at 4.45e+05 assign (segid b and resid 43 and name HE3 ) (segid b and resid 44 and name HN ) 4.0 2.2 1.0 ! A.322 at 9.25e+05 assign (segid b and resid 43 and name HA ) (segid b and resid 44 and name HN ) 2.5 0.7 0.4 ! A.323 at 5.62e+06 assign (segid b and resid 43 and name HB# ) (segid b and resid 44 and name HN ) 4.0 2.2 2.0 ! A.328 at 4.82e+05 assign (segid b and resid 43 and name HA ) (segid b and resid 44 and name HB ) 4.0 2.2 2.0 ! B.1606 at 6.52e+05 assign (segid b and resid 43 and name HA ) (segid b and resid 44 and name HG2# ) 4.0 2.2 1.5 ! B.727 at 1.68e+06 assign (segid b and resid 43 and name HN ) (segid b and resid 44 and name HG2# ) 4.0 2.2 2.5 ! B.1503 at 6.50e+05 assign (segid b and resid 43 and name HA ) (segid b and resid 45 and name HN ) 4.0 2.2 2.0 ! C.450 at 1.34e+06 ! T44 assign (segid b and resid 44 and name HB ) (segid b and resid 44 and name HN ) 4.0 2.2 1.0 ! A.326 at 6.41e+05 assign (segid b and resid 44 and name HA ) (segid b and resid 44 and name HG2# ) 2.5 0.7 0.7 ! B.1040 at 1.08e+07 assign (segid b and resid 44 and name HG2# ) (segid b and resid 44 and name HN ) 4.0 2.2 1.5 ! C.218 at 4.47e+06 assign (segid b and resid 44 and name HG2# ) (segid b and resid 45 and name HN ) 3.0 1.2 1.0 ! A.336 at 1.99e+06 assign (segid b and resid 44 and name HB ) (segid b and resid 45 and name HN ) 3.0 1.2 0.5 ! A.600 at 2.88e+06 assign (segid b and resid 44 and name HN ) (segid b and resid 45 and name HN ) 4.0 2.2 2.0 ! A.320 at 4.77e+05 assign (segid b and resid 44 and name HB ) (segid b and resid 45 and name HD# ) 4.0 2.2 2.0 ! B.1500 at 6.33e+05 assign (segid b and resid 44 and name HB ) (segid b and resid 45 and name HB# ) 4.0 2.2 2.0 ! B.1498 at 9.99e+05 assign (segid b and resid 44 and name HG2# ) (segid b and resid 45 and name HD# ) 4.0 2.2 1.5 ! B.710 at 1.31e+06 assign (segid b and resid 44 and name HA ) (segid b and resid 45 and name HN ) 2.5 0.7 0.4 ! B.439 at 1.15e+07 assign (segid b and resid 44 and name HA ) (segid b and resid 45 and name HE# ) 4.0 2.2 2.0 ! D.168 at -2.88e+05 ! Y45 assign (segid b and resid 45 and name HB# ) (segid b and resid 45 and name HN ) 3.0 1.2 0.5 ! A.334 at 2.30e+06 assign (segid b and resid 45 and name HD# ) (segid b and resid 45 and name HN ) 4.0 2.2 1.0 ! A.332 at 1.45e+06 assign (segid b and resid 45 and name HD# ) (segid b and resid 45 and name HA ) 4.0 2.2 1.0 ! B.67 at -1.83e+06 assign (segid b and resid 45 and name HB# ) (segid b and resid 45 and name HD# ) 4.0 2.2 1.0 ! B.76 at -2.91e+06 assign (segid b and resid 45 and name HE# ) (segid b and resid 45 and name HB# ) 4.0 2.2 2.0 ! B.206 at -1.11e+06 assign (segid b and resid 45 and name HE# ) (segid b and resid 45 and name HN ) 4.0 2.2 2.0 ! B.214 at -9.00e+05 assign (segid b and resid 45 and name HE# ) (segid b and resid 45 and name HA ) 4.0 2.2 1.0 ! D.538 at -4.03e+05 assign (segid b and resid 45 and name HA ) (segid b and resid 46 and name HB# ) 4.0 2.2 2.0 ! B.447 at 8.59e+05 assign (segid b and resid 45 and name HA ) (segid b and resid 46 and name HN ) 3.0 1.2 0.5 ! C.224 at 1.31e+07 constraint loosened assign (segid b and resid 45 and name HB# ) (segid b and resid 46 and name HN ) 4.0 2.2 1.0 ! C.226 at -2.70e+06 ! D46 assign (segid b and resid 46 and name HB# ) (segid b and resid 46 and name HN ) 4.0 2.2 1.0 ! B.1294 at -2.75e+06 assign (segid b and resid 46 and name HA ) (segid b and resid 47 and name HN ) 2.5 0.7 0.4 ! A.351 at 8.31e+06 ! D47 assign (segid b and resid 47 and name HB# ) (segid b and resid 47 and name HN ) 2.5 0.7 0.4 ! C.232 at -1.54e+07 assign (segid b and resid 47 and name HA ) (segid b and resid 48 and name HN ) 2.5 0.7 0.4 ! A.357 at 1.00e+07 assign (segid b and resid 47 and name HN ) (segid b and resid 48 and name HN ) 4.0 2.2 2.0 ! A.355 at 5.75e+05 assign (segid b and resid 47 and name HB# ) (segid b and resid 48 and name HA ) 4.0 2.2 2.0 ! B.1481 at -5.93e+05 assign (segid b and resid 47 and name HB# ) (segid b and resid 48 and name HB# ) 4.0 2.2 1.5 ! B.1314 at 1.80e+06 assign (segid b and resid 47 and name HA ) (segid b and resid 48 and name HB# ) 4.0 2.2 1.5 ! B.548 at 5.84e+06 lowered assign (segid b and resid 47 and name HA ) (segid b and resid 48 and name HA ) 4.0 2.2 1.0 ! B.1598 at 2.33e+06 assign (segid b and resid 47 and name HB# ) (segid b and resid 48 and name HN ) 4.0 2.2 1.0 ! C.234 at -2.46e+06 ! A48 assign (segid b and resid 48 and name HB# ) (segid b and resid 48 and name HN ) 2.5 0.7 0.9 ! C.235 at 1.98e+07 assign (segid b and resid 48 and name HA ) (segid b and resid 49 and name HB ) 4.0 2.2 1.0 ! B.1236 at 1.45e+06 assign (segid b and resid 48 and name HB# ) (segid b and resid 49 and name HB ) 4.0 2.2 1.5 ! B.1343 at 1.30e+06 assign (segid b and resid 48 and name HB# ) (segid b and resid 49 and name HA ) 4.0 2.2 1.5 ! B.547 at 1.51e+06 assign (segid b and resid 48 and name HA ) (segid b and resid 49 and name HA ) 4.0 2.2 2.0 ! B.537 at 9.19e+05 assign (segid b and resid 48 and name HB# ) (segid b and resid 49 and name HN ) 2.5 0.7 0.9 ! C.236 at 1.53e+07 assign (segid b and resid 48 and name HA ) (segid b and resid 49 and name HN ) 3.0 1.2 0.5 ! C.25 at -2.34e+07 constaint loosened assign (segid b and resid 48 and name HB# ) (segid b and resid 50 and name HA ) 4.0 2.2 2.5 ! D.631 at 3.28e+05 ! T49 assign (segid b and resid 49 and name HA ) (segid b and resid 49 and name HG2# ) 3.0 1.2 0.8 ! B.532 at 4.86e+06 assign (segid b and resid 49 and name HB ) (segid b and resid 49 and name HN ) 4.0 2.2 1.0 ! C.24 at 6.35e+06 constraint loosened assign (segid b and resid 49 and name HB ) (segid b and resid 50 and name HN ) 4.0 2.2 1.0 ! B.1232 at 1.50e+06 assign (segid b and resid 49 and name HA ) (segid b and resid 50 and name HE# ) 4.0 2.2 1.0 ! B.535 at 2.73e+06 assign (segid b and resid 49 and name HA ) (segid b and resid 50 and name HN ) 3.0 1.2 0.5 ! B.539 at 7.55e+06 ! K50 assign (segid b and resid 50 and name HG# ) (segid b and resid 50 and name HN ) 4.0 2.2 2.0 ! A.348 at 5.85e+05 assign (segid b and resid 50 and name HD# ) (segid b and resid 50 and name HA ) 4.0 2.2 2.0 ! B.1472 at 7.87e+05 assign (segid b and resid 50 and name HG# ) (segid b and resid 50 and name HE# ) 4.0 2.2 1.0 ! B.1041 at 2.49e+06 assign (segid b and resid 50 and name HG# ) (segid b and resid 50 and name HA ) 4.0 2.2 1.0 ! B.1037 at 1.56e+06 assign (segid b and resid 50 and name HE# ) (segid b and resid 50 and name HN ) 4.0 2.2 2.0 ! B.646 at -5.39e+05 assign (segid b and resid 50 and name HB# ) (segid b and resid 50 and name HD# ) 4.0 2.2 2.0 ! D.444 at -3.36e+05 assign (segid b and resid 50 and name HG# ) (segid b and resid 51 and name HN ) 4.0 2.2 2.0 ! A.378 at 3.74e+05 assign (segid b and resid 50 and name HA ) (segid b and resid 51 and name HB ) 4.0 2.2 2.0 ! B.1168 at 1.04e+06 assign (segid b and resid 50 and name HA ) (segid b and resid 51 and name HN ) 3.0 1.2 0.5 ! B.156 at 4.83e+06 assign (segid b and resid 50 and name HB# ) (segid b and resid 51 and name HN ) 4.0 2.2 2.0 ! C.372 at -1.48e+06 ! T51 assign (segid b and resid 51 and name HG2# ) (segid b and resid 51 and name HA ) 2.5 0.7 0.7 ! B.784 at 1.04e+07 assign (segid b and resid 51 and name HB ) (segid b and resid 51 and name HN ) 3.0 1.2 0.5 ! C.481 at 4.65e+06 assign (segid b and resid 51 and name HA ) (segid b and resid 52 and name HN ) 2.5 0.7 0.4 ! A.383 at 5.33e+06 assign (segid b and resid 51 and name HN ) (segid b and resid 52 and name HN ) 4.0 2.2 2.0 ! A.368 at 3.17e+05 assign (segid b and resid 51 and name HB ) (segid b and resid 52 and name HN ) 4.0 2.2 1.0 ! B.1170 at 1.27e+06 assign (segid b and resid 51 and name HA ) (segid b and resid 52 and name HB# ) 4.0 2.2 2.0 ! B.464 at 6.38e+05 ! F52 assign (segid b and resid 52 and name HD# ) (segid b and resid 52 and name HN ) 4.0 2.2 1.0 ! A.384 at 8.36e+05 assign (segid b and resid 52 and name HB# ) (segid b and resid 52 and name HN ) 4.0 2.2 1.0 ! A.387 at 1.75e+06 assign (segid b and resid 52 and name HD# ) (segid b and resid 52 and name HB# ) 4.0 2.2 1.0 ! B.1086 at -2.30e+06 assign (segid b and resid 52 and name HD# ) (segid b and resid 52 and name HA ) 4.0 2.2 1.0 ! B.1084 at -1.80e+06 assign (segid b and resid 52 and name HD# ) (segid b and resid 52 and name HZ ) 4.0 2.2 2.0 ! B.1076 at -7.94e+05 assign (segid b and resid 52 and name HE# ) (segid b and resid 53 and name HN ) 4.0 2.2 2.0 ! A.576 at 3.18e+05 assign (segid b and resid 52 and name HB# ) (segid b and resid 53 and name HN ) 4.0 2.2 2.0 ! A.397 at 4.48e+05 assign (segid b and resid 52 and name HD# ) (segid b and resid 53 and name HN ) 4.0 2.2 1.0 ! A.393 at 1.11e+06 assign (segid b and resid 52 and name HA ) (segid b and resid 53 and name HN ) 3.0 1.2 0.5 ! B.394 at 3.71e+06 assign (segid b and resid 52 and name HE# ) (segid b and resid 54 and name HG2# ) 4.0 2.2 1.5 ! B.725 at 1.62e+06 assign (segid b and resid 52 and name HE# ) (segid b and resid 54 and name HA ) 4.0 2.2 2.0 ! B.1052 at -5.52e+05 assign (segid b and resid 52 and name HD# ) (segid b and resid 54 and name HG1# ) 4.0 2.2 1.5 ! B.724 at 1.24e+06 assign (segid b and resid 52 and name HD# ) (segid b and resid 54 and name HG2# ) 3.0 1.2 0.8 ! B.1325 at 3.46e+06 ! T53 assign (segid b and resid 53 and name HB ) (segid b and resid 53 and name HN ) 3.0 1.2 0.5 ! C.256 at 9.70e+06 assign (segid b and resid 53 and name HG2# ) (segid b and resid 53 and name HN ) 3.0 1.2 1.0 ! C.257 at 1.28e+07 assign (segid b and resid 53 and name HA ) (segid b and resid 54 and name HG2# ) 4.0 2.2 1.5 ! B.564 at 2.76e+06 assign (segid b and resid 53 and name HA ) (segid b and resid 54 and name HN ) 2.5 0.7 0.4 ! C.255 at 2.35e+07 ! V54 assign (segid b and resid 54 and name HA ) (segid b and resid 54 and name HG1# ) 3.0 1.2 0.8 ! B.631 at 5.62e+06 assign (segid b and resid 54 and name HB ) (segid b and resid 55 and name HN ) 3.0 1.2 0.5 ! A.412 at 1.82e+06 assign (segid b and resid 54 and name HG1# ) (segid b and resid 55 and name HN ) 3.0 1.2 1.0 ! C.264 at 7.25e+06 assign (segid b and resid 54 and name HA ) (segid b and resid 55 and name HN ) 2.5 0.7 0.4 ! C.262 at 2.06e+07 ! T55 assign (segid b and resid 55 and name HG2# ) (segid b and resid 55 and name HN ) 4.0 2.2 1.5 ! A.413 at 1.39e+06 assign (segid b and resid 55 and name HB ) (segid b and resid 55 and name HN ) 2.5 0.7 0.4 ! B.1133 at 1.02e+07 assign (segid b and resid 55 and name HB ) (segid b and resid 56 and name HN ) 4.0 2.2 1.0 ! A.420 at 1.57e+06 assign (segid b and resid 55 and name HN ) (segid b and resid 56 and name HN ) 4.0 2.2 1.0 ! A.416 at 1.16e+06 assign (segid b and resid 55 and name HG2# ) (segid b and resid 56 and name HN ) 3.0 1.2 1.0 ! B.1512 at 7.86e+06 assign (segid b and resid 55 and name HA ) (segid b and resid 56 and name HN ) 3.0 1.2 0.5 ! B.605 at 2.33e+07 constraint loosened assign (segid b and resid 55 and name HN ) (segid b and resid 56 and name HA ) 4.0 2.2 2.0 ! B.335 at 6.41e+05 ! E56 assign (segid b and resid 56 and name HB# ) (segid b and resid 56 and name HN ) 3.0 1.2 0.5 ! B.1251 at 3.47e+06 assign (segid b and resid 56 and name HG# ) (segid b and resid 56 and name HN ) 3.0 1.2 0.5 ! C.271 at -1.07e+07 assign (segid b and resid 56 and name HA ) (segid b and resid 56 and name HG# ) 3.0 1.2 0.3 ! D.284 at -1.85e+06 !@ END_XPLR_NOE_FILE ! pck2xplr.nawk Table; Input File: CC.PCK ! Date: Mon Aug 23 13:12:05 EDT 1999 ! Path: /net/kirsten1/sp2/hs124/N15noe_flip/noes/may13_8 ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A N15.PCK 241 49 107 45 40 ! B c13.PCK 357 83 84 82 108 ! C NC.PCK 89 23 23 15 28 ! D CC.PCK 62 17 5 11 29 ! Total 749 172 219 153 205 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! M1 assign (segid c and resid 1 and name HG# ) (segid c and resid 1 and name HA ) 4.0 2.2 1.0 ! B.1227 at 1.16e+06 assign (segid c and resid 1 and name HG# ) (segid c and resid 1 and name HE# ) 3.0 1.2 0.8 ! D.177 at 9.95e+05 assign (segid c and resid 1 and name HB# ) (segid c and resid 1 and name HE# ) 3.0 1.2 0.8 ! D.178 at 1.19e+06 assign (segid c and resid 1 and name HB# ) (segid c and resid 2 and name HN ) 4.0 2.2 2.0 ! B.31 at 7.19e+05 assign (segid c and resid 1 and name HE# ) (segid c and resid 2 and name HN ) 3.0 1.2 1.0 ! B.281 at 3.63e+06 assign (segid c and resid 1 and name HA ) (segid c and resid 2 and name HN ) 3.0 1.2 0.5 ! B.215 at 6.07e+06 assign (segid c and resid 1 and name HB# ) (segid c and resid 3 and name HE# ) 4.0 2.2 2.0 ! B.34 at 7.05e+05 assign (segid c and ((resid 1 and name HG# ) or (resid 2 and name HB# ))) (segid c and resid 3 and name HD# ) 4.0 2.2 2.0 ! B.1510 at 6.45e+05 assign (segid c and resid 1 and name HG# ) (segid c and resid 3 and name HE# ) 4.0 2.2 2.0 ! B.1224 at 7.50e+05 assign (segid c and resid 1 and name HE# ) (segid c and resid 3 and name HE# ) 4.0 2.2 1.5 ! B.278 at 2.26e+06 assign (segid c and resid 1 and name HE# ) (segid c and resid 3 and name HD# ) 4.0 2.2 2.5 ! B.1425 at 7.31e+05 ! Q2 assign (segid c and resid 2 and name HG# ) (segid c and resid 2 and name HE2# ) 4.0 2.2 1.0 ! B.195 at -1.35e+06 assign (segid c and resid 2 and name HG# ) (segid c and resid 2 and name HN ) 4.0 2.2 1.0 ! B.200 at -1.18e+06 assign (segid c and resid 2 and name HA ) (segid c and resid 2 and name HG# ) 4.0 2.2 2.0 ! D.645 at -3.51e+05 assign (segid c and resid 2 and name HB# ) (segid c and resid 3 and name HN ) 4.0 2.2 1.0 ! A.13 at 8.34e+05 assign (segid c and resid 2 and name HA ) (segid c and resid 3 and name HN ) 3.0 1.2 0.5 ! A.536 at 4.21e+06 assign (segid c and resid 2 and name HA ) (segid c and resid 3 and name HD# ) 4.0 2.2 2.0 ! B.56 at -5.07e+05 assign (segid c and resid 2 and name HG# ) (segid c and resid 3 and name HN ) 4.0 2.2 2.0 ! B.201 at -5.49e+05 assign (segid c and resid 2 and name HG# ) (segid c and resid 4 and name HN ) 4.0 2.2 1.0 ! C.31 at -2.30e+06 ! Y3 assign (segid c and resid 3 and name HB# ) (segid c and resid 3 and name HN ) 4.0 2.2 1.0 ! A.12 at 1.54e+06 assign (segid c and resid 3 and name HD# ) (segid c and resid 3 and name HN ) 4.0 2.2 1.0 ! A.8 at 1.64e+06 assign (segid c and resid 3 and name HD# ) (segid c and resid 3 and name HB# ) 4.0 2.2 1.0 ! B.55 at -2.64e+06 assign (segid c and resid 3 and name HD# ) (segid c and resid 3 and name HA ) 4.0 2.2 1.0 ! B.57 at -1.61e+06 assign (segid c and resid 3 and name HE# ) (segid c and resid 3 and name HA ) 4.0 2.2 2.0 ! D.593 at -3.12e+05 assign (segid c and resid 3 and name HD# ) (segid c and resid 4 and name HN ) 4.0 2.2 2.0 ! A.20 at 4.84e+05 assign (segid c and resid 3 and name HA ) (segid c and resid 4 and name HN ) 3.0 1.2 0.5 ! A.23 at 4.32e+06 assign (segid c and resid 3 and name HB# ) (segid c and resid 4 and name HN ) 4.0 2.2 2.0 ! A.24 at 6.19e+05 assign (segid c and resid 3 and name HN ) (segid c and resid 4 and name HA ) 4.0 2.2 2.0 ! A.10 at 3.16e+05 assign (segid c and resid 3 and name HD# ) (segid c and resid 4 and name HA ) 4.0 2.2 2.0 ! B.59 at -8.49e+05 assign (segid c and resid 3 and name HA ) (segid c and resid 4 and name HB# ) 4.0 2.2 2.0 ! B.229 at -5.91e+05 ! K4 ! V5 assign (segid c and resid 5 and name HG* ) (segid c and resid 5 and name HN ) 4.0 2.2 1.5 ! A.37 at 8.73e+05 assign (segid c and resid 5 and name HB ) (segid c and resid 5 and name HN ) 4.0 2.2 1.0 ! A.40 at 1.80e+06 assign (segid c and resid 5 and name HA ) (segid c and resid 5 and name HG* ) 3.0 1.2 0.8 ! B.1293 at 3.51e+06 assign (segid c and resid 5 and name HA ) (segid c and resid 6 and name HN ) 2.5 0.7 0.4 ! A.42 at 6.88e+06 assign (segid c and resid 5 and name HG* ) (segid c and resid 6 and name HN ) 3.0 1.2 1.0 ! B.666 at 6.22e+06 assign (segid c and resid 5 and name HG* ) (segid c and resid 7 and name HD* ) 4.0 2.2 2.0 ! D.497 at 6.48e+05 ! I6 assign (segid c and resid 6 and name HG1# ) (segid c and resid 6 and name HN ) 4.0 2.2 2.0 ! B.1120 at 1.00e+06 assign (segid c and resid 6 and name HG1# ) (segid c and resid 6 and name HA ) 4.0 2.2 1.0 ! D.11 at 3.85e+05 assign (segid c and resid 6 and name HB ) (segid c and resid 6 and name HN ) 4.0 2.2 1.0 ! B.1639 at -2.31e+06 assign (segid c and resid 6 and name HG2# ) (segid c and resid 6 and name HN ) 4.0 2.2 1.5 ! B.400 at 1.71e+06 assign (segid c and resid 6 and name HD# ) (segid c and resid 6 and name HA ) 4.0 2.2 1.5 ! B.1346 at 2.00e+06 assign (segid c and resid 6 and name HD# ) (segid c and resid 6 and name HN ) 4.0 2.2 1.5 ! B.166 at 1.91e+06 assign (segid c and resid 6 and name HG2# ) (segid c and resid 6 and name HA ) 3.0 1.2 0.8 ! D.10 at 1.59e+06 assign (segid c and resid 6 and name HD# ) (segid c and resid 6 and name HB ) 3.0 1.2 0.8 ! D.16 at -1.31e+06 assign (segid c and resid 6 and name HN ) (segid c and resid 7 and name HN ) 4.0 2.2 2.0 ! A.41 at 3.54e+05 assign (segid c and resid 6 and name HG1# ) (segid c and resid 7 and name HN ) 4.0 2.2 2.0 ! A.54 at 4.61e+05 assign (segid c and resid 6 and name HG2# ) (segid c and resid 7 and name HN ) 3.0 1.2 1.0 ! A.55 at 2.54e+06 assign (segid c and resid 6 and name HA ) (segid c and resid 7 and name HN ) 2.5 0.7 0.4 ! A.50 at 6.92e+06 assign (segid c and resid 6 and name HD# ) (segid c and resid 7 and name HN ) 4.0 2.2 2.5 ! B.167 at 8.13e+05 assign (segid c and resid 6 and name HG2# ) (segid c and resid 8 and name HN ) 4.0 2.2 1.5 ! A.63 at 9.94e+05 assign (segid c and resid 6 and name HG2# ) (segid c and resid 8 and name HD2# ) 4.0 2.2 1.5 ! A.518 at 6.40e+05 assign (segid c and resid 6 and name HG2# ) (segid c and resid 8 and name HA ) 4.0 2.2 1.5 ! B.1 at -1.39e+06 ! L7 assign (segid c and resid 7 and name HB# ) (segid c and resid 7 and name HN ) 3.0 1.2 0.5 ! A.52 at 2.68e+06 assign (segid c and resid 7 and name HG ) (segid c and resid 7 and name HN ) 4.0 2.2 1.0 ! A.53 at 1.07e+06 assign (segid c and resid 7 and name HD* ) (segid c and resid 7 and name HN ) 4.0 2.2 2.5 ! A.57 at 5.94e+05 assign (segid c and resid 7 and name HG ) (segid c and resid 7 and name HA ) 4.0 2.2 2.0 ! B.1548 at 7.46e+05 assign (segid c and resid 7 and name HD* ) (segid c and resid 7 and name HB# ) 4.0 2.2 1.5 ! B.960 at 8.81e+06 assign (segid c and resid 7 and name HA ) (segid c and resid 7 and name HD* ) 4.0 2.2 2.5 ! B.1299 at 3.38e+06 assign (segid c and resid 7 and name HB# ) (segid c and resid 8 and name HN ) 4.0 2.2 1.0 ! A.62 at 1.16e+06 !assign (segid c and resid 7 and name HD* ) (segid c and resid 8 and name HN ) 4.0 2.2 1.5 ! A.64 at 9.20e+05 !assign (segid c and resid 7 and name HD* ) !(segid c and resid 8 and name HA ) 4.0 2.2 1.5 ! D.729 at -1.05e+06 constraint loosened !assign (segid c and resid 7 and name HB# ) (segid c and resid 8 and name HA ) 4.0 2.2 1.0 ! D.67 at -4.25e+05 ! N8 assign (segid c and resid 8 and name HB# ) (segid c and resid 8 and name HD2# ) 3.0 1.2 0.3 ! A.515 at 2.38e+06 assign (segid c and resid 8 and name HA ) (segid c and resid 8 and name HD2# ) 4.0 2.2 2.0 ! C.279 at 1.38e+06 assign (segid c and resid 8 and name HN ) (segid c and resid 9 and name HN ) 4.0 2.2 1.0 ! A.58 at 7.99e+05 assign (segid c and resid 8 and name HB# ) (segid c and resid 9 and name HN ) 4.0 2.2 1.0 ! A.70 at 1.36e+06 assign (segid c and resid 8 and name HA ) (segid c and resid 9 and name HN ) 3.0 1.2 0.5 ! A.67 at 2.25e+06 assign (segid c and resid 8 and name HN ) (segid c and resid 10 and name HN ) 4.0 2.2 2.0 ! A.587 at 3.22e+05 ! G9 assign (segid c and resid 9 and name HA# ) (segid c and resid 10 and name HN ) 2.5 0.7 0.4 ! A.73 at 5.80e+06 assign (segid c and resid 9 and name HN ) (segid c and resid 10 and name HN ) 4.0 2.2 1.0 ! A.83 at 9.65e+05 ! K10 assign (segid c and resid 10 and name HA ) (segid c and resid 10 and name HG# ) 3.0 1.2 0.3 ! B.230 at 5.19e+06 assign (segid c and resid 10 and name HB# ) (segid c and resid 10 and name HN ) 3.0 1.2 0.5 ! C.56 at -1.08e+07 assign (segid c and resid 10 and name HA ) (segid c and resid 11 and name HN ) 2.5 0.7 0.4 ! A.84 at 6.81e+06 assign (segid c and resid 10 and name HA ) (segid c and resid 11 and name HG2# ) 4.0 2.2 1.5 ! B.235 at 1.87e+06 assign (segid c and resid 10 and name HB# ) (segid c and resid 11 and name HN ) 4.0 2.2 1.0 ! C.20 at -3.99e+06 ! T11 assign (segid c and resid 11 and name HG2# ) (segid c and resid 11 and name HN ) 3.0 1.2 1.0 ! A.87 at 2.86e+06 assign (segid c and resid 11 and name HG2# ) (segid c and resid 12 and name HD* ) 4.0 2.2 2.0 ! B.1031 at 2.56e+06 assign (segid c and resid 11 and name HA ) (segid c and resid 12 and name HN ) 2.5 0.7 0.4 ! C.63 at 3.12e+07 ! L12 assign (segid c and resid 12 and name HG ) (segid c and resid 12 and name HN ) 4.0 2.2 1.0 ! B.1078 at 1.75e+06 assign (segid c and resid 12 and name HG ) (segid c and resid 12 and name HA ) 4.0 2.2 1.0 ! B.1079 at 1.46e+06 assign (segid c and resid 12 and name HD* ) (segid c and resid 12 and name HB# ) 3.0 1.2 0.8 ! B.1009 at 9.28e+06 assign (segid c and resid 12 and name HD* ) (segid c and resid 12 and name HA ) 3.0 1.2 0.8 ! B.904 at 8.24e+06 assign (segid c and resid 12 and name HD* ) (segid c and resid 12 and name HN ) 4.0 2.2 1.5 ! B.905 at 1.15e+06 assign (segid c and resid 12 and name HA ) (segid c and resid 13 and name HN ) 3.0 1.2 0.5 ! B.180 at 3.88e+06 assign (segid c and resid 12 and name HB# ) (segid c and resid 13 and name HN ) 4.0 2.2 1.0 ! C.71 at -3.05e+06 ! K13 assign (segid c and resid 13 and name HG# ) (segid c and resid 14 and name HN ) 4.0 2.2 1.0 ! A.104 at 6.38e+05 assign (segid c and resid 13 and name HN ) (segid c and resid 14 and name HA# ) 4.0 2.2 1.0 ! C.68 at -2.17e+06 assign (segid c and resid 13 and name HA ) (segid c and resid 14 and name HN ) 2.5 0.7 0.4 ! C.8 at 1.81e+07 ! G14 assign (segid c and resid 14 and name HN ) (segid c and resid 15 and name HG# ) 4.0 2.2 2.0 ! A.581 at 3.20e+05 assign (segid c and resid 14 and name HA# ) (segid c and resid 15 and name HN ) 4.0 2.2 1.0 ! C.13 at -3.18e+06 assign (segid c and resid 14 and name HA# ) (segid c and resid 16 and name HN ) 4.0 2.2 2.0 ! A.450 at 3.54e+05 ! E15 assign (segid c and resid 15 and name HG# ) (segid c and resid 15 and name HN ) 4.0 2.2 2.0 ! A.582 at 3.99e+05 assign (segid c and resid 15 and name HB# ) (segid c and resid 15 and name HN ) 4.0 2.2 2.0 ! A.583 at 5.70e+05 assign (segid c and resid 15 and name HG# ) (segid c and resid 16 and name HN ) 4.0 2.2 1.0 ! A.451 at 7.23e+05 assign (segid c and resid 15 and name HB# ) (segid c and resid 16 and name HN ) 4.0 2.2 1.0 ! A.452 at 1.25e+06 assign (segid c and resid 15 and name HA ) (segid c and resid 16 and name HN ) 2.5 0.7 0.4 ! C.17 at 4.12e+07 ! T16 assign (segid c and resid 16 and name HB ) (segid c and resid 16 and name HN ) 2.5 0.7 0.4 ! C.19 at 1.53e+07 ! T17 assign (segid c and resid 17 and name HB ) (segid c and resid 18 and name HN ) 2.5 0.7 0.4 ! C.23 at 2.29e+07 ! T18 assign (segid c and resid 18 and name HG2# ) (segid c and resid 18 and name HN ) 2.5 0.7 0.9 ! C.22 at 1.95e+07 ! E19 assign (segid c and resid 19 and name HB# ) (segid c and resid 19 and name HN ) 3.0 1.2 0.5 ! A.526 at 2.27e+06 assign (segid c and resid 19 and name HG# ) (segid c and resid 19 and name HN ) 3.0 1.2 0.5 ! A.527 at 2.61e+06 assign (segid c and resid 19 and name HB# ) (segid c and resid 20 and name HN ) 4.0 2.2 1.0 ! A.542 at 1.28e+06 assign (segid c and resid 19 and name HG# ) (segid c and resid 20 and name HN ) 4.0 2.2 1.0 ! A.543 at 9.59e+05 assign (segid c and resid 19 and name HN ) (segid c and resid 20 and name HB# ) 4.0 2.2 2.5 ! A.530 at 4.90e+05 assign (segid c and resid 19 and name HG# ) (segid c and resid 20 and name HB# ) 4.0 2.2 1.5 ! B.1410 at 1.79e+06 assign (segid c and resid 19 and name HA ) (segid c and resid 20 and name HN ) 2.5 0.7 0.4 ! C.72 at 2.45e+07 assign (segid c and resid 19 and name HB# ) (segid c and resid 21 and name HN ) 4.0 2.2 2.0 ! A.115 at 5.15e+05 assign (segid c and resid 19 and name HA ) (segid c and resid 21 and name HN ) 4.0 2.2 1.0 ! B.1415 at 1.40e+06 ! A20 assign (segid c and resid 20 and name HB# ) (segid c and resid 20 and name HN ) 2.5 0.7 0.9 ! A.107 at 8.84e+06 assign (segid c and resid 20 and name HN ) (segid c and resid 21 and name HN ) 3.0 1.2 0.5 ! A.544 at 3.10e+06 assign (segid c and resid 20 and name HA ) (segid c and resid 21 and name HA ) 4.0 2.2 1.0 ! B.19 at -1.61e+06 assign (segid c and resid 20 and name HA ) (segid c and resid 21 and name HN ) 3.0 1.2 0.5 ! B.10 at -9.23e+06 assign (segid c and resid 20 and name HA ) (segid c and resid 21 and name HG* ) 4.0 2.2 1.5 ! B.14 at -1.68e+06 assign (segid c and resid 20 and name HB# ) (segid c and resid 21 and name HA ) 4.0 2.2 1.5 ! B.1374 at 2.07e+06 assign (segid c and resid 20 and name HB# ) (segid c and resid 21 and name HN ) 3.0 1.2 1.0 ! B.544 at 8.50e+06 assign (segid c and resid 20 and name HB# ) (segid c and resid 21 and name HG* ) 4.0 2.2 2.0 ! D.659 at 4.91e+05 assign (segid c and resid 20 and name HB# ) (segid c and resid 22 and name HB# ) 4.0 2.2 1.5 ! B.1409 at 1.94e+06 assign (segid c and resid 20 and name HB# ) (segid c and resid 22 and name HA ) 4.0 2.2 2.5 ! B.551 at 1.01e+06 !assign (segid c and resid 20 and name HA ) (segid c and resid 23 and name HB# ) 4.0 2.2 2.5 ! B.453 at 8.95e+05 ! V21 assign (segid c and resid 21 and name HG* ) (segid c and resid 21 and name HN ) 3.0 1.2 1.0 ! A.112 at 3.72e+06 assign (segid c and resid 21 and name HA ) (segid c and resid 21 and name HG* ) 2.5 0.7 0.7 ! D.252 at 4.56e+06 assign (segid c and resid 21 and name HA ) (segid c and resid 22 and name HN ) 3.0 1.2 0.5 ! A.132 at 9.58e+06 constraint loosened assign (segid c and resid 21 and name HB ) (segid c and resid 22 and name HN ) 4.0 2.2 1.0 ! A.547 at 1.42e+06 assign (segid c and resid 21 and name HG* ) (segid c and resid 22 and name HA ) 4.0 2.2 2.5 ! B.769 at 7.69e+05 assign (segid c and resid 21 and name HG* ) (segid c and resid 22 and name HB# ) 4.0 2.2 1.5 ! B.765 at 3.04e+06 assign (segid c and resid 21 and name HG* ) (segid c and resid 22 and name HN ) 3.0 1.2 1.0 ! B.1342 at 4.41e+06 assign (segid c and resid 21 and name HA ) (segid c and resid 22 and name HB# ) 4.0 2.2 1.0 ! B.759 at -1.63e+06 !assign (segid c and resid 21 and name HA ) (segid c and resid 24 and name HB# ) 4.0 2.2 2.5 ! D.105 at 2.70e+05 assign (segid c and resid 21 and name HG* ) (segid c and resid 25 and name HB ) 4.0 2.2 2.5 ! B.1068 at 8.40e+05 assign (segid c and resid 21 and name HG* ) (segid c and ((resid 25 and name HG2# ) or (resid 20 and name HB# ))) 4.0 2.2 2.0 ! B.772 at 3.15e+06 assign (segid c and resid 21 and name HG* ) (segid c and resid 26 and name HB# ) 4.0 2.2 2.5 ! B.766 at 1.12e+06 ! D22 assign (segid c and resid 22 and name HB# ) (segid c and resid 22 and name HN ) 2.5 0.7 0.4 ! A.133 at 5.79e+06 assign (segid c and resid 22 and name HN ) (segid c and resid 23 and name HN ) 4.0 2.2 2.0 ! A.549 at 4.85e+05 assign (segid c and resid 22 and name HA ) (segid c and resid 23 and name HN ) 2.5 0.7 0.4 ! A.590 at 7.22e+06 assign (segid c and resid 22 and name HA ) (segid c and ((resid 23 and name HA ) or (resid 24 and name HA ))) 4.0 2.2 2.0 ! B.1653 at 7.17e+05 assign (segid c and resid 22 and name HB# ) (segid c and resid 23 and name HN ) 4.0 2.2 1.0 ! A.550 at 1.42e+06 assign (segid c and resid 22 and name HA ) (segid c and resid 23 and name HB# ) 3.0 1.2 0.8 ! B.449 at 4.48e+06 assign (segid c and resid 22 and name HA ) (segid c and resid 24 and name HN ) 4.0 2.2 1.0 ! A.555 at 1.49e+06 assign (segid c and resid 22 and name HB# ) (segid c and resid 24 and name HN ) 4.0 2.2 2.0 ! A.553 at 5.89e+05 assign (segid c and resid 22 and name HA ) (segid c and resid 24 and name HB# ) 4.0 2.2 2.5 ! B.1487 at 9.26e+05 assign (segid c and resid 22 and name HB# ) (segid c and resid 24 and name HB# ) 4.0 2.2 1.5 ! B.1489 at 1.62e+06 assign (segid c and resid 22 and name HB# ) (segid c and resid 25 and name HN ) 4.0 2.2 1.0 ! A.147 at 9.84e+05 assign (segid c and resid 22 and name HA ) (segid c and resid 25 and name HN ) 4.0 2.2 1.0 ! A.611 at 4.43e+06 constraint loosened assign (segid c and resid 22 and name HB# ) (segid c and resid 25 and name HB ) 3.0 1.2 0.3 ! B.1065 at 3.73e+06 assign (segid c and resid 22 and name HA ) (segid c and resid 25 and name HB ) 4.0 2.2 1.0 ! B.1609 at 2.23e+06 assign (segid c and resid 22 and name HN ) (segid c and resid 25 and name HB ) 4.0 2.2 2.0 ! B.1064 at 1.04e+06 assign (segid c and resid 22 and name HA ) (segid c and resid 25 and name HG2# ) 4.0 2.2 1.5 ! B.835 at 2.47e+06 assign (segid c and resid 22 and name HB# ) (segid c and resid 25 and name HG2# ) 3.0 1.2 0.8 ! B.827 at 4.27e+06 assign (segid c and resid 22 and name HA ) (segid c and resid 26 and name HN ) 4.0 2.2 2.0 ! A.562 at 4.78e+05 ! A23 assign (segid c and resid 23 and name HB# ) (segid c and resid 23 and name HN ) 2.5 0.7 0.9 ! A.137 at 5.66e+06 assign (segid c and resid 23 and name HN ) (segid c and resid 24 and name HN ) 4.0 2.2 1.0 ! A.135 at 1.52e+06 assign (segid c and resid 23 and name HN ) (segid c and resid 24 and name HB# ) 4.0 2.2 1.5 ! B.1484 at 1.46e+06 assign (segid c and resid 23 and name HB# ) (segid c and resid 26 and name HB# ) 4.0 2.2 1.5 ! B.455 at 2.48e+06 assign (segid c and resid 23 and name HB# ) (segid c and resid 26 and name HD# ) 4.0 2.2 2.5 ! B.452 at 6.61e+05 assign (segid c and resid 23 and name HA ) (segid c and resid 26 and name HB# ) 4.0 2.2 1.0 ! B.177 at 2.55e+06 assign (segid c and resid 23 and name HA ) (segid c and resid 26 and name HN ) 4.0 2.2 1.0 ! C.105 at 3.99e+06 assign (segid c and resid 23 and name HB# ) (segid c and resid 26 and name HN ) 4.0 2.2 1.5 ! C.101 at 2.20e+06 ! A24 assign (segid c and resid 24 and name HB# ) (segid c and resid 24 and name HN ) 2.5 0.7 0.9 ! A.142 at 9.12e+06 assign (segid c and resid 24 and name HN ) (segid c and resid 25 and name HN ) 3.0 1.2 0.5 ! A.140 at 3.36e+06 assign (segid c and resid 24 and name HN ) (segid c and resid 25 and name HB ) 4.0 2.2 2.0 ! B.1329 at 8.36e+05 assign (segid c and resid 24 and name HB# ) (segid c and resid 25 and name HB ) 4.0 2.2 1.5 ! B.1486 at 1.19e+06 assign (segid c and resid 24 and name HB# ) (segid c and resid 25 and name HN ) 2.5 0.7 0.9 ! B.1483 at 1.07e+07 assign (segid c and resid 24 and name HA ) (segid c and resid 25 and name HN ) 4.0 2.2 1.0 ! C.96 at 3.82e+06 assign (segid c and resid 24 and name HN ) (segid c and resid 27 and name HN ) 4.0 2.2 1.0 ! A.139 at 1.13e+06 assign (segid c and resid 24 and name HA ) (segid c and resid 27 and name HN ) 4.0 2.2 1.0 ! C.108 at 2.65e+06 assign (segid c and resid 24 and name HB# ) (segid c and resid 27 and name HA ) 4.0 2.2 2.5 ! D.778 at 3.17e+05 assign (segid c and resid 24 and name HA ) (segid c and resid 27 and name HA ) 4.0 2.2 2.0 ! D.574 at 2.65e+05 assign (segid c and ((resid 24 and name HA ) or (resid 23 and name HA ))) (segid c and resid 27 and name HG# ) 4.0 2.2 1.0 ! B.162 at 1.60e+06 assign (segid c and resid 24 and name HB# ) (segid c and resid 28 and name HE# ) 4.0 2.2 1.5 ! B.1490 at 2.05e+06 assign (segid c and resid 24 and name HB# ) (segid c and resid 28 and name HN ) 4.0 2.2 2.5 ! B.1485 at 8.08e+05 assign (segid c and resid 24 and name HA ) (segid c and resid 28 and name HN ) 4.0 2.2 2.0 ! C.428 at 1.48e+06 ! T25 assign (segid c and resid 25 and name HB ) (segid c and resid 25 and name HN ) 3.0 1.2 0.5 ! A.145 at 3.20e+06 assign (segid c and resid 25 and name HG2# ) (segid c and resid 25 and name HA ) 2.5 0.7 0.7 ! B.833 at 2.02e+07 assign (segid c and resid 25 and name HG2# ) (segid c and resid 25 and name HN ) 3.0 1.2 1.0 ! C.98 at 5.07e+06 assign (segid c and resid 25 and name HG2# ) (segid c and ((resid 25 and name HN ) or (resid 31 and name HN ))) 3.0 1.2 1.0 ! B.824 at 5.21e+06 assign (segid c and resid 25 and name HG2# ) (segid c and resid 26 and name HN ) 4.0 2.2 1.5 ! A.155 at 8.82e+05 assign (segid c and resid 25 and name HB ) (segid c and resid 26 and name HN ) 4.0 2.2 1.0 ! A.560 at 1.42e+06 assign (segid c and resid 25 and name HB ) (segid c and resid 26 and name HA ) 4.0 2.2 1.0 ! B.1066 at 1.15e+06 assign (segid c and resid 25 and name HG2# ) (segid c and resid 26 and name HD# ) 4.0 2.2 2.5 ! B.1634 at 6.15e+05 assign (segid c and resid 25 and name HG2# ) (segid c and resid 26 and name HB# ) 4.0 2.2 1.5 ! B.828 at 1.45e+06 assign (segid c and resid 25 and name HG2# ) (segid c and resid 26 and name HA ) 4.0 2.2 1.5 ! B.559 at 1.20e+06 assign (segid c and resid 25 and name HG2# ) (segid c and ((resid 26 and name HA ) or (resid 28 and name HE# ))) 3.0 1.2 0.8 ! B.826 at 4.16e+06 assign (segid c and resid 25 and name HA ) (segid c and resid 26 and name HN ) 4.0 2.2 1.0 ! C.103 at 2.25e+06 assign (segid c and resid 25 and name HA ) (segid c and resid 28 and name HD# ) 4.0 2.2 1.0 ! B.999 at 1.99e+06 assign (segid c and resid 25 and name HA ) (segid c and resid 28 and name HN ) 4.0 2.2 1.0 ! B.1421 at 1.71e+06 assign (segid c and resid 25 and name HG2# ) (segid c and resid 28 and name HN ) 4.0 2.2 1.5 ! B.821 at 1.26e+06 assign (segid c and resid 25 and name HA ) (segid c and resid 29 and name HN ) 4.0 2.2 2.0 ! A.176 at 5.58e+05 assign (segid c and resid 25 and name HA ) (segid c and resid 29 and name HG2# ) 4.0 2.2 2.5 ! B.1551 at 8.84e+05 assign (segid c and resid 25 and name HG2# ) (segid c and resid 29 and name HG2# ) 3.0 1.2 1.3 ! B.876 at 8.05e+06 assign (segid c and resid 25 and name HG2# ) (segid c and resid 29 and name HG1# ) 3.0 1.2 1.3 ! B.831 at 3.99e+06 assign (segid c and resid 25 and name HG2# ) (segid c and resid 29 and name HA ) 4.0 2.2 2.5 ! B.832 at 8.45e+05 assign (segid c and resid 25 and name HG2# ) (segid c and resid 29 and name HN ) 4.0 2.2 1.5 ! C.121 at 2.00e+06 assign (segid c and resid 25 and name HG2# ) (segid c and resid 29 and name HG2# ) 3.0 1.2 1.3 ! D.403 at 2.22e+06 ! F26 assign (segid c and resid 26 and name HB# ) (segid c and resid 26 and name HN ) 3.0 1.2 0.5 ! A.153 at 2.32e+06 assign (segid c and resid 26 and name HD# ) (segid c and resid 26 and name HN ) 4.0 2.2 1.0 ! A.150 at 1.03e+06 assign (segid c and resid 26 and name HD# ) (segid c and resid 26 and name HB# ) 4.0 2.2 2.0 ! B.1093 at -1.11e+06 assign (segid c and resid 26 and name HD# ) (segid c and resid 26 and name HA ) 4.0 2.2 1.0 ! B.1092 at -1.35e+06 assign (segid c and resid 26 and name HD# ) (segid c and resid 26 and name HZ ) 4.0 2.2 2.0 ! B.1089 at -9.94e+05 assign (segid c and resid 26 and name HN ) (segid c and resid 27 and name HN ) 4.0 2.2 1.0 ! A.149 at 1.11e+06 assign (segid c and resid 26 and name HB# ) (segid c and resid 27 and name HN ) 4.0 2.2 1.0 ! A.163 at 7.37e+05 assign (segid c and resid 26 and name HD# ) (segid c and resid 27 and name HN ) 4.0 2.2 1.0 ! A.166 at 9.39e+05 assign (segid c and resid 26 and name HD# ) (segid c and resid 27 and name HA ) 4.0 2.2 2.0 ! B.1631 at 5.71e+05 assign (segid c and resid 26 and name HA ) (segid c and resid 29 and name HN ) 4.0 2.2 1.0 ! A.178 at 9.54e+05 assign (segid c and resid 26 and name HA ) (segid c and resid 29 and name HB ) 4.0 2.2 1.0 ! B.1242 at 1.85e+06 assign (segid c and resid 26 and name HD# ) (segid c and resid 29 and name HG2# ) 4.0 2.2 2.5 ! B.1290 at -6.38e+05 assign (segid c and resid 26 and name HA ) (segid c and resid 29 and name HG2# ) 3.0 1.2 0.8 ! B.872 at 4.38e+06 assign (segid c and resid 26 and name HA ) (segid c and resid 29 and name HG1# ) 4.0 2.2 2.5 ! B.562 at 1.01e+06 assign (segid c and resid 26 and name HD# ) (segid c and resid 29 and name HG1# ) 4.0 2.2 2.5 ! B.1638 at 6.14e+05 assign (segid c and resid 26 and name HD# ) (segid c and resid 29 and name HN ) 4.0 2.2 2.0 ! C.124 at -1.42e+06 assign (segid c and resid 26 and name HD# ) (segid c and resid 30 and name HG1# ) 4.0 2.2 2.5 ! B.1094 at -1.11e+06 assign (segid c and resid 26 and name HD# ) (segid c and resid 30 and name HG2# ) 4.0 2.2 1.5 ! B.884 at 2.09e+06 assign (segid c and resid 26 and name HE# ) (segid c and resid 30 and name HG2# ) 3.0 1.2 0.8 ! B.883 at 7.80e+06 assign (segid c and resid 26 and name HZ ) (segid c and resid 30 and name HG1# ) 4.0 2.2 1.5 ! B.934 at -1.42e+06 assign (segid c and resid 26 and name HZ ) (segid c and resid 30 and name HG2# ) 4.0 2.2 1.5 ! B.935 at -1.63e+06 assign (segid c and resid 26 and name HB# ) (segid c and resid 30 and name HG1# ) 4.0 2.2 2.5 ! B.388 at -9.42e+05 assign (segid c and resid 26 and name HE# ) (segid c and resid 43 and name HZ2 ) 4.0 2.2 2.0 ! B.101 at 8.25e+05 assign (segid c and resid 26 and name HE# ) (segid c and resid 43 and name HH2 ) 4.0 2.2 2.0 ! B.570 at -5.96e+05 ! E27 assign (segid c and resid 27 and name HB# ) (segid c and resid 27 and name HN ) 4.0 2.2 1.0 ! B.1179 at 1.52e+06 assign (segid c and resid 27 and name HA ) (segid c and resid 27 and name HG# ) 4.0 2.2 1.0 ! B.95 at 2.49e+06 assign (segid c and resid 27 and name HG# ) (segid c and resid 27 and name HN ) 4.0 2.2 2.0 ! B.252 at -1.11e+06 assign (segid c and resid 27 and name HN ) (segid c and resid 28 and name HN ) 3.0 1.2 0.5 ! A.595 at 2.29e+06 assign (segid c and resid 27 and name HA ) (segid c and resid 28 and name HN ) 4.0 2.2 2.0 ! A.172 at 6.31e+05 assign (segid c and resid 27 and name HB# ) (segid c and resid 28 and name HN ) 4.0 2.2 1.0 ! B.1181 at 1.21e+06 assign (segid c and resid 27 and name HA ) (segid c and resid 30 and name HG1# ) 4.0 2.2 1.5 ! B.773 at 1.76e+06 assign (segid c and resid 27 and name HA ) (segid c and resid 30 and name HG2# ) 4.0 2.2 2.5 ! B.86 at 9.29e+05 assign (segid c and resid 27 and name HA ) (segid c and resid 43 and name HZ2 ) 4.0 2.2 1.0 ! B.96 at 1.75e+06 assign (segid c and resid 27 and name HB# ) (segid c and resid 43 and name HD1 ) 4.0 2.2 2.0 ! B.1180 at 1.07e+06 assign (segid c and resid 27 and name HB# ) (segid c and resid 43 and name HE1 ) 4.0 2.2 1.0 ! C.321 at 2.51e+06 assign (segid c and resid 27 and name HG# ) (segid c and resid 43 and name HE1 ) 4.0 2.2 2.0 ! B.1649 at -5.85e+05 assign (segid c and resid 27 and name HA ) (segid c and resid 43 and name HE1 ) 3.0 1.2 0.3 ! B.93 at 4.77e+06 assign (segid c and resid 27 and name HA ) (segid c and resid 43 and name HD1 ) 4.0 2.2 1.0 ! B.88 at 1.42e+06 ! K28 assign (segid c and resid 28 and name HG# ) (segid c and resid 28 and name HN ) 4.0 2.2 1.0 ! A.173 at 7.09e+05 assign (segid c and resid 28 and name HB# ) (segid c and resid 28 and name HE# ) 4.0 2.2 1.0 ! B.1285 at 1.54e+06 assign (segid c and resid 28 and name HB# ) (segid c and resid 28 and name HN ) 3.0 1.2 0.5 ! B.32 at 8.54e+06 assign (segid c and resid 28 and name HD# ) (segid c and resid 28 and name HN ) 4.0 2.2 1.0 ! B.1614 at 1.82e+06 assign (segid c and resid 28 and name HA ) (segid c and resid 28 and name HG# ) 4.0 2.2 1.0 ! B.413 at 2.82e+06 assign (segid c and resid 28 and name HG# ) (segid c and resid 28 and name HE# ) 4.0 2.2 1.0 ! D.210 at -6.96e+05 assign (segid c and resid 28 and name HA ) (segid c and resid 29 and name HN ) 4.0 2.2 1.0 ! A.175 at 9.70e+05 assign (segid c and resid 28 and name HN ) (segid c and resid 29 and name HN ) 3.0 1.2 0.5 ! A.570 at 2.74e+06 assign (segid c and resid 28 and name HB# ) (segid c and resid 29 and name HA ) 4.0 2.2 2.0 ! B.1286 at 7.56e+05 assign (segid c and resid 28 and name HB# ) (segid c and resid 29 and name HN ) 4.0 2.2 1.0 ! C.122 at -4.18e+06 assign (segid c and resid 28 and name HA ) (segid c and resid 31 and name HN ) 4.0 2.2 1.0 ! A.198 at 9.36e+05 assign (segid c and resid 28 and name HA ) (segid c and resid 31 and name HE# ) 4.0 2.2 2.0 ! B.748 at -1.13e+06 assign (segid c and resid 28 and name HA ) (segid c and resid 31 and name HB# ) 3.0 1.2 0.3 ! B.410 at 4.75e+06 assign (segid c and resid 28 and name HA ) (segid c and resid 32 and name HN ) 4.0 2.2 1.0 ! A.208 at 7.64e+05 assign (segid c and resid 28 and name HG# ) (segid c and resid 32 and name HA ) 4.0 2.2 2.0 ! B.415 at 5.36e+06 constraint loosened 2ce assign (segid c and resid 28 and name HG# ) (segid c and resid 32 and name HN ) 4.0 2.2 1.0 ! C.136 at 1.97e+06 ! V29 assign (segid c and resid 29 and name HG1# ) (segid c and resid 29 and name HN ) 4.0 2.2 1.5 ! A.182 at 1.67e+06 assign (segid c and resid 29 and name HG2# ) (segid c and resid 29 and name HN ) 3.0 1.2 1.0 ! A.181 at 4.60e+06 assign (segid c and resid 29 and name HB ) (segid c and resid 29 and name HN ) 3.0 1.2 0.5 ! B.1246 at 4.73e+06 assign (segid c and resid 29 and name HA ) (segid c and resid 29 and name HG2# ) 3.0 1.2 0.8 ! B.937 at 7.49e+06 assign (segid c and resid 29 and name HA ) (segid c and resid 29 and name HG1# ) 3.0 1.2 0.8 ! B.936 at 5.42e+06 assign (segid c and resid 29 and name HN ) (segid c and resid 30 and name HG2# ) 4.0 2.2 1.5 ! A.183 at 8.15e+05 assign (segid c and resid 29 and name HN ) (segid c and resid 30 and name HN ) 4.0 2.2 1.0 ! A.184 at 1.75e+06 assign (segid c and resid 29 and name HA ) (segid c and resid 30 and name HN ) 4.0 2.2 2.0 ! A.187 at 5.36e+05 assign (segid c and resid 29 and name HG1# ) (segid c and resid 30 and name HN ) 4.0 2.2 1.5 ! A.193 at 1.09e+06 assign (segid c and resid 29 and name HB ) (segid c and resid 30 and name HN ) 4.0 2.2 1.0 ! B.1247 at 2.01e+06 assign (segid c and resid 29 and name HB ) (segid c and resid 30 and name HG2# ) 4.0 2.2 1.5 ! B.1245 at 1.28e+06 assign (segid c and resid 29 and name HG1# ) (segid c and resid 30 and name HA ) 4.0 2.2 1.5 ! B.959 at 2.16e+06 assign (segid c and resid 29 and name HA ) (segid c and resid 30 and name HG2# ) 4.0 2.2 2.5 ! B.1640 at 5.09e+05 assign (segid c and resid 29 and name HG2# ) (segid c and resid 30 and name HG2# ) 4.0 2.2 2.0 ! B.878 at 3.08e+06 assign (segid c and resid 29 and name HG2# ) (segid c and resid 30 and name HA ) 4.0 2.2 2.5 ! B.871 at 1.07e+06 assign (segid c and resid 29 and name HG2# ) (segid c and resid 30 and name HN ) 4.0 2.2 1.5 ! B.864 at 2.23e+06 assign (segid c and resid 29 and name HG1# ) (segid c and resid 30 and name HG2# ) 4.0 2.2 2.0 ! D.242 at 8.78e+05 assign (segid c and resid 29 and name HA ) (segid c and resid 32 and name HN ) 4.0 2.2 1.0 ! A.211 at 9.94e+05 assign (segid c and resid 29 and name HA ) (segid c and resid 32 and name HB# ) 4.0 2.2 1.0 ! B.1108 at 2.15e+06 assign (segid c and resid 29 and name HA ) (segid c and resid 32 and name HG# ) 4.0 2.2 1.0 ! B.940 at 1.21e+06 assign (segid c and resid 29 and name HG2# ) (segid c and resid 32 and name HG# ) 4.0 2.2 2.5 ! B.874 at 6.38e+05 assign (segid c and resid 29 and name HG2# ) (segid c and resid 32 and name HB# ) 4.0 2.2 2.5 ! D.791 at 3.01e+05 assign (segid c and resid 29 and name HA ) (segid c and resid 33 and name HN ) 4.0 2.2 1.0 ! A.223 at 7.52e+05 assign (segid c and resid 29 and name HG1# ) (segid c and resid 33 and name HN ) 4.0 2.2 2.5 ! A.224 at 3.96e+05 assign (segid c and resid 29 and name HG1# ) (segid c and resid 33 and name HB# ) 3.0 1.2 0.8 ! B.508 at 4.23e+06 assign (segid c and resid 29 and name HG1# ) (segid c and ((resid 33 and name HD# ) or (resid 34 and name HD# ))) 3.0 1.2 0.8 ! B.511 at 3.70e+06 assign (segid c and resid 29 and name HG1# ) (segid c and resid 33 and name HA ) 4.0 2.2 2.5 ! B.515 at 7.34e+05 ! V30 assign (segid c and resid 30 and name HB ) (segid c and resid 30 and name HN ) 3.0 1.2 0.5 ! A.189 at 2.60e+06 assign (segid c and resid 30 and name HG2# ) (segid c and resid 30 and name HN ) 3.0 1.2 1.0 ! A.194 at 3.15e+06 assign (segid c and resid 30 and name HG1# ) (segid c and resid 30 and name HN ) 4.0 2.2 1.5 ! A.192 at 1.36e+06 assign (segid c and resid 30 and name HA ) (segid c and resid 30 and name HG1# ) 3.0 1.2 0.8 ! B.957 at 5.12e+06 assign (segid c and resid 30 and name HA ) (segid c and resid 30 and name HG2# ) 3.0 1.2 0.8 ! B.958 at 6.41e+06 assign (segid c and resid 30 and name HG2# ) (segid c and resid 31 and name HN ) 4.0 2.2 2.5 ! A.205 at 4.35e+05 assign (segid c and resid 30 and name HN ) (segid c and resid 31 and name HN ) 4.0 2.2 1.0 ! A.196 at 9.33e+05 assign (segid c and resid 30 and name HG1# ) (segid c and resid 31 and name HN ) 4.0 2.2 1.5 ! A.204 at 6.99e+05 assign (segid c and resid 30 and name HG1# ) (segid c and resid 31 and name HA ) 4.0 2.2 2.5 ! B.775 at 9.25e+05 assign (segid c and resid 30 and name HA ) (segid c and resid 32 and name HN ) 4.0 2.2 2.0 ! A.212 at 3.70e+05 assign (segid c and resid 30 and name HN ) (segid c and resid 32 and name HN ) 4.0 2.2 2.0 ! A.207 at 4.37e+05 !assign (segid c and resid 30 and name HA ) (segid c and resid 32 and name HE2# ) 4.0 2.2 2.0 ! C.540 at 1.23e+06 assign (segid c and resid 30 and name HA ) (segid c and resid 33 and name HN ) 3.0 1.2 0.5 ! A.572 at 1.81e+06 assign (segid c and resid 30 and name HG1# ) (segid c and resid 33 and name HE# ) 4.0 2.2 2.5 ! B.1071 at -3.66e+06 constraint loosened 2ce assign (segid c and resid 30 and name HA ) (segid c and resid 33 and name HB# ) 3.0 1.2 0.3 ! B.955 at 3.74e+06 assign (segid c and resid 30 and name HA ) (segid c and resid 34 and name HN ) 4.0 2.2 2.0 ! A.616 at 5.06e+05 assign (segid c and resid 30 and name HG1# ) (segid c and resid 34 and name HN ) 4.0 2.2 2.5 ! A.625 at 4.71e+05 assign (segid c and resid 30 and name HB ) (segid c and resid 43 and name HZ2 ) 3.0 1.2 0.3 ! B.1262 at 3.92e+06 assign (segid c and resid 30 and name HG2# ) (segid c and resid 43 and name HZ2 ) 3.0 1.2 0.8 ! B.97 at 3.16e+06 assign (segid c and resid 30 and name HG1# ) (segid c and resid 43 and name HZ2 ) 3.0 1.2 0.8 ! B.98 at 3.87e+06 assign (segid c and resid 30 and name HG2# ) (segid c and resid 43 and name HH2 ) 4.0 2.2 2.5 ! B.573 at -5.18e+05 assign (segid c and resid 30 and name HG1# ) (segid c and resid 43 and name HH2 ) 4.0 2.2 2.5 ! B.572 at -9.08e+05 assign (segid c and resid 30 and name HG2# ) (segid c and resid 43 and name HE1 ) 4.0 2.2 1.5 ! C.355 at 1.68e+06 assign (segid c and resid 30 and name HG1# ) (segid c and resid 43 and name HE1 ) 4.0 2.2 2.5 ! A.439 at 6.24e+05 assign (segid c and resid 30 and name HB ) (segid c and resid 43 and name HE1 ) 4.0 2.2 1.0 ! C.319 at 1.79e+06 assign (segid c and resid 30 and name HN ) (segid c and resid 43 and name HZ2 ) 4.0 2.2 2.0 ! C.131 at 1.42e+06 ! K31 assign (segid c and resid 31 and name HG# ) (segid c and resid 31 and name HA ) 3.0 1.2 0.3 ! B.1005 at 3.46e+06 assign (segid c and resid 31 and name HA ) (segid c and resid 31 and name HD# ) 4.0 2.2 1.0 ! B.482 at 5.71e+06 constraint loosened assign (segid c and resid 31 and name HB# ) (segid c and resid 31 and name HE# ) 4.0 2.2 2.0 ! B.227 at -7.84e+05 assign (segid c and resid 31 and name HE# ) (segid c and resid 31 and name HA ) 4.0 2.2 2.0 ! D.203 at -3.04e+05 assign (segid c and resid 31 and name HA ) (segid c and resid 32 and name HN ) 4.0 2.2 1.0 ! A.210 at 9.62e+05 assign (segid c and resid 31 and name HB# ) (segid c and resid 32 and name HN ) 4.0 2.2 1.0 ! B.225 at -1.50e+06 assign (segid c and resid 31 and name HA ) (segid c and resid 34 and name HN ) 4.0 2.2 2.0 ! A.228 at 5.42e+05 assign (segid c and resid 31 and name HA ) (segid c and resid 34 and name HB# ) 4.0 2.2 1.0 ! B.485 at 1.39e+06 assign (segid c and resid 31 and name HA ) (segid c and resid 35 and name HN ) 4.0 2.2 2.0 ! A.237 at 4.50e+05 assign (segid c and resid 31 and name HE# ) (segid c and resid 35 and name HN ) 4.0 2.2 2.0 ! B.756 at -9.46e+05 assign (segid c and resid 31 and name HG# ) (segid c and resid 35 and name HD2# ) 4.0 2.2 1.0 ! C.308 at 1.67e+06 assign (segid c and resid 31 and name HE# ) (segid c and resid 35 and name HD2# ) 4.0 2.2 1.0 ! C.302 at -2.18e+06 assign (segid c and resid 31 and name HE# ) (segid c and resid 41 and name HN ) 4.0 2.2 2.0 ! A.290 at 3.87e+05 assign (segid c and resid 31 and name HE# ) (segid c and resid 42 and name HA ) 4.0 2.2 1.0 ! B.749 at -2.60e+06 assign (segid c and resid 31 and name HN ) (segid c and resid 43 and name HE1 ) 4.0 2.2 1.0 ! A.426 at 9.13e+05 assign (segid c and resid 31 and name HN ) (segid c and resid 43 and name HZ2 ) 4.0 2.2 2.0 ! A.197 at 5.84e+05 assign (segid c and resid 31 and name HE# ) (segid c and resid 43 and name HD1 ) 4.0 2.2 2.0 ! B.1333 at -6.23e+05 assign (segid c and resid 31 and name HB# ) (segid c and resid 43 and name HE1 ) 4.0 2.2 1.0 ! C.322 at -1.71e+06 assign (segid c and resid 31 and name HE# ) (segid c and resid 43 and name HN ) 4.0 2.2 2.5 ! C.210 at -1.55e+06 ! Q32 assign (segid c and resid 32 and name HA ) (segid c and ((resid 29 and name HA ) or (resid 34 and name HA ))) 4.0 2.2 2.0 ! B.1592 at 1.03e+06 assign (segid c and resid 32 and name HA ) (segid c and ((resid 29 and name HB ) or (resid 31 and name HG# ) or (resid 28 and name HG# ))) 4.0 2.2 2.0 ! B.371 at 1.09e+06 assign (segid c and resid 32 and name HG# ) (segid c and resid 32 and name HN ) 4.0 2.2 1.0 ! A.213 at 1.54e+06 assign (segid c and resid 32 and name HB# ) (segid c and resid 32 and name HE2# ) 4.0 2.2 1.0 ! C.290 at 2.19e+06 assign (segid c and resid 32 and name HG# ) (segid c and resid 32 and name HE2# ) 2.5 0.7 0.2 ! C.288 at -1.84e+07 assign (segid c and resid 32 and name HA ) (segid c and resid 32 and name HE2# ) 4.0 2.2 1.0 ! C.295 at 2.58e+06 assign (segid c and resid 32 and name HB# ) (segid c and resid 32 and name HN ) 3.0 1.2 0.5 ! B.1102 at 5.32e+06 assign (segid c and resid 32 and name HA ) (segid c and resid 32 and name HG# ) 3.0 1.2 0.3 ! B.369 at 6.90e+06 assign (segid c and resid 32 and name HG# ) (segid c and resid 33 and name HN ) 4.0 2.2 1.0 ! A.532 at 6.40e+05 assign (segid c and resid 32 and name HA ) (segid c and resid 33 and name HN ) 4.0 2.2 1.0 ! A.222 at 7.54e+05 assign (segid c and resid 32 and name HN ) (segid c and resid 33 and name HN ) 3.0 1.2 0.5 ! A.217 at 1.91e+06 assign (segid c and resid 32 and name HG# ) (segid c and resid 33 and name HA ) 4.0 2.2 2.0 ! B.127 at -7.73e+05 assign (segid c and resid 32 and name HB# ) (segid c and resid 33 and name HN ) 3.0 1.2 0.5 ! C.141 at 4.67e+06 assign (segid c and resid 32 and name HA ) (segid c and resid 35 and name HN ) 4.0 2.2 1.0 ! A.235 at 1.62e+06 assign (segid c and resid 32 and name HN ) (segid c and resid 35 and name HB# ) 4.0 2.2 2.0 ! A.596 at 3.66e+05 assign (segid c and resid 32 and name HE2# ) (segid c and resid 35 and name HB# ) 4.0 2.2 2.0 ! A.469 at 6.33e+05 assign (segid c and resid 32 and name HB# ) (segid c and resid 35 and name HB# ) 4.0 2.2 2.0 ! B.1109 at 8.71e+05 assign (segid c and resid 32 and name HA ) (segid c and resid 35 and name HB# ) 2.5 0.7 0.2 ! B.82 at -1.08e+07 assign (segid c and resid 32 and name HA ) (segid c and resid 35 and name HA ) 4.0 2.2 2.0 ! B.367 at 9.04e+05 assign (segid c and resid 32 and name HG# ) (segid c and resid 35 and name HB# ) 4.0 2.2 1.0 ! B.132 at -2.01e+06 assign (segid c and resid 32 and name HA ) (segid c and resid 36 and name HN ) 4.0 2.2 1.0 ! A.245 at 9.42e+05 assign (segid c and resid 32 and name HG# ) (segid c and resid 36 and name HN ) 4.0 2.2 2.0 ! A.249 at 6.32e+05 ! F33 assign (segid c and resid 33 and name HD# ) (segid c and resid 33 and name HN ) 4.0 2.2 1.0 ! A.219 at 1.46e+06 assign (segid c and resid 33 and name HB# ) (segid c and resid 33 and name HN ) 2.5 0.7 0.4 ! A.220 at 5.82e+06 assign (segid c and resid 33 and name HD# ) (segid c and resid 33 and name HB# ) 3.0 1.2 0.3 ! B.1121 at -3.35e+06 assign (segid c and resid 33 and name HD# ) (segid c and resid 33 and name HA ) 4.0 2.2 1.0 ! B.1122 at -1.33e+06 assign (segid c and resid 33 and name HN ) (segid c and resid 34 and name HN ) 3.0 1.2 0.5 ! A.218 at 2.37e+06 assign (segid c and resid 33 and name HA ) (segid c and resid 34 and name HN ) 4.0 2.2 1.0 ! A.227 at 7.02e+05 assign (segid c and resid 33 and name HB# ) (segid c and resid 34 and name HN ) 4.0 2.2 1.0 ! B.359 at -1.55e+06 assign (segid c and resid 33 and name HN ) (segid c and resid 35 and name HN ) 4.0 2.2 2.0 ! A.578 at 3.33e+05 assign (segid c and resid 33 and name HA ) (segid c and resid 36 and name HB# ) 4.0 2.2 1.0 ! B.496 at 1.97e+06 assign (segid c and resid 33 and name HA ) (segid c and resid 36 and name HN ) 4.0 2.2 2.0 ! B.502 at 8.80e+05 assign (segid c and resid 33 and name HA ) (segid c and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.483 at 3.32e+05 ! F34 assign (segid c and resid 34 and name HD# ) (segid c and resid 34 and name HA ) 4.0 2.2 1.0 ! B.1125 at -1.99e+06 assign (segid c and resid 34 and name HD# ) (segid c and resid 34 and name HB# ) 4.0 2.2 1.0 ! B.1097 at -1.66e+06 assign (segid c and resid 34 and name HZ ) (segid c and resid 34 and name HB# ) 4.0 2.2 2.0 ! B.981 at -5.19e+05 !assign (segid c and resid 34 and name HZ ) (segid c and resid 34 and name HD# ) 3.0 1.2 0.3 ! B.980 at -7.58e+06 covalent assign (segid c and resid 34 and name HB# ) (segid c and resid 34 and name HN ) 4.0 2.2 1.0 ! C.146 at -2.64e+06 assign (segid c and resid 34 and name HD# ) (segid c and resid 34 and name HN ) 4.0 2.2 1.0 ! C.445 at -3.34e+06 assign (segid c and resid 34 and name HA ) (segid c and resid 35 and name HN ) 4.0 2.2 1.0 ! A.236 at 8.55e+05 assign (segid c and resid 34 and name HB# ) (segid c and resid 35 and name HN ) 4.0 2.2 1.0 ! A.238 at 1.66e+06 assign (segid c and resid 34 and name HN ) (segid c and resid 35 and name HB# ) 4.0 2.2 2.0 ! A.588 at 4.20e+05 assign (segid c and resid 34 and name HN ) (segid c and resid 35 and name HN ) 3.0 1.2 0.5 ! A.225 at 2.10e+06 assign (segid c and resid 34 and name HD# ) (segid c and resid 37 and name HN ) 4.0 2.2 2.0 ! A.121 at 3.11e+05 assign (segid c and resid 34 and name HA ) (segid c and resid 37 and name HN ) 4.0 2.2 1.0 ! A.125 at 1.04e+06 assign (segid c and resid 34 and name HA ) (segid c and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.484 at 3.52e+05 assign (segid c and resid 34 and name HZ ) (segid c and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.476 at 4.15e+05 assign (segid c and resid 34 and name HA ) (segid c and resid 37 and name HB# ) 4.0 2.2 1.0 ! B.521 at -1.36e+06 assign (segid c and resid 34 and name HA ) (segid c and resid 38 and name HN ) 4.0 2.2 2.0 ! A.261 at 4.63e+05 assign (segid c and resid 34 and name HA ) (segid c and resid 39 and name HN ) 4.0 2.2 2.0 ! A.273 at 5.84e+05 assign (segid c and resid 34 and name HA ) (segid c and resid 39 and name HB ) 4.0 2.2 1.0 ! B.855 at 2.03e+06 assign (segid c and resid 34 and name HA ) (segid c and resid 39 and name HG2# ) 4.0 2.2 1.5 ! B.851 at 1.74e+06 assign (segid c and resid 34 and name HD# ) (segid c and resid 39 and name HG1# ) 4.0 2.2 1.5 ! B.836 at 7.19e+06 constraint loosened assign (segid c and resid 34 and name HA ) (segid c and resid 39 and name HG1# ) 4.0 2.2 2.5 ! B.844 at 9.10e+05 assign (segid c and resid 34 and name HB# ) (segid c and resid 39 and name HG2# ) 4.0 2.2 1.5 ! B.691 at 2.57e+06 assign (segid c and resid 34 and name HB# ) (segid c and resid 39 and name HG1# ) 4.0 2.2 2.5 ! D.425 at -2.87e+05 assign (segid c and resid 34 and name HB# ) (segid c and resid 39 and name HB ) 4.0 2.2 1.0 ! B.144 at -1.80e+06 assign (segid c and ((resid 34 and name HD# ) or (resid 33 and name HD# ))) (segid c and resid 39 and name HB ) 4.0 2.2 1.0 ! B.148 at -3.04e+06 ! N35 assign (segid c and resid 35 and name HD2# ) (segid c and resid 35 and name HN ) 4.0 2.2 1.0 ! A.233 at 6.42e+05 assign (segid c and resid 35 and name HB# ) (segid c and resid 35 and name HN ) 2.5 0.7 0.4 ! A.239 at 5.80e+06 assign (segid c and resid 35 and name HB# ) (segid c and resid 35 and name HD2# ) 3.0 1.2 0.3 ! C.298 at -4.64e+06 assign (segid c and resid 35 and name HA ) (segid c and resid 35 and name HD2# ) 2.5 0.7 0.2 ! C.297 at 1.33e+07 assign (segid c and resid 35 and name HB# ) (segid c and resid 36 and name HN ) 3.0 1.2 0.5 ! A.246 at 3.82e+06 assign (segid c and resid 35 and name HA ) (segid c and resid 39 and name HN ) 4.0 2.2 1.0 ! A.269 at 2.49e+06 lowered assign (segid c and resid 35 and name HB# ) (segid c and resid 39 and name HN ) 4.0 2.2 2.0 ! C.180 at -1.61e+06 assign (segid c and resid 35 and name HD2# ) (segid c and resid 40 and name HA ) 3.0 1.2 0.3 ! A.492 at 2.17e+06 assign (segid c and resid 35 and name HA ) (segid c and resid 40 and name HA ) 4.0 2.2 1.0 ! B.1571 at 1.21e+06 assign (segid c and ((resid 35 and name HA ) or (resid 42 and name HA ))) (segid c and resid 40 and name HA ) 4.0 2.2 2.0 ! B.1275 at -1.08e+06 assign (segid c and resid 35 and name HD2# ) (segid c and resid 40 and name HB# ) 4.0 2.2 1.0 ! C.296 at -2.03e+06 ! D36 assign (segid c and resid 36 and name HB# ) (segid c and resid 36 and name HN ) 3.0 1.2 0.5 ! A.248 at 3.17e+06 assign (segid c and resid 36 and name HN ) (segid c and resid 37 and name HN ) 3.0 1.2 0.5 ! A.242 at 2.62e+06 assign (segid c and resid 36 and name HA ) (segid c and resid 37 and name HN ) 4.0 2.2 1.0 ! A.124 at 1.07e+06 assign (segid c and resid 36 and name HB# ) (segid c and resid 37 and name HN ) 4.0 2.2 1.0 ! A.575 at 7.97e+05 assign (segid c and resid 36 and name HB# ) (segid c and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.488 at 3.07e+05 ! N37 assign (segid c and resid 37 and name HD2# ) (segid c and resid 37 and name HN ) 4.0 2.2 2.0 ! A.122 at 6.36e+05 assign (segid c and resid 37 and name HB# ) (segid c and resid 37 and name HD2# ) 4.0 2.2 1.0 ! A.489 at 1.18e+06 assign (segid c and resid 37 and name HB# ) (segid c and resid 37 and name HN ) 4.0 2.2 1.0 ! B.530 at -2.75e+06 assign (segid c and resid 37 and name HA ) (segid c and resid 37 and name HD2# ) 4.0 2.2 2.0 ! C.312 at 1.56e+06 assign (segid c and resid 37 and name HN ) (segid c and resid 38 and name HN ) 3.0 1.2 0.5 ! A.118 at 3.26e+06 assign (segid c and resid 37 and name HN ) (segid c and resid 38 and name HA# ) 4.0 2.2 2.0 ! A.617 at 3.45e+05 assign (segid c and resid 37 and name HB# ) (segid c and resid 38 and name HN ) 4.0 2.2 2.0 ! A.263 at 4.96e+05 assign (segid c and resid 37 and name HA ) (segid c and resid 38 and name HN ) 4.0 2.2 1.0 ! A.579 at 1.29e+06 assign (segid c and resid 37 and name HN ) (segid c and resid 39 and name HN ) 4.0 2.2 1.0 ! A.267 at 9.48e+05 assign (segid c and resid 37 and name HN ) (segid c and resid 39 and name HG2# ) 4.0 2.2 2.5 ! A.254 at 4.16e+05 assign (segid c and resid 37 and name HD2# ) (segid c and resid 39 and name HA ) 4.0 2.2 2.0 ! C.311 at 1.47e+06 assign (segid c and resid 37 and name HB# ) (segid c and resid 39 and name HG2# ) 4.0 2.2 2.5 ! E.894 at -4.28e+05 assign (segid c and ((resid 37 and name HN ) or (resid 35 and name HD2# ))) (segid c and resid 40 and name HB# ) 4.0 2.2 2.0 ! B.808 at -9.78e+05 ! G38 assign (segid c and resid 38 and name HA# ) (segid c and resid 39 and name HN ) 4.0 2.2 1.0 ! A.272 at 1.40e+06 assign (segid c and resid 38 and name HN ) (segid c and resid 39 and name HN ) 3.0 1.2 0.5 ! A.266 at 3.12e+06 assign (segid c and resid 38 and name HN ) (segid c and resid 39 and name HA ) 4.0 2.2 2.0 ! A.598 at 5.38e+05 assign (segid c and resid 38 and name HN ) (segid c and resid 39 and name HG2# ) 4.0 2.2 2.5 ! A.264 at 4.99e+05 ! V39 assign (segid c and resid 39 and name HB ) (segid c and resid 39 and name HN ) 3.0 1.2 0.5 ! A.275 at 3.76e+06 assign (segid c and resid 39 and name HG2# ) (segid c and resid 39 and name HN ) 3.0 1.2 1.0 ! A.276 at 4.04e+06 assign (segid c and resid 39 and name HG1# ) (segid c and resid 39 and name HA ) 2.5 0.7 0.7 ! B.837 at 1.02e+07 assign (segid c and resid 39 and name HG1# ) (segid c and resid 39 and name HN ) 4.0 2.2 1.5 ! B.846 at 2.73e+06 assign (segid c and resid 39 and name HA ) (segid c and resid 39 and name HG2# ) 3.0 1.2 0.8 ! B.1467 at 9.24e+06 assign (segid c and resid 39 and name HA ) (segid c and resid 40 and name HN ) 2.5 0.7 0.4 ! A.278 at 5.27e+06 assign (segid c and resid 39 and name HA ) (segid c and resid 40 and name HA ) 4.0 2.2 1.0 ! B.1274 at -1.21e+06 assign (segid c and resid 39 and name HN ) (segid c and resid 40 and name HN ) 4.0 2.2 2.0 ! A.265 at 5.04e+05 assign (segid c and resid 39 and name HG1# ) (segid c and resid 40 and name HN ) 3.0 1.2 1.0 ! B.848 at 6.80e+06 assign (segid c and resid 39 and name HG2# ) (segid c and resid 40 and name HB# ) 4.0 2.2 2.5 ! B.817 at -8.59e+05 assign (segid c and resid 39 and name HA ) (segid c and resid 40 and name HB# ) 4.0 2.2 1.0 ! B.814 at -1.53e+06 assign (segid c and resid 39 and name HG1# ) (segid c and resid 40 and name HA ) 4.0 2.2 2.5 ! B.1624 at 6.69e+05 assign (segid c and resid 39 and name HB ) (segid c and resid 40 and name HN ) 4.0 2.2 2.0 ! B.150 at -7.43e+05 assign (segid c and resid 39 and name HG2# ) (segid c and resid 40 and name HN ) 3.0 1.2 1.0 ! C.185 at 6.19e+06 ! D40 assign (segid c and resid 40 and name HB# ) (segid c and resid 40 and name HN ) 3.0 1.2 0.5 ! A.279 at 1.84e+06 assign (segid c and resid 40 and name HA ) (segid c and resid 41 and name HN ) 2.5 0.7 0.4 ! A.286 at 7.94e+06 assign (segid c and resid 40 and name HB# ) (segid c and resid 41 and name HN ) 4.0 2.2 1.0 ! A.291 at 1.46e+06 assign (segid c and resid 40 and name HN ) (segid c and resid 41 and name HN ) 4.0 2.2 2.0 ! A.282 at 4.56e+05 assign (segid c and resid 40 and name HA ) (segid c and resid 41 and name HA# ) 4.0 2.2 2.0 ! B.1273 at -1.09e+06 assign (segid c and resid 40 and name HB# ) (segid c and resid 41 and name HA# ) 4.0 2.2 2.0 ! B.1670 at -6.06e+05 ! G41 assign (segid c and resid 41 and name HA# ) (segid c and resid 42 and name HN ) 3.0 1.2 0.5 ! A.300 at 4.09e+06 assign (segid c and resid 41 and name HN ) (segid c and resid 42 and name HN ) 4.0 2.2 1.0 ! A.296 at 8.36e+05 ! E42 assign (segid c and resid 42 and name HB# ) (segid c and resid 42 and name HN ) 4.0 2.2 1.0 ! B.121 at -1.76e+06 assign (segid c and resid 42 and name HA ) (segid c and resid 42 and name HG# ) 4.0 2.2 1.0 ! B.1345 at 2.25e+06 assign (segid c and resid 42 and name HG# ) (segid c and resid 42 and name HN ) 4.0 2.2 1.0 ! C.201 at -2.41e+06 assign (segid c and resid 42 and name HB# ) (segid c and resid 43 and name HN ) 4.0 2.2 1.0 ! A.317 at 1.77e+06 assign (segid c and resid 42 and name HA ) (segid c and resid 43 and name HN ) 2.5 0.7 0.4 ! A.312 at 7.13e+06 assign (segid c and resid 42 and name HN ) (segid c and resid 43 and name HN ) 4.0 2.2 2.0 ! A.308 at 3.90e+05 assign (segid c and resid 42 and name HA ) (segid c and resid 43 and name HD1 ) 4.0 2.2 1.0 ! B.22 at 1.20e+06 assign (segid c and resid 42 and name HG# ) (segid c and resid 43 and name HN ) 4.0 2.2 2.0 ! B.186 at -1.14e+06 assign (segid c and resid 42 and name HA ) (segid c and resid 43 and name HB# ) 4.0 2.2 2.0 ! B.1298 at 5.76e+05 assign (segid c and resid 42 and name HB# ) (segid c and resid 44 and name HG2# ) 4.0 2.2 1.5 ! B.116 at -1.74e+06 ! W43 !assign (segid c and resid 43 and name HH2 ) (segid c and resid 43 and name HE1 ) 4.0 2.2 2.0 ! A.535 at 3.72e+05 !assign (segid c and resid 43 and name HD1 ) (segid c and resid 43 and name HN ) 3.0 1.2 0.5 ! A.307 at 2.39e+06 !assign (segid c and resid 43 and name HB# ) (segid c and resid 43 and name HN ) 4.0 2.2 1.0 ! A.314 at 1.76e+06 !assign (segid c and resid 43 and name HB# ) (segid c and resid 43 and name HD1 ) 4.0 2.2 1.0 ! B.1184 at 1.54e+06 !assign (segid c and resid 43 and name HZ3 ) (segid c and resid 43 and name HH2 ) 4.0 2.2 1.0 ! B.613 at -1.94e+06 !assign (segid c and resid 43 and name HE3 ) (segid c and resid 43 and name HB# ) 4.0 2.2 1.0 ! B.397 at -1.15e+06 !assign (segid c and resid 43 and name HE3 ) (segid c and resid 43 and name HA ) 4.0 2.2 1.0 ! B.352 at -1.31e+06 assign (segid c and resid 43 and name HN ) (segid c and resid 44 and name HN ) 4.0 2.2 2.0 ! A.305 at 4.45e+05 assign (segid c and resid 43 and name HE3 ) (segid c and resid 44 and name HN ) 4.0 2.2 1.0 ! A.322 at 9.25e+05 assign (segid c and resid 43 and name HA ) (segid c and resid 44 and name HN ) 2.5 0.7 0.4 ! A.323 at 5.62e+06 assign (segid c and resid 43 and name HB# ) (segid c and resid 44 and name HN ) 4.0 2.2 2.0 ! A.328 at 4.82e+05 assign (segid c and resid 43 and name HA ) (segid c and resid 44 and name HB ) 4.0 2.2 2.0 ! B.1606 at 6.52e+05 assign (segid c and resid 43 and name HA ) (segid c and resid 44 and name HG2# ) 4.0 2.2 1.5 ! B.727 at 1.68e+06 assign (segid c and resid 43 and name HN ) (segid c and resid 44 and name HG2# ) 4.0 2.2 2.5 ! B.1503 at 6.50e+05 assign (segid c and resid 43 and name HA ) (segid c and resid 45 and name HN ) 4.0 2.2 2.0 ! C.450 at 1.34e+06 ! T44 assign (segid c and resid 44 and name HB ) (segid c and resid 44 and name HN ) 4.0 2.2 1.0 ! A.326 at 6.41e+05 assign (segid c and resid 44 and name HA ) (segid c and resid 44 and name HG2# ) 2.5 0.7 0.7 ! B.1040 at 1.08e+07 assign (segid c and resid 44 and name HG2# ) (segid c and resid 44 and name HN ) 4.0 2.2 1.5 ! C.218 at 4.47e+06 assign (segid c and resid 44 and name HG2# ) (segid c and resid 45 and name HN ) 3.0 1.2 1.0 ! A.336 at 1.99e+06 assign (segid c and resid 44 and name HB ) (segid c and resid 45 and name HN ) 3.0 1.2 0.5 ! A.600 at 2.88e+06 assign (segid c and resid 44 and name HN ) (segid c and resid 45 and name HN ) 4.0 2.2 2.0 ! A.320 at 4.77e+05 assign (segid c and resid 44 and name HB ) (segid c and resid 45 and name HD# ) 4.0 2.2 2.0 ! B.1500 at 6.33e+05 assign (segid c and resid 44 and name HB ) (segid c and resid 45 and name HB# ) 4.0 2.2 2.0 ! B.1498 at 9.99e+05 assign (segid c and resid 44 and name HG2# ) (segid c and resid 45 and name HD# ) 4.0 2.2 1.5 ! B.710 at 1.31e+06 assign (segid c and resid 44 and name HA ) (segid c and resid 45 and name HN ) 2.5 0.7 0.4 ! B.439 at 1.15e+07 assign (segid c and resid 44 and name HA ) (segid c and resid 45 and name HE# ) 4.0 2.2 2.0 ! D.168 at -2.88e+05 ! Y45 assign (segid c and resid 45 and name HB# ) (segid c and resid 45 and name HN ) 3.0 1.2 0.5 ! A.334 at 2.30e+06 assign (segid c and resid 45 and name HD# ) (segid c and resid 45 and name HN ) 4.0 2.2 1.0 ! A.332 at 1.45e+06 assign (segid c and resid 45 and name HD# ) (segid c and resid 45 and name HA ) 4.0 2.2 1.0 ! B.67 at -1.83e+06 assign (segid c and resid 45 and name HB# ) (segid c and resid 45 and name HD# ) 4.0 2.2 1.0 ! B.76 at -2.91e+06 assign (segid c and resid 45 and name HE# ) (segid c and resid 45 and name HB# ) 4.0 2.2 2.0 ! B.206 at -1.11e+06 assign (segid c and resid 45 and name HE# ) (segid c and resid 45 and name HN ) 4.0 2.2 2.0 ! B.214 at -9.00e+05 assign (segid c and resid 45 and name HE# ) (segid c and resid 45 and name HA ) 4.0 2.2 1.0 ! D.538 at -4.03e+05 assign (segid c and resid 45 and name HA ) (segid c and resid 46 and name HB# ) 4.0 2.2 2.0 ! B.447 at 8.59e+05 assign (segid c and resid 45 and name HA ) (segid c and resid 46 and name HN ) 3.0 1.2 0.5 ! C.224 at 1.31e+07 constraint loosened assign (segid c and resid 45 and name HB# ) (segid c and resid 46 and name HN ) 4.0 2.2 1.0 ! C.226 at -2.70e+06 ! D46 assign (segid c and resid 46 and name HB# ) (segid c and resid 46 and name HN ) 4.0 2.2 1.0 ! B.1294 at -2.75e+06 assign (segid c and resid 46 and name HA ) (segid c and resid 47 and name HN ) 2.5 0.7 0.4 ! A.351 at 8.31e+06 ! D47 assign (segid c and resid 47 and name HB# ) (segid c and resid 47 and name HN ) 2.5 0.7 0.4 ! C.232 at -1.54e+07 assign (segid c and resid 47 and name HA ) (segid c and resid 48 and name HN ) 2.5 0.7 0.4 ! A.357 at 1.00e+07 assign (segid c and resid 47 and name HN ) (segid c and resid 48 and name HN ) 4.0 2.2 2.0 ! A.355 at 5.75e+05 assign (segid c and resid 47 and name HB# ) (segid c and resid 48 and name HA ) 4.0 2.2 2.0 ! B.1481 at -5.93e+05 assign (segid c and resid 47 and name HB# ) (segid c and resid 48 and name HB# ) 4.0 2.2 1.5 ! B.1314 at 1.80e+06 assign (segid c and resid 47 and name HA ) (segid c and resid 48 and name HB# ) 4.0 2.2 1.5 ! B.548 at 5.84e+06 lowered assign (segid c and resid 47 and name HA ) (segid c and resid 48 and name HA ) 4.0 2.2 1.0 ! B.1598 at 2.33e+06 assign (segid c and resid 47 and name HB# ) (segid c and resid 48 and name HN ) 4.0 2.2 1.0 ! C.234 at -2.46e+06 ! A48 assign (segid c and resid 48 and name HB# ) (segid c and resid 48 and name HN ) 2.5 0.7 0.9 ! C.235 at 1.98e+07 assign (segid c and resid 48 and name HA ) (segid c and resid 49 and name HB ) 4.0 2.2 1.0 ! B.1236 at 1.45e+06 assign (segid c and resid 48 and name HB# ) (segid c and resid 49 and name HB ) 4.0 2.2 1.5 ! B.1343 at 1.30e+06 assign (segid c and resid 48 and name HB# ) (segid c and resid 49 and name HA ) 4.0 2.2 1.5 ! B.547 at 1.51e+06 assign (segid c and resid 48 and name HA ) (segid c and resid 49 and name HA ) 4.0 2.2 2.0 ! B.537 at 9.19e+05 assign (segid c and resid 48 and name HB# ) (segid c and resid 49 and name HN ) 2.5 0.7 0.9 ! C.236 at 1.53e+07 assign (segid c and resid 48 and name HA ) (segid c and resid 49 and name HN ) 3.0 1.2 0.5 ! C.25 at -2.34e+07 constaint loosened assign (segid c and resid 48 and name HB# ) (segid c and resid 50 and name HA ) 4.0 2.2 2.5 ! D.631 at 3.28e+05 ! T49 assign (segid c and resid 49 and name HA ) (segid c and resid 49 and name HG2# ) 3.0 1.2 0.8 ! B.532 at 4.86e+06 assign (segid c and resid 49 and name HB ) (segid c and resid 49 and name HN ) 4.0 2.2 1.0 ! C.24 at 6.35e+06 constraint loosened assign (segid c and resid 49 and name HB ) (segid c and resid 50 and name HN ) 4.0 2.2 1.0 ! B.1232 at 1.50e+06 assign (segid c and resid 49 and name HA ) (segid c and resid 50 and name HE# ) 4.0 2.2 1.0 ! B.535 at 2.73e+06 assign (segid c and resid 49 and name HA ) (segid c and resid 50 and name HN ) 3.0 1.2 0.5 ! B.539 at 7.55e+06 ! K50 assign (segid c and resid 50 and name HG# ) (segid c and resid 50 and name HN ) 4.0 2.2 2.0 ! A.348 at 5.85e+05 assign (segid c and resid 50 and name HD# ) (segid c and resid 50 and name HA ) 4.0 2.2 2.0 ! B.1472 at 7.87e+05 assign (segid c and resid 50 and name HG# ) (segid c and resid 50 and name HE# ) 4.0 2.2 1.0 ! B.1041 at 2.49e+06 assign (segid c and resid 50 and name HG# ) (segid c and resid 50 and name HA ) 4.0 2.2 1.0 ! B.1037 at 1.56e+06 assign (segid c and resid 50 and name HE# ) (segid c and resid 50 and name HN ) 4.0 2.2 2.0 ! B.646 at -5.39e+05 assign (segid c and resid 50 and name HB# ) (segid c and resid 50 and name HD# ) 4.0 2.2 2.0 ! D.444 at -3.36e+05 assign (segid c and resid 50 and name HG# ) (segid c and resid 51 and name HN ) 4.0 2.2 2.0 ! A.378 at 3.74e+05 assign (segid c and resid 50 and name HA ) (segid c and resid 51 and name HB ) 4.0 2.2 2.0 ! B.1168 at 1.04e+06 assign (segid c and resid 50 and name HA ) (segid c and resid 51 and name HN ) 3.0 1.2 0.5 ! B.156 at 4.83e+06 assign (segid c and resid 50 and name HB# ) (segid c and resid 51 and name HN ) 4.0 2.2 2.0 ! C.372 at -1.48e+06 ! T51 assign (segid c and resid 51 and name HG2# ) (segid c and resid 51 and name HA ) 2.5 0.7 0.7 ! B.784 at 1.04e+07 assign (segid c and resid 51 and name HB ) (segid c and resid 51 and name HN ) 3.0 1.2 0.5 ! C.481 at 4.65e+06 assign (segid c and resid 51 and name HA ) (segid c and resid 52 and name HN ) 2.5 0.7 0.4 ! A.383 at 5.33e+06 assign (segid c and resid 51 and name HN ) (segid c and resid 52 and name HN ) 4.0 2.2 2.0 ! A.368 at 3.17e+05 assign (segid c and resid 51 and name HB ) (segid c and resid 52 and name HN ) 4.0 2.2 1.0 ! B.1170 at 1.27e+06 assign (segid c and resid 51 and name HA ) (segid c and resid 52 and name HB# ) 4.0 2.2 2.0 ! B.464 at 6.38e+05 ! F52 assign (segid c and resid 52 and name HD# ) (segid c and resid 52 and name HN ) 4.0 2.2 1.0 ! A.384 at 8.36e+05 assign (segid c and resid 52 and name HB# ) (segid c and resid 52 and name HN ) 4.0 2.2 1.0 ! A.387 at 1.75e+06 assign (segid c and resid 52 and name HD# ) (segid c and resid 52 and name HB# ) 4.0 2.2 1.0 ! B.1086 at -2.30e+06 assign (segid c and resid 52 and name HD# ) (segid c and resid 52 and name HA ) 4.0 2.2 1.0 ! B.1084 at -1.80e+06 assign (segid c and resid 52 and name HD# ) (segid c and resid 52 and name HZ ) 4.0 2.2 2.0 ! B.1076 at -7.94e+05 assign (segid c and resid 52 and name HE# ) (segid c and resid 53 and name HN ) 4.0 2.2 2.0 ! A.576 at 3.18e+05 assign (segid c and resid 52 and name HB# ) (segid c and resid 53 and name HN ) 4.0 2.2 2.0 ! A.397 at 4.48e+05 assign (segid c and resid 52 and name HD# ) (segid c and resid 53 and name HN ) 4.0 2.2 1.0 ! A.393 at 1.11e+06 assign (segid c and resid 52 and name HA ) (segid c and resid 53 and name HN ) 3.0 1.2 0.5 ! B.394 at 3.71e+06 assign (segid c and resid 52 and name HE# ) (segid c and resid 54 and name HG2# ) 4.0 2.2 1.5 ! B.725 at 1.62e+06 assign (segid c and resid 52 and name HE# ) (segid c and resid 54 and name HA ) 4.0 2.2 2.0 ! B.1052 at -5.52e+05 assign (segid c and resid 52 and name HD# ) (segid c and resid 54 and name HG1# ) 4.0 2.2 1.5 ! B.724 at 1.24e+06 assign (segid c and resid 52 and name HD# ) (segid c and resid 54 and name HG2# ) 3.0 1.2 0.8 ! B.1325 at 3.46e+06 ! T53 assign (segid c and resid 53 and name HB ) (segid c and resid 53 and name HN ) 3.0 1.2 0.5 ! C.256 at 9.70e+06 assign (segid c and resid 53 and name HG2# ) (segid c and resid 53 and name HN ) 3.0 1.2 1.0 ! C.257 at 1.28e+07 assign (segid c and resid 53 and name HA ) (segid c and resid 54 and name HG2# ) 4.0 2.2 1.5 ! B.564 at 2.76e+06 assign (segid c and resid 53 and name HA ) (segid c and resid 54 and name HN ) 2.5 0.7 0.4 ! C.255 at 2.35e+07 ! V54 assign (segid c and resid 54 and name HA ) (segid c and resid 54 and name HG1# ) 3.0 1.2 0.8 ! B.631 at 5.62e+06 assign (segid c and resid 54 and name HB ) (segid c and resid 55 and name HN ) 3.0 1.2 0.5 ! A.412 at 1.82e+06 assign (segid c and resid 54 and name HG1# ) (segid c and resid 55 and name HN ) 3.0 1.2 1.0 ! C.264 at 7.25e+06 assign (segid c and resid 54 and name HA ) (segid c and resid 55 and name HN ) 2.5 0.7 0.4 ! C.262 at 2.06e+07 ! T55 assign (segid c and resid 55 and name HG2# ) (segid c and resid 55 and name HN ) 4.0 2.2 1.5 ! A.413 at 1.39e+06 assign (segid c and resid 55 and name HB ) (segid c and resid 55 and name HN ) 2.5 0.7 0.4 ! B.1133 at 1.02e+07 assign (segid c and resid 55 and name HB ) (segid c and resid 56 and name HN ) 4.0 2.2 1.0 ! A.420 at 1.57e+06 assign (segid c and resid 55 and name HN ) (segid c and resid 56 and name HN ) 4.0 2.2 1.0 ! A.416 at 1.16e+06 assign (segid c and resid 55 and name HG2# ) (segid c and resid 56 and name HN ) 3.0 1.2 1.0 ! B.1512 at 7.86e+06 assign (segid c and resid 55 and name HA ) (segid c and resid 56 and name HN ) 3.0 1.2 0.5 ! B.605 at 2.33e+07 constraint loosened assign (segid c and resid 55 and name HN ) (segid c and resid 56 and name HA ) 4.0 2.2 2.0 ! B.335 at 6.41e+05 ! E56 assign (segid c and resid 56 and name HB# ) (segid c and resid 56 and name HN ) 3.0 1.2 0.5 ! B.1251 at 3.47e+06 assign (segid c and resid 56 and name HG# ) (segid c and resid 56 and name HN ) 3.0 1.2 0.5 ! C.271 at -1.07e+07 assign (segid c and resid 56 and name HA ) (segid c and resid 56 and name HG# ) 3.0 1.2 0.3 ! D.284 at -1.85e+06 !@ END_XPLR_NOE_FILE ! pck2xplr.nawk Table; Input File: CC.PCK ! Date: Mon Aug 23 13:12:05 EDT 1999 ! Path: /net/kirsten1/sp2/hs124/N15noe_flip/noes/may13_8 ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A N15.PCK 241 49 107 45 40 ! B c13.PCK 357 83 84 82 108 ! C NC.PCK 89 23 23 15 28 ! D CC.PCK 62 17 5 11 29 ! Total 749 172 219 153 205 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! M1 assign (segid d and resid 1 and name HG# ) (segid d and resid 1 and name HA ) 4.0 2.2 1.0 ! B.1227 at 1.16e+06 assign (segid d and resid 1 and name HG# ) (segid d and resid 1 and name HE# ) 3.0 1.2 0.8 ! D.177 at 9.95e+05 assign (segid d and resid 1 and name HB# ) (segid d and resid 1 and name HE# ) 3.0 1.2 0.8 ! D.178 at 1.19e+06 assign (segid d and resid 1 and name HB# ) (segid d and resid 2 and name HN ) 4.0 2.2 2.0 ! B.31 at 7.19e+05 assign (segid d and resid 1 and name HE# ) (segid d and resid 2 and name HN ) 3.0 1.2 1.0 ! B.281 at 3.63e+06 assign (segid d and resid 1 and name HA ) (segid d and resid 2 and name HN ) 3.0 1.2 0.5 ! B.215 at 6.07e+06 assign (segid d and resid 1 and name HB# ) (segid d and resid 3 and name HE# ) 4.0 2.2 2.0 ! B.34 at 7.05e+05 assign (segid d and ((resid 1 and name HG# ) or (resid 2 and name HB# ))) (segid d and resid 3 and name HD# ) 4.0 2.2 2.0 ! B.1510 at 6.45e+05 assign (segid d and resid 1 and name HG# ) (segid d and resid 3 and name HE# ) 4.0 2.2 2.0 ! B.1224 at 7.50e+05 assign (segid d and resid 1 and name HE# ) (segid d and resid 3 and name HE# ) 4.0 2.2 1.5 ! B.278 at 2.26e+06 assign (segid d and resid 1 and name HE# ) (segid d and resid 3 and name HD# ) 4.0 2.2 2.5 ! B.1425 at 7.31e+05 ! Q2 assign (segid d and resid 2 and name HG# ) (segid d and resid 2 and name HE2# ) 4.0 2.2 1.0 ! B.195 at -1.35e+06 assign (segid d and resid 2 and name HG# ) (segid d and resid 2 and name HN ) 4.0 2.2 1.0 ! B.200 at -1.18e+06 assign (segid d and resid 2 and name HA ) (segid d and resid 2 and name HG# ) 4.0 2.2 2.0 ! D.645 at -3.51e+05 assign (segid d and resid 2 and name HB# ) (segid d and resid 3 and name HN ) 4.0 2.2 1.0 ! A.13 at 8.34e+05 assign (segid d and resid 2 and name HA ) (segid d and resid 3 and name HN ) 3.0 1.2 0.5 ! A.536 at 4.21e+06 assign (segid d and resid 2 and name HA ) (segid d and resid 3 and name HD# ) 4.0 2.2 2.0 ! B.56 at -5.07e+05 assign (segid d and resid 2 and name HG# ) (segid d and resid 3 and name HN ) 4.0 2.2 2.0 ! B.201 at -5.49e+05 assign (segid d and resid 2 and name HG# ) (segid d and resid 4 and name HN ) 4.0 2.2 1.0 ! C.31 at -2.30e+06 ! Y3 assign (segid d and resid 3 and name HB# ) (segid d and resid 3 and name HN ) 4.0 2.2 1.0 ! A.12 at 1.54e+06 assign (segid d and resid 3 and name HD# ) (segid d and resid 3 and name HN ) 4.0 2.2 1.0 ! A.8 at 1.64e+06 assign (segid d and resid 3 and name HD# ) (segid d and resid 3 and name HB# ) 4.0 2.2 1.0 ! B.55 at -2.64e+06 assign (segid d and resid 3 and name HD# ) (segid d and resid 3 and name HA ) 4.0 2.2 1.0 ! B.57 at -1.61e+06 assign (segid d and resid 3 and name HE# ) (segid d and resid 3 and name HA ) 4.0 2.2 2.0 ! D.593 at -3.12e+05 assign (segid d and resid 3 and name HD# ) (segid d and resid 4 and name HN ) 4.0 2.2 2.0 ! A.20 at 4.84e+05 assign (segid d and resid 3 and name HA ) (segid d and resid 4 and name HN ) 3.0 1.2 0.5 ! A.23 at 4.32e+06 assign (segid d and resid 3 and name HB# ) (segid d and resid 4 and name HN ) 4.0 2.2 2.0 ! A.24 at 6.19e+05 assign (segid d and resid 3 and name HN ) (segid d and resid 4 and name HA ) 4.0 2.2 2.0 ! A.10 at 3.16e+05 assign (segid d and resid 3 and name HD# ) (segid d and resid 4 and name HA ) 4.0 2.2 2.0 ! B.59 at -8.49e+05 assign (segid d and resid 3 and name HA ) (segid d and resid 4 and name HB# ) 4.0 2.2 2.0 ! B.229 at -5.91e+05 ! K4 ! V5 assign (segid d and resid 5 and name HG* ) (segid d and resid 5 and name HN ) 4.0 2.2 1.5 ! A.37 at 8.73e+05 assign (segid d and resid 5 and name HB ) (segid d and resid 5 and name HN ) 4.0 2.2 1.0 ! A.40 at 1.80e+06 assign (segid d and resid 5 and name HA ) (segid d and resid 5 and name HG* ) 3.0 1.2 0.8 ! B.1293 at 3.51e+06 assign (segid d and resid 5 and name HA ) (segid d and resid 6 and name HN ) 2.5 0.7 0.4 ! A.42 at 6.88e+06 assign (segid d and resid 5 and name HG* ) (segid d and resid 6 and name HN ) 3.0 1.2 1.0 ! B.666 at 6.22e+06 assign (segid d and resid 5 and name HG* ) (segid d and resid 7 and name HD* ) 4.0 2.2 2.0 ! D.497 at 6.48e+05 ! I6 assign (segid d and resid 6 and name HG1# ) (segid d and resid 6 and name HN ) 4.0 2.2 2.0 ! B.1120 at 1.00e+06 assign (segid d and resid 6 and name HG1# ) (segid d and resid 6 and name HA ) 4.0 2.2 1.0 ! D.11 at 3.85e+05 assign (segid d and resid 6 and name HB ) (segid d and resid 6 and name HN ) 4.0 2.2 1.0 ! B.1639 at -2.31e+06 assign (segid d and resid 6 and name HG2# ) (segid d and resid 6 and name HN ) 4.0 2.2 1.5 ! B.400 at 1.71e+06 assign (segid d and resid 6 and name HD# ) (segid d and resid 6 and name HA ) 4.0 2.2 1.5 ! B.1346 at 2.00e+06 assign (segid d and resid 6 and name HD# ) (segid d and resid 6 and name HN ) 4.0 2.2 1.5 ! B.166 at 1.91e+06 assign (segid d and resid 6 and name HG2# ) (segid d and resid 6 and name HA ) 3.0 1.2 0.8 ! D.10 at 1.59e+06 assign (segid d and resid 6 and name HD# ) (segid d and resid 6 and name HB ) 3.0 1.2 0.8 ! D.16 at -1.31e+06 assign (segid d and resid 6 and name HN ) (segid d and resid 7 and name HN ) 4.0 2.2 2.0 ! A.41 at 3.54e+05 assign (segid d and resid 6 and name HG1# ) (segid d and resid 7 and name HN ) 4.0 2.2 2.0 ! A.54 at 4.61e+05 assign (segid d and resid 6 and name HG2# ) (segid d and resid 7 and name HN ) 3.0 1.2 1.0 ! A.55 at 2.54e+06 assign (segid d and resid 6 and name HA ) (segid d and resid 7 and name HN ) 2.5 0.7 0.4 ! A.50 at 6.92e+06 assign (segid d and resid 6 and name HD# ) (segid d and resid 7 and name HN ) 4.0 2.2 2.5 ! B.167 at 8.13e+05 assign (segid d and resid 6 and name HG2# ) (segid d and resid 8 and name HN ) 4.0 2.2 1.5 ! A.63 at 9.94e+05 assign (segid d and resid 6 and name HG2# ) (segid d and resid 8 and name HD2# ) 4.0 2.2 1.5 ! A.518 at 6.40e+05 assign (segid d and resid 6 and name HG2# ) (segid d and resid 8 and name HA ) 4.0 2.2 1.5 ! B.1 at -1.39e+06 ! L7 assign (segid d and resid 7 and name HB# ) (segid d and resid 7 and name HN ) 3.0 1.2 0.5 ! A.52 at 2.68e+06 assign (segid d and resid 7 and name HG ) (segid d and resid 7 and name HN ) 4.0 2.2 1.0 ! A.53 at 1.07e+06 assign (segid d and resid 7 and name HD* ) (segid d and resid 7 and name HN ) 4.0 2.2 2.5 ! A.57 at 5.94e+05 assign (segid d and resid 7 and name HG ) (segid d and resid 7 and name HA ) 4.0 2.2 2.0 ! B.1548 at 7.46e+05 assign (segid d and resid 7 and name HD* ) (segid d and resid 7 and name HB# ) 4.0 2.2 1.5 ! B.960 at 8.81e+06 assign (segid d and resid 7 and name HA ) (segid d and resid 7 and name HD* ) 4.0 2.2 2.5 ! B.1299 at 3.38e+06 assign (segid d and resid 7 and name HB# ) (segid d and resid 8 and name HN ) 4.0 2.2 1.0 ! A.62 at 1.16e+06 !assign (segid d and resid 7 and name HD* ) (segid d and resid 8 and name HN ) 4.0 2.2 1.5 ! A.64 at 9.20e+05 !assign (segid d and resid 7 and name HD* ) !(segid d and resid 8 and name HA ) 4.0 2.2 1.5 ! D.729 at -1.05e+06 constraint loosened !assign (segid d and resid 7 and name HB# ) (segid d and resid 8 and name HA ) 4.0 2.2 1.0 ! D.67 at -4.25e+05 ! N8 assign (segid d and resid 8 and name HB# ) (segid d and resid 8 and name HD2# ) 3.0 1.2 0.3 ! A.515 at 2.38e+06 assign (segid d and resid 8 and name HA ) (segid d and resid 8 and name HD2# ) 4.0 2.2 2.0 ! C.279 at 1.38e+06 assign (segid d and resid 8 and name HN ) (segid d and resid 9 and name HN ) 4.0 2.2 1.0 ! A.58 at 7.99e+05 assign (segid d and resid 8 and name HB# ) (segid d and resid 9 and name HN ) 4.0 2.2 1.0 ! A.70 at 1.36e+06 assign (segid d and resid 8 and name HA ) (segid d and resid 9 and name HN ) 3.0 1.2 0.5 ! A.67 at 2.25e+06 assign (segid d and resid 8 and name HN ) (segid d and resid 10 and name HN ) 4.0 2.2 2.0 ! A.587 at 3.22e+05 ! G9 assign (segid d and resid 9 and name HA# ) (segid d and resid 10 and name HN ) 2.5 0.7 0.4 ! A.73 at 5.80e+06 assign (segid d and resid 9 and name HN ) (segid d and resid 10 and name HN ) 4.0 2.2 1.0 ! A.83 at 9.65e+05 ! K10 assign (segid d and resid 10 and name HA ) (segid d and resid 10 and name HG# ) 3.0 1.2 0.3 ! B.230 at 5.19e+06 assign (segid d and resid 10 and name HB# ) (segid d and resid 10 and name HN ) 3.0 1.2 0.5 ! C.56 at -1.08e+07 assign (segid d and resid 10 and name HA ) (segid d and resid 11 and name HN ) 2.5 0.7 0.4 ! A.84 at 6.81e+06 assign (segid d and resid 10 and name HA ) (segid d and resid 11 and name HG2# ) 4.0 2.2 1.5 ! B.235 at 1.87e+06 assign (segid d and resid 10 and name HB# ) (segid d and resid 11 and name HN ) 4.0 2.2 1.0 ! C.20 at -3.99e+06 ! T11 assign (segid d and resid 11 and name HG2# ) (segid d and resid 11 and name HN ) 3.0 1.2 1.0 ! A.87 at 2.86e+06 assign (segid d and resid 11 and name HG2# ) (segid d and resid 12 and name HD* ) 4.0 2.2 2.0 ! B.1031 at 2.56e+06 assign (segid d and resid 11 and name HA ) (segid d and resid 12 and name HN ) 2.5 0.7 0.4 ! C.63 at 3.12e+07 ! L12 assign (segid d and resid 12 and name HG ) (segid d and resid 12 and name HN ) 4.0 2.2 1.0 ! B.1078 at 1.75e+06 assign (segid d and resid 12 and name HG ) (segid d and resid 12 and name HA ) 4.0 2.2 1.0 ! B.1079 at 1.46e+06 assign (segid d and resid 12 and name HD* ) (segid d and resid 12 and name HB# ) 3.0 1.2 0.8 ! B.1009 at 9.28e+06 assign (segid d and resid 12 and name HD* ) (segid d and resid 12 and name HA ) 3.0 1.2 0.8 ! B.904 at 8.24e+06 assign (segid d and resid 12 and name HD* ) (segid d and resid 12 and name HN ) 4.0 2.2 1.5 ! B.905 at 1.15e+06 assign (segid d and resid 12 and name HA ) (segid d and resid 13 and name HN ) 3.0 1.2 0.5 ! B.180 at 3.88e+06 assign (segid d and resid 12 and name HB# ) (segid d and resid 13 and name HN ) 4.0 2.2 1.0 ! C.71 at -3.05e+06 ! K13 assign (segid d and resid 13 and name HG# ) (segid d and resid 14 and name HN ) 4.0 2.2 1.0 ! A.104 at 6.38e+05 assign (segid d and resid 13 and name HN ) (segid d and resid 14 and name HA# ) 4.0 2.2 1.0 ! C.68 at -2.17e+06 assign (segid d and resid 13 and name HA ) (segid d and resid 14 and name HN ) 2.5 0.7 0.4 ! C.8 at 1.81e+07 ! G14 assign (segid d and resid 14 and name HN ) (segid d and resid 15 and name HG# ) 4.0 2.2 2.0 ! A.581 at 3.20e+05 assign (segid d and resid 14 and name HA# ) (segid d and resid 15 and name HN ) 4.0 2.2 1.0 ! C.13 at -3.18e+06 assign (segid d and resid 14 and name HA# ) (segid d and resid 16 and name HN ) 4.0 2.2 2.0 ! A.450 at 3.54e+05 ! E15 assign (segid d and resid 15 and name HG# ) (segid d and resid 15 and name HN ) 4.0 2.2 2.0 ! A.582 at 3.99e+05 assign (segid d and resid 15 and name HB# ) (segid d and resid 15 and name HN ) 4.0 2.2 2.0 ! A.583 at 5.70e+05 assign (segid d and resid 15 and name HG# ) (segid d and resid 16 and name HN ) 4.0 2.2 1.0 ! A.451 at 7.23e+05 assign (segid d and resid 15 and name HB# ) (segid d and resid 16 and name HN ) 4.0 2.2 1.0 ! A.452 at 1.25e+06 assign (segid d and resid 15 and name HA ) (segid d and resid 16 and name HN ) 2.5 0.7 0.4 ! C.17 at 4.12e+07 ! T16 assign (segid d and resid 16 and name HB ) (segid d and resid 16 and name HN ) 2.5 0.7 0.4 ! C.19 at 1.53e+07 ! T17 assign (segid d and resid 17 and name HB ) (segid d and resid 18 and name HN ) 2.5 0.7 0.4 ! C.23 at 2.29e+07 ! T18 assign (segid d and resid 18 and name HG2# ) (segid d and resid 18 and name HN ) 2.5 0.7 0.9 ! C.22 at 1.95e+07 ! E19 assign (segid d and resid 19 and name HB# ) (segid d and resid 19 and name HN ) 3.0 1.2 0.5 ! A.526 at 2.27e+06 assign (segid d and resid 19 and name HG# ) (segid d and resid 19 and name HN ) 3.0 1.2 0.5 ! A.527 at 2.61e+06 assign (segid d and resid 19 and name HB# ) (segid d and resid 20 and name HN ) 4.0 2.2 1.0 ! A.542 at 1.28e+06 assign (segid d and resid 19 and name HG# ) (segid d and resid 20 and name HN ) 4.0 2.2 1.0 ! A.543 at 9.59e+05 assign (segid d and resid 19 and name HN ) (segid d and resid 20 and name HB# ) 4.0 2.2 2.5 ! A.530 at 4.90e+05 assign (segid d and resid 19 and name HG# ) (segid d and resid 20 and name HB# ) 4.0 2.2 1.5 ! B.1410 at 1.79e+06 assign (segid d and resid 19 and name HA ) (segid d and resid 20 and name HN ) 2.5 0.7 0.4 ! C.72 at 2.45e+07 assign (segid d and resid 19 and name HB# ) (segid d and resid 21 and name HN ) 4.0 2.2 2.0 ! A.115 at 5.15e+05 assign (segid d and resid 19 and name HA ) (segid d and resid 21 and name HN ) 4.0 2.2 1.0 ! B.1415 at 1.40e+06 ! A20 assign (segid d and resid 20 and name HB# ) (segid d and resid 20 and name HN ) 2.5 0.7 0.9 ! A.107 at 8.84e+06 assign (segid d and resid 20 and name HN ) (segid d and resid 21 and name HN ) 3.0 1.2 0.5 ! A.544 at 3.10e+06 assign (segid d and resid 20 and name HA ) (segid d and resid 21 and name HA ) 4.0 2.2 1.0 ! B.19 at -1.61e+06 assign (segid d and resid 20 and name HA ) (segid d and resid 21 and name HN ) 3.0 1.2 0.5 ! B.10 at -9.23e+06 assign (segid d and resid 20 and name HA ) (segid d and resid 21 and name HG* ) 4.0 2.2 1.5 ! B.14 at -1.68e+06 assign (segid d and resid 20 and name HB# ) (segid d and resid 21 and name HA ) 4.0 2.2 1.5 ! B.1374 at 2.07e+06 assign (segid d and resid 20 and name HB# ) (segid d and resid 21 and name HN ) 3.0 1.2 1.0 ! B.544 at 8.50e+06 assign (segid d and resid 20 and name HB# ) (segid d and resid 21 and name HG* ) 4.0 2.2 2.0 ! D.659 at 4.91e+05 assign (segid d and resid 20 and name HB# ) (segid d and resid 22 and name HB# ) 4.0 2.2 1.5 ! B.1409 at 1.94e+06 assign (segid d and resid 20 and name HB# ) (segid d and resid 22 and name HA ) 4.0 2.2 2.5 ! B.551 at 1.01e+06 !assign (segid d and resid 20 and name HA ) (segid d and resid 23 and name HB# ) 4.0 2.2 2.5 ! B.453 at 8.95e+05 ! V21 assign (segid d and resid 21 and name HG* ) (segid d and resid 21 and name HN ) 3.0 1.2 1.0 ! A.112 at 3.72e+06 assign (segid d and resid 21 and name HA ) (segid d and resid 21 and name HG* ) 2.5 0.7 0.7 ! D.252 at 4.56e+06 assign (segid d and resid 21 and name HA ) (segid d and resid 22 and name HN ) 3.0 1.2 0.5 ! A.132 at 9.58e+06 constraint loosened assign (segid d and resid 21 and name HB ) (segid d and resid 22 and name HN ) 4.0 2.2 1.0 ! A.547 at 1.42e+06 assign (segid d and resid 21 and name HG* ) (segid d and resid 22 and name HA ) 4.0 2.2 2.5 ! B.769 at 7.69e+05 assign (segid d and resid 21 and name HG* ) (segid d and resid 22 and name HB# ) 4.0 2.2 1.5 ! B.765 at 3.04e+06 assign (segid d and resid 21 and name HG* ) (segid d and resid 22 and name HN ) 3.0 1.2 1.0 ! B.1342 at 4.41e+06 assign (segid d and resid 21 and name HA ) (segid d and resid 22 and name HB# ) 4.0 2.2 1.0 ! B.759 at -1.63e+06 !assign (segid d and resid 21 and name HA ) (segid d and resid 24 and name HB# ) 4.0 2.2 2.5 ! D.105 at 2.70e+05 assign (segid d and resid 21 and name HG* ) (segid d and resid 25 and name HB ) 4.0 2.2 2.5 ! B.1068 at 8.40e+05 assign (segid d and resid 21 and name HG* ) (segid d and ((resid 25 and name HG2# ) or (resid 20 and name HB# ))) 4.0 2.2 2.0 ! B.772 at 3.15e+06 assign (segid d and resid 21 and name HG* ) (segid d and resid 26 and name HB# ) 4.0 2.2 2.5 ! B.766 at 1.12e+06 ! D22 assign (segid d and resid 22 and name HB# ) (segid d and resid 22 and name HN ) 2.5 0.7 0.4 ! A.133 at 5.79e+06 assign (segid d and resid 22 and name HN ) (segid d and resid 23 and name HN ) 4.0 2.2 2.0 ! A.549 at 4.85e+05 assign (segid d and resid 22 and name HA ) (segid d and resid 23 and name HN ) 2.5 0.7 0.4 ! A.590 at 7.22e+06 assign (segid d and resid 22 and name HA ) (segid d and ((resid 23 and name HA ) or (resid 24 and name HA ))) 4.0 2.2 2.0 ! B.1653 at 7.17e+05 assign (segid d and resid 22 and name HB# ) (segid d and resid 23 and name HN ) 4.0 2.2 1.0 ! A.550 at 1.42e+06 assign (segid d and resid 22 and name HA ) (segid d and resid 23 and name HB# ) 3.0 1.2 0.8 ! B.449 at 4.48e+06 assign (segid d and resid 22 and name HA ) (segid d and resid 24 and name HN ) 4.0 2.2 1.0 ! A.555 at 1.49e+06 assign (segid d and resid 22 and name HB# ) (segid d and resid 24 and name HN ) 4.0 2.2 2.0 ! A.553 at 5.89e+05 assign (segid d and resid 22 and name HA ) (segid d and resid 24 and name HB# ) 4.0 2.2 2.5 ! B.1487 at 9.26e+05 assign (segid d and resid 22 and name HB# ) (segid d and resid 24 and name HB# ) 4.0 2.2 1.5 ! B.1489 at 1.62e+06 assign (segid d and resid 22 and name HB# ) (segid d and resid 25 and name HN ) 4.0 2.2 1.0 ! A.147 at 9.84e+05 assign (segid d and resid 22 and name HA ) (segid d and resid 25 and name HN ) 4.0 2.2 1.0 ! A.611 at 4.43e+06 constraint loosened assign (segid d and resid 22 and name HB# ) (segid d and resid 25 and name HB ) 3.0 1.2 0.3 ! B.1065 at 3.73e+06 assign (segid d and resid 22 and name HA ) (segid d and resid 25 and name HB ) 4.0 2.2 1.0 ! B.1609 at 2.23e+06 assign (segid d and resid 22 and name HN ) (segid d and resid 25 and name HB ) 4.0 2.2 2.0 ! B.1064 at 1.04e+06 assign (segid d and resid 22 and name HA ) (segid d and resid 25 and name HG2# ) 4.0 2.2 1.5 ! B.835 at 2.47e+06 assign (segid d and resid 22 and name HB# ) (segid d and resid 25 and name HG2# ) 3.0 1.2 0.8 ! B.827 at 4.27e+06 assign (segid d and resid 22 and name HA ) (segid d and resid 26 and name HN ) 4.0 2.2 2.0 ! A.562 at 4.78e+05 ! A23 assign (segid d and resid 23 and name HB# ) (segid d and resid 23 and name HN ) 2.5 0.7 0.9 ! A.137 at 5.66e+06 assign (segid d and resid 23 and name HN ) (segid d and resid 24 and name HN ) 4.0 2.2 1.0 ! A.135 at 1.52e+06 assign (segid d and resid 23 and name HN ) (segid d and resid 24 and name HB# ) 4.0 2.2 1.5 ! B.1484 at 1.46e+06 assign (segid d and resid 23 and name HB# ) (segid d and resid 26 and name HB# ) 4.0 2.2 1.5 ! B.455 at 2.48e+06 assign (segid d and resid 23 and name HB# ) (segid d and resid 26 and name HD# ) 4.0 2.2 2.5 ! B.452 at 6.61e+05 assign (segid d and resid 23 and name HA ) (segid d and resid 26 and name HB# ) 4.0 2.2 1.0 ! B.177 at 2.55e+06 assign (segid d and resid 23 and name HA ) (segid d and resid 26 and name HN ) 4.0 2.2 1.0 ! C.105 at 3.99e+06 assign (segid d and resid 23 and name HB# ) (segid d and resid 26 and name HN ) 4.0 2.2 1.5 ! C.101 at 2.20e+06 ! A24 assign (segid d and resid 24 and name HB# ) (segid d and resid 24 and name HN ) 2.5 0.7 0.9 ! A.142 at 9.12e+06 assign (segid d and resid 24 and name HN ) (segid d and resid 25 and name HN ) 3.0 1.2 0.5 ! A.140 at 3.36e+06 assign (segid d and resid 24 and name HN ) (segid d and resid 25 and name HB ) 4.0 2.2 2.0 ! B.1329 at 8.36e+05 assign (segid d and resid 24 and name HB# ) (segid d and resid 25 and name HB ) 4.0 2.2 1.5 ! B.1486 at 1.19e+06 assign (segid d and resid 24 and name HB# ) (segid d and resid 25 and name HN ) 2.5 0.7 0.9 ! B.1483 at 1.07e+07 assign (segid d and resid 24 and name HA ) (segid d and resid 25 and name HN ) 4.0 2.2 1.0 ! C.96 at 3.82e+06 assign (segid d and resid 24 and name HN ) (segid d and resid 27 and name HN ) 4.0 2.2 1.0 ! A.139 at 1.13e+06 assign (segid d and resid 24 and name HA ) (segid d and resid 27 and name HN ) 4.0 2.2 1.0 ! C.108 at 2.65e+06 assign (segid d and resid 24 and name HB# ) (segid d and resid 27 and name HA ) 4.0 2.2 2.5 ! D.778 at 3.17e+05 assign (segid d and resid 24 and name HA ) (segid d and resid 27 and name HA ) 4.0 2.2 2.0 ! D.574 at 2.65e+05 assign (segid d and ((resid 24 and name HA ) or (resid 23 and name HA ))) (segid d and resid 27 and name HG# ) 4.0 2.2 1.0 ! B.162 at 1.60e+06 assign (segid d and resid 24 and name HB# ) (segid d and resid 28 and name HE# ) 4.0 2.2 1.5 ! B.1490 at 2.05e+06 assign (segid d and resid 24 and name HB# ) (segid d and resid 28 and name HN ) 4.0 2.2 2.5 ! B.1485 at 8.08e+05 assign (segid d and resid 24 and name HA ) (segid d and resid 28 and name HN ) 4.0 2.2 2.0 ! C.428 at 1.48e+06 ! T25 assign (segid d and resid 25 and name HB ) (segid d and resid 25 and name HN ) 3.0 1.2 0.5 ! A.145 at 3.20e+06 assign (segid d and resid 25 and name HG2# ) (segid d and resid 25 and name HA ) 2.5 0.7 0.7 ! B.833 at 2.02e+07 assign (segid d and resid 25 and name HG2# ) (segid d and resid 25 and name HN ) 3.0 1.2 1.0 ! C.98 at 5.07e+06 assign (segid d and resid 25 and name HG2# ) (segid d and ((resid 25 and name HN ) or (resid 31 and name HN ))) 3.0 1.2 1.0 ! B.824 at 5.21e+06 assign (segid d and resid 25 and name HG2# ) (segid d and resid 26 and name HN ) 4.0 2.2 1.5 ! A.155 at 8.82e+05 assign (segid d and resid 25 and name HB ) (segid d and resid 26 and name HN ) 4.0 2.2 1.0 ! A.560 at 1.42e+06 assign (segid d and resid 25 and name HB ) (segid d and resid 26 and name HA ) 4.0 2.2 1.0 ! B.1066 at 1.15e+06 assign (segid d and resid 25 and name HG2# ) (segid d and resid 26 and name HD# ) 4.0 2.2 2.5 ! B.1634 at 6.15e+05 assign (segid d and resid 25 and name HG2# ) (segid d and resid 26 and name HB# ) 4.0 2.2 1.5 ! B.828 at 1.45e+06 assign (segid d and resid 25 and name HG2# ) (segid d and resid 26 and name HA ) 4.0 2.2 1.5 ! B.559 at 1.20e+06 assign (segid d and resid 25 and name HG2# ) (segid d and ((resid 26 and name HA ) or (resid 28 and name HE# ))) 3.0 1.2 0.8 ! B.826 at 4.16e+06 assign (segid d and resid 25 and name HA ) (segid d and resid 26 and name HN ) 4.0 2.2 1.0 ! C.103 at 2.25e+06 assign (segid d and resid 25 and name HA ) (segid d and resid 28 and name HD# ) 4.0 2.2 1.0 ! B.999 at 1.99e+06 assign (segid d and resid 25 and name HA ) (segid d and resid 28 and name HN ) 4.0 2.2 1.0 ! B.1421 at 1.71e+06 assign (segid d and resid 25 and name HG2# ) (segid d and resid 28 and name HN ) 4.0 2.2 1.5 ! B.821 at 1.26e+06 assign (segid d and resid 25 and name HA ) (segid d and resid 29 and name HN ) 4.0 2.2 2.0 ! A.176 at 5.58e+05 assign (segid d and resid 25 and name HA ) (segid d and resid 29 and name HG2# ) 4.0 2.2 2.5 ! B.1551 at 8.84e+05 assign (segid d and resid 25 and name HG2# ) (segid d and resid 29 and name HG2# ) 3.0 1.2 1.3 ! B.876 at 8.05e+06 assign (segid d and resid 25 and name HG2# ) (segid d and resid 29 and name HG1# ) 3.0 1.2 1.3 ! B.831 at 3.99e+06 assign (segid d and resid 25 and name HG2# ) (segid d and resid 29 and name HA ) 4.0 2.2 2.5 ! B.832 at 8.45e+05 assign (segid d and resid 25 and name HG2# ) (segid d and resid 29 and name HN ) 4.0 2.2 1.5 ! C.121 at 2.00e+06 assign (segid d and resid 25 and name HG2# ) (segid d and resid 29 and name HG2# ) 3.0 1.2 1.3 ! D.403 at 2.22e+06 ! F26 assign (segid d and resid 26 and name HB# ) (segid d and resid 26 and name HN ) 3.0 1.2 0.5 ! A.153 at 2.32e+06 assign (segid d and resid 26 and name HD# ) (segid d and resid 26 and name HN ) 4.0 2.2 1.0 ! A.150 at 1.03e+06 assign (segid d and resid 26 and name HD# ) (segid d and resid 26 and name HB# ) 4.0 2.2 2.0 ! B.1093 at -1.11e+06 assign (segid d and resid 26 and name HD# ) (segid d and resid 26 and name HA ) 4.0 2.2 1.0 ! B.1092 at -1.35e+06 assign (segid d and resid 26 and name HD# ) (segid d and resid 26 and name HZ ) 4.0 2.2 2.0 ! B.1089 at -9.94e+05 assign (segid d and resid 26 and name HN ) (segid d and resid 27 and name HN ) 4.0 2.2 1.0 ! A.149 at 1.11e+06 assign (segid d and resid 26 and name HB# ) (segid d and resid 27 and name HN ) 4.0 2.2 1.0 ! A.163 at 7.37e+05 assign (segid d and resid 26 and name HD# ) (segid d and resid 27 and name HN ) 4.0 2.2 1.0 ! A.166 at 9.39e+05 assign (segid d and resid 26 and name HD# ) (segid d and resid 27 and name HA ) 4.0 2.2 2.0 ! B.1631 at 5.71e+05 assign (segid d and resid 26 and name HA ) (segid d and resid 29 and name HN ) 4.0 2.2 1.0 ! A.178 at 9.54e+05 assign (segid d and resid 26 and name HA ) (segid d and resid 29 and name HB ) 4.0 2.2 1.0 ! B.1242 at 1.85e+06 assign (segid d and resid 26 and name HD# ) (segid d and resid 29 and name HG2# ) 4.0 2.2 2.5 ! B.1290 at -6.38e+05 assign (segid d and resid 26 and name HA ) (segid d and resid 29 and name HG2# ) 3.0 1.2 0.8 ! B.872 at 4.38e+06 assign (segid d and resid 26 and name HA ) (segid d and resid 29 and name HG1# ) 4.0 2.2 2.5 ! B.562 at 1.01e+06 assign (segid d and resid 26 and name HD# ) (segid d and resid 29 and name HG1# ) 4.0 2.2 2.5 ! B.1638 at 6.14e+05 assign (segid d and resid 26 and name HD# ) (segid d and resid 29 and name HN ) 4.0 2.2 2.0 ! C.124 at -1.42e+06 assign (segid d and resid 26 and name HD# ) (segid d and resid 30 and name HG1# ) 4.0 2.2 2.5 ! B.1094 at -1.11e+06 assign (segid d and resid 26 and name HD# ) (segid d and resid 30 and name HG2# ) 4.0 2.2 1.5 ! B.884 at 2.09e+06 assign (segid d and resid 26 and name HE# ) (segid d and resid 30 and name HG2# ) 3.0 1.2 0.8 ! B.883 at 7.80e+06 assign (segid d and resid 26 and name HZ ) (segid d and resid 30 and name HG1# ) 4.0 2.2 1.5 ! B.934 at -1.42e+06 assign (segid d and resid 26 and name HZ ) (segid d and resid 30 and name HG2# ) 4.0 2.2 1.5 ! B.935 at -1.63e+06 assign (segid d and resid 26 and name HB# ) (segid d and resid 30 and name HG1# ) 4.0 2.2 2.5 ! B.388 at -9.42e+05 assign (segid d and resid 26 and name HE# ) (segid d and resid 43 and name HZ2 ) 4.0 2.2 2.0 ! B.101 at 8.25e+05 assign (segid d and resid 26 and name HE# ) (segid d and resid 43 and name HH2 ) 4.0 2.2 2.0 ! B.570 at -5.96e+05 ! E27 assign (segid d and resid 27 and name HB# ) (segid d and resid 27 and name HN ) 4.0 2.2 1.0 ! B.1179 at 1.52e+06 assign (segid d and resid 27 and name HA ) (segid d and resid 27 and name HG# ) 4.0 2.2 1.0 ! B.95 at 2.49e+06 assign (segid d and resid 27 and name HG# ) (segid d and resid 27 and name HN ) 4.0 2.2 2.0 ! B.252 at -1.11e+06 assign (segid d and resid 27 and name HN ) (segid d and resid 28 and name HN ) 3.0 1.2 0.5 ! A.595 at 2.29e+06 assign (segid d and resid 27 and name HA ) (segid d and resid 28 and name HN ) 4.0 2.2 2.0 ! A.172 at 6.31e+05 assign (segid d and resid 27 and name HB# ) (segid d and resid 28 and name HN ) 4.0 2.2 1.0 ! B.1181 at 1.21e+06 assign (segid d and resid 27 and name HA ) (segid d and resid 30 and name HG1# ) 4.0 2.2 1.5 ! B.773 at 1.76e+06 assign (segid d and resid 27 and name HA ) (segid d and resid 30 and name HG2# ) 4.0 2.2 2.5 ! B.86 at 9.29e+05 assign (segid d and resid 27 and name HA ) (segid d and resid 43 and name HZ2 ) 4.0 2.2 1.0 ! B.96 at 1.75e+06 assign (segid d and resid 27 and name HB# ) (segid d and resid 43 and name HD1 ) 4.0 2.2 2.0 ! B.1180 at 1.07e+06 assign (segid d and resid 27 and name HB# ) (segid d and resid 43 and name HE1 ) 4.0 2.2 1.0 ! C.321 at 2.51e+06 assign (segid d and resid 27 and name HG# ) (segid d and resid 43 and name HE1 ) 4.0 2.2 2.0 ! B.1649 at -5.85e+05 assign (segid d and resid 27 and name HA ) (segid d and resid 43 and name HE1 ) 3.0 1.2 0.3 ! B.93 at 4.77e+06 assign (segid d and resid 27 and name HA ) (segid d and resid 43 and name HD1 ) 4.0 2.2 1.0 ! B.88 at 1.42e+06 ! K28 assign (segid d and resid 28 and name HG# ) (segid d and resid 28 and name HN ) 4.0 2.2 1.0 ! A.173 at 7.09e+05 assign (segid d and resid 28 and name HB# ) (segid d and resid 28 and name HE# ) 4.0 2.2 1.0 ! B.1285 at 1.54e+06 assign (segid d and resid 28 and name HB# ) (segid d and resid 28 and name HN ) 3.0 1.2 0.5 ! B.32 at 8.54e+06 assign (segid d and resid 28 and name HD# ) (segid d and resid 28 and name HN ) 4.0 2.2 1.0 ! B.1614 at 1.82e+06 assign (segid d and resid 28 and name HA ) (segid d and resid 28 and name HG# ) 4.0 2.2 1.0 ! B.413 at 2.82e+06 assign (segid d and resid 28 and name HG# ) (segid d and resid 28 and name HE# ) 4.0 2.2 1.0 ! D.210 at -6.96e+05 assign (segid d and resid 28 and name HA ) (segid d and resid 29 and name HN ) 4.0 2.2 1.0 ! A.175 at 9.70e+05 assign (segid d and resid 28 and name HN ) (segid d and resid 29 and name HN ) 3.0 1.2 0.5 ! A.570 at 2.74e+06 assign (segid d and resid 28 and name HB# ) (segid d and resid 29 and name HA ) 4.0 2.2 2.0 ! B.1286 at 7.56e+05 assign (segid d and resid 28 and name HB# ) (segid d and resid 29 and name HN ) 4.0 2.2 1.0 ! C.122 at -4.18e+06 assign (segid d and resid 28 and name HA ) (segid d and resid 31 and name HN ) 4.0 2.2 1.0 ! A.198 at 9.36e+05 assign (segid d and resid 28 and name HA ) (segid d and resid 31 and name HE# ) 4.0 2.2 2.0 ! B.748 at -1.13e+06 assign (segid d and resid 28 and name HA ) (segid d and resid 31 and name HB# ) 3.0 1.2 0.3 ! B.410 at 4.75e+06 assign (segid d and resid 28 and name HA ) (segid d and resid 32 and name HN ) 4.0 2.2 1.0 ! A.208 at 7.64e+05 assign (segid d and resid 28 and name HG# ) (segid d and resid 32 and name HA ) 4.0 2.2 2.0 ! B.415 at 5.36e+06 constraint loosened 2ce assign (segid d and resid 28 and name HG# ) (segid d and resid 32 and name HN ) 4.0 2.2 1.0 ! C.136 at 1.97e+06 ! V29 assign (segid d and resid 29 and name HG1# ) (segid d and resid 29 and name HN ) 4.0 2.2 1.5 ! A.182 at 1.67e+06 assign (segid d and resid 29 and name HG2# ) (segid d and resid 29 and name HN ) 3.0 1.2 1.0 ! A.181 at 4.60e+06 assign (segid d and resid 29 and name HB ) (segid d and resid 29 and name HN ) 3.0 1.2 0.5 ! B.1246 at 4.73e+06 assign (segid d and resid 29 and name HA ) (segid d and resid 29 and name HG2# ) 3.0 1.2 0.8 ! B.937 at 7.49e+06 assign (segid d and resid 29 and name HA ) (segid d and resid 29 and name HG1# ) 3.0 1.2 0.8 ! B.936 at 5.42e+06 assign (segid d and resid 29 and name HN ) (segid d and resid 30 and name HG2# ) 4.0 2.2 1.5 ! A.183 at 8.15e+05 assign (segid d and resid 29 and name HN ) (segid d and resid 30 and name HN ) 4.0 2.2 1.0 ! A.184 at 1.75e+06 assign (segid d and resid 29 and name HA ) (segid d and resid 30 and name HN ) 4.0 2.2 2.0 ! A.187 at 5.36e+05 assign (segid d and resid 29 and name HG1# ) (segid d and resid 30 and name HN ) 4.0 2.2 1.5 ! A.193 at 1.09e+06 assign (segid d and resid 29 and name HB ) (segid d and resid 30 and name HN ) 4.0 2.2 1.0 ! B.1247 at 2.01e+06 assign (segid d and resid 29 and name HB ) (segid d and resid 30 and name HG2# ) 4.0 2.2 1.5 ! B.1245 at 1.28e+06 assign (segid d and resid 29 and name HG1# ) (segid d and resid 30 and name HA ) 4.0 2.2 1.5 ! B.959 at 2.16e+06 assign (segid d and resid 29 and name HA ) (segid d and resid 30 and name HG2# ) 4.0 2.2 2.5 ! B.1640 at 5.09e+05 assign (segid d and resid 29 and name HG2# ) (segid d and resid 30 and name HG2# ) 4.0 2.2 2.0 ! B.878 at 3.08e+06 assign (segid d and resid 29 and name HG2# ) (segid d and resid 30 and name HA ) 4.0 2.2 2.5 ! B.871 at 1.07e+06 assign (segid d and resid 29 and name HG2# ) (segid d and resid 30 and name HN ) 4.0 2.2 1.5 ! B.864 at 2.23e+06 assign (segid d and resid 29 and name HG1# ) (segid d and resid 30 and name HG2# ) 4.0 2.2 2.0 ! D.242 at 8.78e+05 assign (segid d and resid 29 and name HA ) (segid d and resid 32 and name HN ) 4.0 2.2 1.0 ! A.211 at 9.94e+05 assign (segid d and resid 29 and name HA ) (segid d and resid 32 and name HB# ) 4.0 2.2 1.0 ! B.1108 at 2.15e+06 assign (segid d and resid 29 and name HA ) (segid d and resid 32 and name HG# ) 4.0 2.2 1.0 ! B.940 at 1.21e+06 assign (segid d and resid 29 and name HG2# ) (segid d and resid 32 and name HG# ) 4.0 2.2 2.5 ! B.874 at 6.38e+05 assign (segid d and resid 29 and name HG2# ) (segid d and resid 32 and name HB# ) 4.0 2.2 2.5 ! D.791 at 3.01e+05 assign (segid d and resid 29 and name HA ) (segid d and resid 33 and name HN ) 4.0 2.2 1.0 ! A.223 at 7.52e+05 assign (segid d and resid 29 and name HG1# ) (segid d and resid 33 and name HN ) 4.0 2.2 2.5 ! A.224 at 3.96e+05 assign (segid d and resid 29 and name HG1# ) (segid d and resid 33 and name HB# ) 3.0 1.2 0.8 ! B.508 at 4.23e+06 assign (segid d and resid 29 and name HG1# ) (segid d and ((resid 33 and name HD# ) or (resid 34 and name HD# ))) 3.0 1.2 0.8 ! B.511 at 3.70e+06 assign (segid d and resid 29 and name HG1# ) (segid d and resid 33 and name HA ) 4.0 2.2 2.5 ! B.515 at 7.34e+05 ! V30 assign (segid d and resid 30 and name HB ) (segid d and resid 30 and name HN ) 3.0 1.2 0.5 ! A.189 at 2.60e+06 assign (segid d and resid 30 and name HG2# ) (segid d and resid 30 and name HN ) 3.0 1.2 1.0 ! A.194 at 3.15e+06 assign (segid d and resid 30 and name HG1# ) (segid d and resid 30 and name HN ) 4.0 2.2 1.5 ! A.192 at 1.36e+06 assign (segid d and resid 30 and name HA ) (segid d and resid 30 and name HG1# ) 3.0 1.2 0.8 ! B.957 at 5.12e+06 assign (segid d and resid 30 and name HA ) (segid d and resid 30 and name HG2# ) 3.0 1.2 0.8 ! B.958 at 6.41e+06 assign (segid d and resid 30 and name HG2# ) (segid d and resid 31 and name HN ) 4.0 2.2 2.5 ! A.205 at 4.35e+05 assign (segid d and resid 30 and name HN ) (segid d and resid 31 and name HN ) 4.0 2.2 1.0 ! A.196 at 9.33e+05 assign (segid d and resid 30 and name HG1# ) (segid d and resid 31 and name HN ) 4.0 2.2 1.5 ! A.204 at 6.99e+05 assign (segid d and resid 30 and name HG1# ) (segid d and resid 31 and name HA ) 4.0 2.2 2.5 ! B.775 at 9.25e+05 assign (segid d and resid 30 and name HA ) (segid d and resid 32 and name HN ) 4.0 2.2 2.0 ! A.212 at 3.70e+05 assign (segid d and resid 30 and name HN ) (segid d and resid 32 and name HN ) 4.0 2.2 2.0 ! A.207 at 4.37e+05 !assign (segid d and resid 30 and name HA ) (segid d and resid 32 and name HE2# ) 4.0 2.2 2.0 ! C.540 at 1.23e+06 assign (segid d and resid 30 and name HA ) (segid d and resid 33 and name HN ) 3.0 1.2 0.5 ! A.572 at 1.81e+06 assign (segid d and resid 30 and name HG1# ) (segid d and resid 33 and name HE# ) 4.0 2.2 2.5 ! B.1071 at -3.66e+06 constraint loosened 2ce assign (segid d and resid 30 and name HA ) (segid d and resid 33 and name HB# ) 3.0 1.2 0.3 ! B.955 at 3.74e+06 assign (segid d and resid 30 and name HA ) (segid d and resid 34 and name HN ) 4.0 2.2 2.0 ! A.616 at 5.06e+05 assign (segid d and resid 30 and name HG1# ) (segid d and resid 34 and name HN ) 4.0 2.2 2.5 ! A.625 at 4.71e+05 assign (segid d and resid 30 and name HB ) (segid d and resid 43 and name HZ2 ) 3.0 1.2 0.3 ! B.1262 at 3.92e+06 assign (segid d and resid 30 and name HG2# ) (segid d and resid 43 and name HZ2 ) 3.0 1.2 0.8 ! B.97 at 3.16e+06 assign (segid d and resid 30 and name HG1# ) (segid d and resid 43 and name HZ2 ) 3.0 1.2 0.8 ! B.98 at 3.87e+06 assign (segid d and resid 30 and name HG2# ) (segid d and resid 43 and name HH2 ) 4.0 2.2 2.5 ! B.573 at -5.18e+05 assign (segid d and resid 30 and name HG1# ) (segid d and resid 43 and name HH2 ) 4.0 2.2 2.5 ! B.572 at -9.08e+05 assign (segid d and resid 30 and name HG2# ) (segid d and resid 43 and name HE1 ) 4.0 2.2 1.5 ! C.355 at 1.68e+06 assign (segid d and resid 30 and name HG1# ) (segid d and resid 43 and name HE1 ) 4.0 2.2 2.5 ! A.439 at 6.24e+05 assign (segid d and resid 30 and name HB ) (segid d and resid 43 and name HE1 ) 4.0 2.2 1.0 ! C.319 at 1.79e+06 assign (segid d and resid 30 and name HN ) (segid d and resid 43 and name HZ2 ) 4.0 2.2 2.0 ! C.131 at 1.42e+06 ! K31 assign (segid d and resid 31 and name HG# ) (segid d and resid 31 and name HA ) 3.0 1.2 0.3 ! B.1005 at 3.46e+06 assign (segid d and resid 31 and name HA ) (segid d and resid 31 and name HD# ) 4.0 2.2 1.0 ! B.482 at 5.71e+06 constraint loosened assign (segid d and resid 31 and name HB# ) (segid d and resid 31 and name HE# ) 4.0 2.2 2.0 ! B.227 at -7.84e+05 assign (segid d and resid 31 and name HE# ) (segid d and resid 31 and name HA ) 4.0 2.2 2.0 ! D.203 at -3.04e+05 assign (segid d and resid 31 and name HA ) (segid d and resid 32 and name HN ) 4.0 2.2 1.0 ! A.210 at 9.62e+05 assign (segid d and resid 31 and name HB# ) (segid d and resid 32 and name HN ) 4.0 2.2 1.0 ! B.225 at -1.50e+06 assign (segid d and resid 31 and name HA ) (segid d and resid 34 and name HN ) 4.0 2.2 2.0 ! A.228 at 5.42e+05 assign (segid d and resid 31 and name HA ) (segid d and resid 34 and name HB# ) 4.0 2.2 1.0 ! B.485 at 1.39e+06 assign (segid d and resid 31 and name HA ) (segid d and resid 35 and name HN ) 4.0 2.2 2.0 ! A.237 at 4.50e+05 assign (segid d and resid 31 and name HE# ) (segid d and resid 35 and name HN ) 4.0 2.2 2.0 ! B.756 at -9.46e+05 assign (segid d and resid 31 and name HG# ) (segid d and resid 35 and name HD2# ) 4.0 2.2 1.0 ! C.308 at 1.67e+06 assign (segid d and resid 31 and name HE# ) (segid d and resid 35 and name HD2# ) 4.0 2.2 1.0 ! C.302 at -2.18e+06 assign (segid d and resid 31 and name HE# ) (segid d and resid 41 and name HN ) 4.0 2.2 2.0 ! A.290 at 3.87e+05 assign (segid d and resid 31 and name HE# ) (segid d and resid 42 and name HA ) 4.0 2.2 1.0 ! B.749 at -2.60e+06 assign (segid d and resid 31 and name HN ) (segid d and resid 43 and name HE1 ) 4.0 2.2 1.0 ! A.426 at 9.13e+05 assign (segid d and resid 31 and name HN ) (segid d and resid 43 and name HZ2 ) 4.0 2.2 2.0 ! A.197 at 5.84e+05 assign (segid d and resid 31 and name HE# ) (segid d and resid 43 and name HD1 ) 4.0 2.2 2.0 ! B.1333 at -6.23e+05 assign (segid d and resid 31 and name HB# ) (segid d and resid 43 and name HE1 ) 4.0 2.2 1.0 ! C.322 at -1.71e+06 assign (segid d and resid 31 and name HE# ) (segid d and resid 43 and name HN ) 4.0 2.2 2.5 ! C.210 at -1.55e+06 ! Q32 assign (segid d and resid 32 and name HA ) (segid d and ((resid 29 and name HA ) or (resid 34 and name HA ))) 4.0 2.2 2.0 ! B.1592 at 1.03e+06 assign (segid d and resid 32 and name HA ) (segid d and ((resid 29 and name HB ) or (resid 31 and name HG# ) or (resid 28 and name HG# ))) 4.0 2.2 2.0 ! B.371 at 1.09e+06 assign (segid d and resid 32 and name HG# ) (segid d and resid 32 and name HN ) 4.0 2.2 1.0 ! A.213 at 1.54e+06 assign (segid d and resid 32 and name HB# ) (segid d and resid 32 and name HE2# ) 4.0 2.2 1.0 ! C.290 at 2.19e+06 assign (segid d and resid 32 and name HG# ) (segid d and resid 32 and name HE2# ) 2.5 0.7 0.2 ! C.288 at -1.84e+07 assign (segid d and resid 32 and name HA ) (segid d and resid 32 and name HE2# ) 4.0 2.2 1.0 ! C.295 at 2.58e+06 assign (segid d and resid 32 and name HB# ) (segid d and resid 32 and name HN ) 3.0 1.2 0.5 ! B.1102 at 5.32e+06 assign (segid d and resid 32 and name HA ) (segid d and resid 32 and name HG# ) 3.0 1.2 0.3 ! B.369 at 6.90e+06 assign (segid d and resid 32 and name HG# ) (segid d and resid 33 and name HN ) 4.0 2.2 1.0 ! A.532 at 6.40e+05 assign (segid d and resid 32 and name HA ) (segid d and resid 33 and name HN ) 4.0 2.2 1.0 ! A.222 at 7.54e+05 assign (segid d and resid 32 and name HN ) (segid d and resid 33 and name HN ) 3.0 1.2 0.5 ! A.217 at 1.91e+06 assign (segid d and resid 32 and name HG# ) (segid d and resid 33 and name HA ) 4.0 2.2 2.0 ! B.127 at -7.73e+05 assign (segid d and resid 32 and name HB# ) (segid d and resid 33 and name HN ) 3.0 1.2 0.5 ! C.141 at 4.67e+06 assign (segid d and resid 32 and name HA ) (segid d and resid 35 and name HN ) 4.0 2.2 1.0 ! A.235 at 1.62e+06 assign (segid d and resid 32 and name HN ) (segid d and resid 35 and name HB# ) 4.0 2.2 2.0 ! A.596 at 3.66e+05 assign (segid d and resid 32 and name HE2# ) (segid d and resid 35 and name HB# ) 4.0 2.2 2.0 ! A.469 at 6.33e+05 assign (segid d and resid 32 and name HB# ) (segid d and resid 35 and name HB# ) 4.0 2.2 2.0 ! B.1109 at 8.71e+05 assign (segid d and resid 32 and name HA ) (segid d and resid 35 and name HB# ) 2.5 0.7 0.2 ! B.82 at -1.08e+07 assign (segid d and resid 32 and name HA ) (segid d and resid 35 and name HA ) 4.0 2.2 2.0 ! B.367 at 9.04e+05 assign (segid d and resid 32 and name HG# ) (segid d and resid 35 and name HB# ) 4.0 2.2 1.0 ! B.132 at -2.01e+06 assign (segid d and resid 32 and name HA ) (segid d and resid 36 and name HN ) 4.0 2.2 1.0 ! A.245 at 9.42e+05 assign (segid d and resid 32 and name HG# ) (segid d and resid 36 and name HN ) 4.0 2.2 2.0 ! A.249 at 6.32e+05 ! F33 assign (segid d and resid 33 and name HD# ) (segid d and resid 33 and name HN ) 4.0 2.2 1.0 ! A.219 at 1.46e+06 assign (segid d and resid 33 and name HB# ) (segid d and resid 33 and name HN ) 2.5 0.7 0.4 ! A.220 at 5.82e+06 assign (segid d and resid 33 and name HD# ) (segid d and resid 33 and name HB# ) 3.0 1.2 0.3 ! B.1121 at -3.35e+06 assign (segid d and resid 33 and name HD# ) (segid d and resid 33 and name HA ) 4.0 2.2 1.0 ! B.1122 at -1.33e+06 assign (segid d and resid 33 and name HN ) (segid d and resid 34 and name HN ) 3.0 1.2 0.5 ! A.218 at 2.37e+06 assign (segid d and resid 33 and name HA ) (segid d and resid 34 and name HN ) 4.0 2.2 1.0 ! A.227 at 7.02e+05 assign (segid d and resid 33 and name HB# ) (segid d and resid 34 and name HN ) 4.0 2.2 1.0 ! B.359 at -1.55e+06 assign (segid d and resid 33 and name HN ) (segid d and resid 35 and name HN ) 4.0 2.2 2.0 ! A.578 at 3.33e+05 assign (segid d and resid 33 and name HA ) (segid d and resid 36 and name HB# ) 4.0 2.2 1.0 ! B.496 at 1.97e+06 assign (segid d and resid 33 and name HA ) (segid d and resid 36 and name HN ) 4.0 2.2 2.0 ! B.502 at 8.80e+05 assign (segid d and resid 33 and name HA ) (segid d and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.483 at 3.32e+05 ! F34 assign (segid d and resid 34 and name HD# ) (segid d and resid 34 and name HA ) 4.0 2.2 1.0 ! B.1125 at -1.99e+06 assign (segid d and resid 34 and name HD# ) (segid d and resid 34 and name HB# ) 4.0 2.2 1.0 ! B.1097 at -1.66e+06 assign (segid d and resid 34 and name HZ ) (segid d and resid 34 and name HB# ) 4.0 2.2 2.0 ! B.981 at -5.19e+05 !assign (segid d and resid 34 and name HZ ) (segid d and resid 34 and name HD# ) 3.0 1.2 0.3 ! B.980 at -7.58e+06 covalent assign (segid d and resid 34 and name HB# ) (segid d and resid 34 and name HN ) 4.0 2.2 1.0 ! C.146 at -2.64e+06 assign (segid d and resid 34 and name HD# ) (segid d and resid 34 and name HN ) 4.0 2.2 1.0 ! C.445 at -3.34e+06 assign (segid d and resid 34 and name HA ) (segid d and resid 35 and name HN ) 4.0 2.2 1.0 ! A.236 at 8.55e+05 assign (segid d and resid 34 and name HB# ) (segid d and resid 35 and name HN ) 4.0 2.2 1.0 ! A.238 at 1.66e+06 assign (segid d and resid 34 and name HN ) (segid d and resid 35 and name HB# ) 4.0 2.2 2.0 ! A.588 at 4.20e+05 assign (segid d and resid 34 and name HN ) (segid d and resid 35 and name HN ) 3.0 1.2 0.5 ! A.225 at 2.10e+06 assign (segid d and resid 34 and name HD# ) (segid d and resid 37 and name HN ) 4.0 2.2 2.0 ! A.121 at 3.11e+05 assign (segid d and resid 34 and name HA ) (segid d and resid 37 and name HN ) 4.0 2.2 1.0 ! A.125 at 1.04e+06 assign (segid d and resid 34 and name HA ) (segid d and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.484 at 3.52e+05 assign (segid d and resid 34 and name HZ ) (segid d and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.476 at 4.15e+05 assign (segid d and resid 34 and name HA ) (segid d and resid 37 and name HB# ) 4.0 2.2 1.0 ! B.521 at -1.36e+06 assign (segid d and resid 34 and name HA ) (segid d and resid 38 and name HN ) 4.0 2.2 2.0 ! A.261 at 4.63e+05 assign (segid d and resid 34 and name HA ) (segid d and resid 39 and name HN ) 4.0 2.2 2.0 ! A.273 at 5.84e+05 assign (segid d and resid 34 and name HA ) (segid d and resid 39 and name HB ) 4.0 2.2 1.0 ! B.855 at 2.03e+06 assign (segid d and resid 34 and name HA ) (segid d and resid 39 and name HG2# ) 4.0 2.2 1.5 ! B.851 at 1.74e+06 assign (segid d and resid 34 and name HD# ) (segid d and resid 39 and name HG1# ) 4.0 2.2 1.5 ! B.836 at 7.19e+06 constraint loosened assign (segid d and resid 34 and name HA ) (segid d and resid 39 and name HG1# ) 4.0 2.2 2.5 ! B.844 at 9.10e+05 assign (segid d and resid 34 and name HB# ) (segid d and resid 39 and name HG2# ) 4.0 2.2 1.5 ! B.691 at 2.57e+06 assign (segid d and resid 34 and name HB# ) (segid d and resid 39 and name HG1# ) 4.0 2.2 2.5 ! D.425 at -2.87e+05 assign (segid d and resid 34 and name HB# ) (segid d and resid 39 and name HB ) 4.0 2.2 1.0 ! B.144 at -1.80e+06 assign (segid d and ((resid 34 and name HD# ) or (resid 33 and name HD# ))) (segid d and resid 39 and name HB ) 4.0 2.2 1.0 ! B.148 at -3.04e+06 ! N35 assign (segid d and resid 35 and name HD2# ) (segid d and resid 35 and name HN ) 4.0 2.2 1.0 ! A.233 at 6.42e+05 assign (segid d and resid 35 and name HB# ) (segid d and resid 35 and name HN ) 2.5 0.7 0.4 ! A.239 at 5.80e+06 assign (segid d and resid 35 and name HB# ) (segid d and resid 35 and name HD2# ) 3.0 1.2 0.3 ! C.298 at -4.64e+06 assign (segid d and resid 35 and name HA ) (segid d and resid 35 and name HD2# ) 2.5 0.7 0.2 ! C.297 at 1.33e+07 assign (segid d and resid 35 and name HB# ) (segid d and resid 36 and name HN ) 3.0 1.2 0.5 ! A.246 at 3.82e+06 assign (segid d and resid 35 and name HA ) (segid d and resid 39 and name HN ) 4.0 2.2 1.0 ! A.269 at 2.49e+06 lowered assign (segid d and resid 35 and name HB# ) (segid d and resid 39 and name HN ) 4.0 2.2 2.0 ! C.180 at -1.61e+06 assign (segid d and resid 35 and name HD2# ) (segid d and resid 40 and name HA ) 3.0 1.2 0.3 ! A.492 at 2.17e+06 assign (segid d and resid 35 and name HA ) (segid d and resid 40 and name HA ) 4.0 2.2 1.0 ! B.1571 at 1.21e+06 assign (segid d and ((resid 35 and name HA ) or (resid 42 and name HA ))) (segid d and resid 40 and name HA ) 4.0 2.2 2.0 ! B.1275 at -1.08e+06 assign (segid d and resid 35 and name HD2# ) (segid d and resid 40 and name HB# ) 4.0 2.2 1.0 ! C.296 at -2.03e+06 ! D36 assign (segid d and resid 36 and name HB# ) (segid d and resid 36 and name HN ) 3.0 1.2 0.5 ! A.248 at 3.17e+06 assign (segid d and resid 36 and name HN ) (segid d and resid 37 and name HN ) 3.0 1.2 0.5 ! A.242 at 2.62e+06 assign (segid d and resid 36 and name HA ) (segid d and resid 37 and name HN ) 4.0 2.2 1.0 ! A.124 at 1.07e+06 assign (segid d and resid 36 and name HB# ) (segid d and resid 37 and name HN ) 4.0 2.2 1.0 ! A.575 at 7.97e+05 assign (segid d and resid 36 and name HB# ) (segid d and resid 37 and name HD2# ) 4.0 2.2 2.0 ! A.488 at 3.07e+05 ! N37 assign (segid d and resid 37 and name HD2# ) (segid d and resid 37 and name HN ) 4.0 2.2 2.0 ! A.122 at 6.36e+05 assign (segid d and resid 37 and name HB# ) (segid d and resid 37 and name HD2# ) 4.0 2.2 1.0 ! A.489 at 1.18e+06 assign (segid d and resid 37 and name HB# ) (segid d and resid 37 and name HN ) 4.0 2.2 1.0 ! B.530 at -2.75e+06 assign (segid d and resid 37 and name HA ) (segid d and resid 37 and name HD2# ) 4.0 2.2 2.0 ! C.312 at 1.56e+06 assign (segid d and resid 37 and name HN ) (segid d and resid 38 and name HN ) 3.0 1.2 0.5 ! A.118 at 3.26e+06 assign (segid d and resid 37 and name HN ) (segid d and resid 38 and name HA# ) 4.0 2.2 2.0 ! A.617 at 3.45e+05 assign (segid d and resid 37 and name HB# ) (segid d and resid 38 and name HN ) 4.0 2.2 2.0 ! A.263 at 4.96e+05 assign (segid d and resid 37 and name HA ) (segid d and resid 38 and name HN ) 4.0 2.2 1.0 ! A.579 at 1.29e+06 assign (segid d and resid 37 and name HN ) (segid d and resid 39 and name HN ) 4.0 2.2 1.0 ! A.267 at 9.48e+05 assign (segid d and resid 37 and name HN ) (segid d and resid 39 and name HG2# ) 4.0 2.2 2.5 ! A.254 at 4.16e+05 assign (segid d and resid 37 and name HD2# ) (segid d and resid 39 and name HA ) 4.0 2.2 2.0 ! C.311 at 1.47e+06 assign (segid d and resid 37 and name HB# ) (segid d and resid 39 and name HG2# ) 4.0 2.2 2.5 ! E.894 at -4.28e+05 assign (segid d and ((resid 37 and name HN ) or (resid 35 and name HD2# ))) (segid d and resid 40 and name HB# ) 4.0 2.2 2.0 ! B.808 at -9.78e+05 ! G38 assign (segid d and resid 38 and name HA# ) (segid d and resid 39 and name HN ) 4.0 2.2 1.0 ! A.272 at 1.40e+06 assign (segid d and resid 38 and name HN ) (segid d and resid 39 and name HN ) 3.0 1.2 0.5 ! A.266 at 3.12e+06 assign (segid d and resid 38 and name HN ) (segid d and resid 39 and name HA ) 4.0 2.2 2.0 ! A.598 at 5.38e+05 assign (segid d and resid 38 and name HN ) (segid d and resid 39 and name HG2# ) 4.0 2.2 2.5 ! A.264 at 4.99e+05 ! V39 assign (segid d and resid 39 and name HB ) (segid d and resid 39 and name HN ) 3.0 1.2 0.5 ! A.275 at 3.76e+06 assign (segid d and resid 39 and name HG2# ) (segid d and resid 39 and name HN ) 3.0 1.2 1.0 ! A.276 at 4.04e+06 assign (segid d and resid 39 and name HG1# ) (segid d and resid 39 and name HA ) 2.5 0.7 0.7 ! B.837 at 1.02e+07 assign (segid d and resid 39 and name HG1# ) (segid d and resid 39 and name HN ) 4.0 2.2 1.5 ! B.846 at 2.73e+06 assign (segid d and resid 39 and name HA ) (segid d and resid 39 and name HG2# ) 3.0 1.2 0.8 ! B.1467 at 9.24e+06 assign (segid d and resid 39 and name HA ) (segid d and resid 40 and name HN ) 2.5 0.7 0.4 ! A.278 at 5.27e+06 assign (segid d and resid 39 and name HA ) (segid d and resid 40 and name HA ) 4.0 2.2 1.0 ! B.1274 at -1.21e+06 assign (segid d and resid 39 and name HN ) (segid d and resid 40 and name HN ) 4.0 2.2 2.0 ! A.265 at 5.04e+05 assign (segid d and resid 39 and name HG1# ) (segid d and resid 40 and name HN ) 3.0 1.2 1.0 ! B.848 at 6.80e+06 assign (segid d and resid 39 and name HG2# ) (segid d and resid 40 and name HB# ) 4.0 2.2 2.5 ! B.817 at -8.59e+05 assign (segid d and resid 39 and name HA ) (segid d and resid 40 and name HB# ) 4.0 2.2 1.0 ! B.814 at -1.53e+06 assign (segid d and resid 39 and name HG1# ) (segid d and resid 40 and name HA ) 4.0 2.2 2.5 ! B.1624 at 6.69e+05 assign (segid d and resid 39 and name HB ) (segid d and resid 40 and name HN ) 4.0 2.2 2.0 ! B.150 at -7.43e+05 assign (segid d and resid 39 and name HG2# ) (segid d and resid 40 and name HN ) 3.0 1.2 1.0 ! C.185 at 6.19e+06 ! D40 assign (segid d and resid 40 and name HB# ) (segid d and resid 40 and name HN ) 3.0 1.2 0.5 ! A.279 at 1.84e+06 assign (segid d and resid 40 and name HA ) (segid d and resid 41 and name HN ) 2.5 0.7 0.4 ! A.286 at 7.94e+06 assign (segid d and resid 40 and name HB# ) (segid d and resid 41 and name HN ) 4.0 2.2 1.0 ! A.291 at 1.46e+06 assign (segid d and resid 40 and name HN ) (segid d and resid 41 and name HN ) 4.0 2.2 2.0 ! A.282 at 4.56e+05 assign (segid d and resid 40 and name HA ) (segid d and resid 41 and name HA# ) 4.0 2.2 2.0 ! B.1273 at -1.09e+06 assign (segid d and resid 40 and name HB# ) (segid d and resid 41 and name HA# ) 4.0 2.2 2.0 ! B.1670 at -6.06e+05 ! G41 assign (segid d and resid 41 and name HA# ) (segid d and resid 42 and name HN ) 3.0 1.2 0.5 ! A.300 at 4.09e+06 assign (segid d and resid 41 and name HN ) (segid d and resid 42 and name HN ) 4.0 2.2 1.0 ! A.296 at 8.36e+05 ! E42 assign (segid d and resid 42 and name HB# ) (segid d and resid 42 and name HN ) 4.0 2.2 1.0 ! B.121 at -1.76e+06 assign (segid d and resid 42 and name HA ) (segid d and resid 42 and name HG# ) 4.0 2.2 1.0 ! B.1345 at 2.25e+06 assign (segid d and resid 42 and name HG# ) (segid d and resid 42 and name HN ) 4.0 2.2 1.0 ! C.201 at -2.41e+06 assign (segid d and resid 42 and name HB# ) (segid d and resid 43 and name HN ) 4.0 2.2 1.0 ! A.317 at 1.77e+06 assign (segid d and resid 42 and name HA ) (segid d and resid 43 and name HN ) 2.5 0.7 0.4 ! A.312 at 7.13e+06 assign (segid d and resid 42 and name HN ) (segid d and resid 43 and name HN ) 4.0 2.2 2.0 ! A.308 at 3.90e+05 assign (segid d and resid 42 and name HA ) (segid d and resid 43 and name HD1 ) 4.0 2.2 1.0 ! B.22 at 1.20e+06 assign (segid d and resid 42 and name HG# ) (segid d and resid 43 and name HN ) 4.0 2.2 2.0 ! B.186 at -1.14e+06 assign (segid d and resid 42 and name HA ) (segid d and resid 43 and name HB# ) 4.0 2.2 2.0 ! B.1298 at 5.76e+05 assign (segid d and resid 42 and name HB# ) (segid d and resid 44 and name HG2# ) 4.0 2.2 1.5 ! B.116 at -1.74e+06 ! W43 !assign (segid d and resid 43 and name HH2 ) (segid d and resid 43 and name HE1 ) 4.0 2.2 2.0 ! A.535 at 3.72e+05 !assign (segid d and resid 43 and name HD1 ) (segid d and resid 43 and name HN ) 3.0 1.2 0.5 ! A.307 at 2.39e+06 !assign (segid d and resid 43 and name HB# ) (segid d and resid 43 and name HN ) 4.0 2.2 1.0 ! A.314 at 1.76e+06 !assign (segid d and resid 43 and name HB# ) (segid d and resid 43 and name HD1 ) 4.0 2.2 1.0 ! B.1184 at 1.54e+06 !assign (segid d and resid 43 and name HZ3 ) (segid d and resid 43 and name HH2 ) 4.0 2.2 1.0 ! B.613 at -1.94e+06 !assign (segid d and resid 43 and name HE3 ) (segid d and resid 43 and name HB# ) 4.0 2.2 1.0 ! B.397 at -1.15e+06 !assign (segid d and resid 43 and name HE3 ) (segid d and resid 43 and name HA ) 4.0 2.2 1.0 ! B.352 at -1.31e+06 assign (segid d and resid 43 and name HN ) (segid d and resid 44 and name HN ) 4.0 2.2 2.0 ! A.305 at 4.45e+05 assign (segid d and resid 43 and name HE3 ) (segid d and resid 44 and name HN ) 4.0 2.2 1.0 ! A.322 at 9.25e+05 assign (segid d and resid 43 and name HA ) (segid d and resid 44 and name HN ) 2.5 0.7 0.4 ! A.323 at 5.62e+06 assign (segid d and resid 43 and name HB# ) (segid d and resid 44 and name HN ) 4.0 2.2 2.0 ! A.328 at 4.82e+05 assign (segid d and resid 43 and name HA ) (segid d and resid 44 and name HB ) 4.0 2.2 2.0 ! B.1606 at 6.52e+05 assign (segid d and resid 43 and name HA ) (segid d and resid 44 and name HG2# ) 4.0 2.2 1.5 ! B.727 at 1.68e+06 assign (segid d and resid 43 and name HN ) (segid d and resid 44 and name HG2# ) 4.0 2.2 2.5 ! B.1503 at 6.50e+05 assign (segid d and resid 43 and name HA ) (segid d and resid 45 and name HN ) 4.0 2.2 2.0 ! C.450 at 1.34e+06 ! T44 assign (segid d and resid 44 and name HB ) (segid d and resid 44 and name HN ) 4.0 2.2 1.0 ! A.326 at 6.41e+05 assign (segid d and resid 44 and name HA ) (segid d and resid 44 and name HG2# ) 2.5 0.7 0.7 ! B.1040 at 1.08e+07 assign (segid d and resid 44 and name HG2# ) (segid d and resid 44 and name HN ) 4.0 2.2 1.5 ! C.218 at 4.47e+06 assign (segid d and resid 44 and name HG2# ) (segid d and resid 45 and name HN ) 3.0 1.2 1.0 ! A.336 at 1.99e+06 assign (segid d and resid 44 and name HB ) (segid d and resid 45 and name HN ) 3.0 1.2 0.5 ! A.600 at 2.88e+06 assign (segid d and resid 44 and name HN ) (segid d and resid 45 and name HN ) 4.0 2.2 2.0 ! A.320 at 4.77e+05 assign (segid d and resid 44 and name HB ) (segid d and resid 45 and name HD# ) 4.0 2.2 2.0 ! B.1500 at 6.33e+05 assign (segid d and resid 44 and name HB ) (segid d and resid 45 and name HB# ) 4.0 2.2 2.0 ! B.1498 at 9.99e+05 assign (segid d and resid 44 and name HG2# ) (segid d and resid 45 and name HD# ) 4.0 2.2 1.5 ! B.710 at 1.31e+06 assign (segid d and resid 44 and name HA ) (segid d and resid 45 and name HN ) 2.5 0.7 0.4 ! B.439 at 1.15e+07 assign (segid d and resid 44 and name HA ) (segid d and resid 45 and name HE# ) 4.0 2.2 2.0 ! D.168 at -2.88e+05 ! Y45 assign (segid d and resid 45 and name HB# ) (segid d and resid 45 and name HN ) 3.0 1.2 0.5 ! A.334 at 2.30e+06 assign (segid d and resid 45 and name HD# ) (segid d and resid 45 and name HN ) 4.0 2.2 1.0 ! A.332 at 1.45e+06 assign (segid d and resid 45 and name HD# ) (segid d and resid 45 and name HA ) 4.0 2.2 1.0 ! B.67 at -1.83e+06 assign (segid d and resid 45 and name HB# ) (segid d and resid 45 and name HD# ) 4.0 2.2 1.0 ! B.76 at -2.91e+06 assign (segid d and resid 45 and name HE# ) (segid d and resid 45 and name HB# ) 4.0 2.2 2.0 ! B.206 at -1.11e+06 assign (segid d and resid 45 and name HE# ) (segid d and resid 45 and name HN ) 4.0 2.2 2.0 ! B.214 at -9.00e+05 assign (segid d and resid 45 and name HE# ) (segid d and resid 45 and name HA ) 4.0 2.2 1.0 ! D.538 at -4.03e+05 assign (segid d and resid 45 and name HA ) (segid d and resid 46 and name HB# ) 4.0 2.2 2.0 ! B.447 at 8.59e+05 assign (segid d and resid 45 and name HA ) (segid d and resid 46 and name HN ) 3.0 1.2 0.5 ! C.224 at 1.31e+07 constraint loosened assign (segid d and resid 45 and name HB# ) (segid d and resid 46 and name HN ) 4.0 2.2 1.0 ! C.226 at -2.70e+06 ! D46 assign (segid d and resid 46 and name HB# ) (segid d and resid 46 and name HN ) 4.0 2.2 1.0 ! B.1294 at -2.75e+06 assign (segid d and resid 46 and name HA ) (segid d and resid 47 and name HN ) 2.5 0.7 0.4 ! A.351 at 8.31e+06 ! D47 assign (segid d and resid 47 and name HB# ) (segid d and resid 47 and name HN ) 2.5 0.7 0.4 ! C.232 at -1.54e+07 assign (segid d and resid 47 and name HA ) (segid d and resid 48 and name HN ) 2.5 0.7 0.4 ! A.357 at 1.00e+07 assign (segid d and resid 47 and name HN ) (segid d and resid 48 and name HN ) 4.0 2.2 2.0 ! A.355 at 5.75e+05 assign (segid d and resid 47 and name HB# ) (segid d and resid 48 and name HA ) 4.0 2.2 2.0 ! B.1481 at -5.93e+05 assign (segid d and resid 47 and name HB# ) (segid d and resid 48 and name HB# ) 4.0 2.2 1.5 ! B.1314 at 1.80e+06 assign (segid d and resid 47 and name HA ) (segid d and resid 48 and name HB# ) 4.0 2.2 1.5 ! B.548 at 5.84e+06 lowered assign (segid d and resid 47 and name HA ) (segid d and resid 48 and name HA ) 4.0 2.2 1.0 ! B.1598 at 2.33e+06 assign (segid d and resid 47 and name HB# ) (segid d and resid 48 and name HN ) 4.0 2.2 1.0 ! C.234 at -2.46e+06 ! A48 assign (segid d and resid 48 and name HB# ) (segid d and resid 48 and name HN ) 2.5 0.7 0.9 ! C.235 at 1.98e+07 assign (segid d and resid 48 and name HA ) (segid d and resid 49 and name HB ) 4.0 2.2 1.0 ! B.1236 at 1.45e+06 assign (segid d and resid 48 and name HB# ) (segid d and resid 49 and name HB ) 4.0 2.2 1.5 ! B.1343 at 1.30e+06 assign (segid d and resid 48 and name HB# ) (segid d and resid 49 and name HA ) 4.0 2.2 1.5 ! B.547 at 1.51e+06 assign (segid d and resid 48 and name HA ) (segid d and resid 49 and name HA ) 4.0 2.2 2.0 ! B.537 at 9.19e+05 assign (segid d and resid 48 and name HB# ) (segid d and resid 49 and name HN ) 2.5 0.7 0.9 ! C.236 at 1.53e+07 assign (segid d and resid 48 and name HA ) (segid d and resid 49 and name HN ) 3.0 1.2 0.5 ! C.25 at -2.34e+07 constaint loosened assign (segid d and resid 48 and name HB# ) (segid d and resid 50 and name HA ) 4.0 2.2 2.5 ! D.631 at 3.28e+05 ! T49 assign (segid d and resid 49 and name HA ) (segid d and resid 49 and name HG2# ) 3.0 1.2 0.8 ! B.532 at 4.86e+06 assign (segid d and resid 49 and name HB ) (segid d and resid 49 and name HN ) 4.0 2.2 1.0 ! C.24 at 6.35e+06 constraint loosened assign (segid d and resid 49 and name HB ) (segid d and resid 50 and name HN ) 4.0 2.2 1.0 ! B.1232 at 1.50e+06 assign (segid d and resid 49 and name HA ) (segid d and resid 50 and name HE# ) 4.0 2.2 1.0 ! B.535 at 2.73e+06 assign (segid d and resid 49 and name HA ) (segid d and resid 50 and name HN ) 3.0 1.2 0.5 ! B.539 at 7.55e+06 ! K50 assign (segid d and resid 50 and name HG# ) (segid d and resid 50 and name HN ) 4.0 2.2 2.0 ! A.348 at 5.85e+05 assign (segid d and resid 50 and name HD# ) (segid d and resid 50 and name HA ) 4.0 2.2 2.0 ! B.1472 at 7.87e+05 assign (segid d and resid 50 and name HG# ) (segid d and resid 50 and name HE# ) 4.0 2.2 1.0 ! B.1041 at 2.49e+06 assign (segid d and resid 50 and name HG# ) (segid d and resid 50 and name HA ) 4.0 2.2 1.0 ! B.1037 at 1.56e+06 assign (segid d and resid 50 and name HE# ) (segid d and resid 50 and name HN ) 4.0 2.2 2.0 ! B.646 at -5.39e+05 assign (segid d and resid 50 and name HB# ) (segid d and resid 50 and name HD# ) 4.0 2.2 2.0 ! D.444 at -3.36e+05 assign (segid d and resid 50 and name HG# ) (segid d and resid 51 and name HN ) 4.0 2.2 2.0 ! A.378 at 3.74e+05 assign (segid d and resid 50 and name HA ) (segid d and resid 51 and name HB ) 4.0 2.2 2.0 ! B.1168 at 1.04e+06 assign (segid d and resid 50 and name HA ) (segid d and resid 51 and name HN ) 3.0 1.2 0.5 ! B.156 at 4.83e+06 assign (segid d and resid 50 and name HB# ) (segid d and resid 51 and name HN ) 4.0 2.2 2.0 ! C.372 at -1.48e+06 ! T51 assign (segid d and resid 51 and name HG2# ) (segid d and resid 51 and name HA ) 2.5 0.7 0.7 ! B.784 at 1.04e+07 assign (segid d and resid 51 and name HB ) (segid d and resid 51 and name HN ) 3.0 1.2 0.5 ! C.481 at 4.65e+06 assign (segid d and resid 51 and name HA ) (segid d and resid 52 and name HN ) 2.5 0.7 0.4 ! A.383 at 5.33e+06 assign (segid d and resid 51 and name HN ) (segid d and resid 52 and name HN ) 4.0 2.2 2.0 ! A.368 at 3.17e+05 assign (segid d and resid 51 and name HB ) (segid d and resid 52 and name HN ) 4.0 2.2 1.0 ! B.1170 at 1.27e+06 assign (segid d and resid 51 and name HA ) (segid d and resid 52 and name HB# ) 4.0 2.2 2.0 ! B.464 at 6.38e+05 ! F52 assign (segid d and resid 52 and name HD# ) (segid d and resid 52 and name HN ) 4.0 2.2 1.0 ! A.384 at 8.36e+05 assign (segid d and resid 52 and name HB# ) (segid d and resid 52 and name HN ) 4.0 2.2 1.0 ! A.387 at 1.75e+06 assign (segid d and resid 52 and name HD# ) (segid d and resid 52 and name HB# ) 4.0 2.2 1.0 ! B.1086 at -2.30e+06 assign (segid d and resid 52 and name HD# ) (segid d and resid 52 and name HA ) 4.0 2.2 1.0 ! B.1084 at -1.80e+06 assign (segid d and resid 52 and name HD# ) (segid d and resid 52 and name HZ ) 4.0 2.2 2.0 ! B.1076 at -7.94e+05 assign (segid d and resid 52 and name HE# ) (segid d and resid 53 and name HN ) 4.0 2.2 2.0 ! A.576 at 3.18e+05 assign (segid d and resid 52 and name HB# ) (segid d and resid 53 and name HN ) 4.0 2.2 2.0 ! A.397 at 4.48e+05 assign (segid d and resid 52 and name HD# ) (segid d and resid 53 and name HN ) 4.0 2.2 1.0 ! A.393 at 1.11e+06 assign (segid d and resid 52 and name HA ) (segid d and resid 53 and name HN ) 3.0 1.2 0.5 ! B.394 at 3.71e+06 assign (segid d and resid 52 and name HE# ) (segid d and resid 54 and name HG2# ) 4.0 2.2 1.5 ! B.725 at 1.62e+06 assign (segid d and resid 52 and name HE# ) (segid d and resid 54 and name HA ) 4.0 2.2 2.0 ! B.1052 at -5.52e+05 assign (segid d and resid 52 and name HD# ) (segid d and resid 54 and name HG1# ) 4.0 2.2 1.5 ! B.724 at 1.24e+06 assign (segid d and resid 52 and name HD# ) (segid d and resid 54 and name HG2# ) 3.0 1.2 0.8 ! B.1325 at 3.46e+06 ! T53 assign (segid d and resid 53 and name HB ) (segid d and resid 53 and name HN ) 3.0 1.2 0.5 ! C.256 at 9.70e+06 assign (segid d and resid 53 and name HG2# ) (segid d and resid 53 and name HN ) 3.0 1.2 1.0 ! C.257 at 1.28e+07 assign (segid d and resid 53 and name HA ) (segid d and resid 54 and name HG2# ) 4.0 2.2 1.5 ! B.564 at 2.76e+06 assign (segid d and resid 53 and name HA ) (segid d and resid 54 and name HN ) 2.5 0.7 0.4 ! C.255 at 2.35e+07 ! V54 assign (segid d and resid 54 and name HA ) (segid d and resid 54 and name HG1# ) 3.0 1.2 0.8 ! B.631 at 5.62e+06 assign (segid d and resid 54 and name HB ) (segid d and resid 55 and name HN ) 3.0 1.2 0.5 ! A.412 at 1.82e+06 assign (segid d and resid 54 and name HG1# ) (segid d and resid 55 and name HN ) 3.0 1.2 1.0 ! C.264 at 7.25e+06 assign (segid d and resid 54 and name HA ) (segid d and resid 55 and name HN ) 2.5 0.7 0.4 ! C.262 at 2.06e+07 ! T55 assign (segid d and resid 55 and name HG2# ) (segid d and resid 55 and name HN ) 4.0 2.2 1.5 ! A.413 at 1.39e+06 assign (segid d and resid 55 and name HB ) (segid d and resid 55 and name HN ) 2.5 0.7 0.4 ! B.1133 at 1.02e+07 assign (segid d and resid 55 and name HB ) (segid d and resid 56 and name HN ) 4.0 2.2 1.0 ! A.420 at 1.57e+06 assign (segid d and resid 55 and name HN ) (segid d and resid 56 and name HN ) 4.0 2.2 1.0 ! A.416 at 1.16e+06 assign (segid d and resid 55 and name HG2# ) (segid d and resid 56 and name HN ) 3.0 1.2 1.0 ! B.1512 at 7.86e+06 assign (segid d and resid 55 and name HA ) (segid d and resid 56 and name HN ) 3.0 1.2 0.5 ! B.605 at 2.33e+07 constraint loosened assign (segid d and resid 55 and name HN ) (segid d and resid 56 and name HA ) 4.0 2.2 2.0 ! B.335 at 6.41e+05 ! E56 assign (segid d and resid 56 and name HB# ) (segid d and resid 56 and name HN ) 3.0 1.2 0.5 ! B.1251 at 3.47e+06 assign (segid d and resid 56 and name HG# ) (segid d and resid 56 and name HN ) 3.0 1.2 0.5 ! C.271 at -1.07e+07 assign (segid d and resid 56 and name HA ) (segid d and resid 56 and name HG# ) 3.0 1.2 0.3 ! D.284 at -1.85e+06 !@ END_XPLR_NOE_FILE !NOE inermolecular ! pck2xplr.nawk Table; Input File: c12c13noes.PCK ! Date: Mon Mar 8 18:00:11 EST 1999 ! Path: /net/kirsten1/sp2/hs124/N15noe_flip/noes ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A c12c13noes.PCK 38 0 0 7 31 ! B n15noe.PCK ! C c13noe_h2o ! Total 38 0 0 7 31 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! M1 assign (segid a and resid 1 and name HB# ) ( segid b and resid 6 and name HA ) 4.0 2.2 2.0 ! C.1469 at 6.29e+05 assign (segid a and resid 1 and name HE# ) ( segid b and resid 6 and name HA ) 4.0 2.2 1.5 ! C.277 at 2.84e+06 assign (segid a and resid 1 and name HA ) ( segid b and resid 6 and name HA ) 4.0 2.2 1.0 ! C.216 at 1.66e+06 assign (segid a and resid 1 and name HE# ) ( segid b and resid 45 and name HD# ) 4.0 2.2 2.5 ! A.317 at 9.53e+05 assign (segid a and resid 1 and name HE# ) ( segid b and resid 45 and name HE# ) 4.0 2.2 1.5 ! C.279 at 1.11e+07 assign (segid a and resid 1 and name HE# ) (segid d and ( (resid 50 and name HA ) or ( resid 49 and name HA ))) 4.0 2.2 2.5 ! A.319 at 4.04e+05 assign (segid a and resid 1 and name HE# ) (segid d and resid 48 and name HB# ) 3.0 1.2 1.3 ! A.321 at 3.43e+06 assign (segid a and resid 1 and name HA ) (( segid d or segid b) and ( (resid 48 and name HB# ) or ( resid 6 and name HG1# ))) 4.0 2.2 2.5 ! A.315 at 5.82e+05 assign (segid a and resid 1 and name HE# ) ( segid d and resid 50 and name HG# ) 4.0 2.2 1.5 ! C.285 at 2.72e+06 assign (segid a and resid 1 and name HE# ) ( segid d and resid 50 and name HD# ) 4.0 2.2 2.5 ! A.375 at 5.47e+05 assign (segid a and resid 1 and name HE# ) ( segid d and resid 50 and name HE# ) 3.0 1.2 0.8 ! A.16 at -1.75e+06 ! Q2 assign (segid a and resid 2 and name HN ) ( segid b and resid 6 and name HA ) 4.0 2.2 1.0 ! B.624 at 1.74e+06 assign (segid a and resid 2 and name HA ) ( segid b and resid 6 and name HA ) 3.0 1.2 0.3 ! A.31 at 1.36e+06 assign (segid a and resid 2 and name HB# ) ( segid b and resid 6 and name HA ) 4.0 2.2 2.0 ! C.1508 at 9.02e+05 assign (segid a and resid 2 and name HA ) ( segid b and resid 6 and name HG2# ) 4.0 2.2 1.5 ! C.427 at 1.34e+06 assign (segid a and resid 2 and name HA ) ( segid b and resid 6 and name HD# ) 4.0 2.2 1.5 ! C.1347 at 1.19e+06 assign (segid a and resid 2 and name HA ) ( segid b and resid 7 and name HN ) 4.0 2.2 1.0 ! B.48 at 1.16e+06 assign (segid a and resid 2 and name HE2# ) ( segid d and resid 47 and name HB# ) 4.0 2.2 2.0 ! C.582 at -6.21e+05 assign (segid a and resid 2 and name HN ) ( segid d and resid 49 and name HA ) 3.0 1.2 0.5 ! B.1 at 1.96e+06 assign (segid a and resid 2 and name HB# ) ( segid d and resid 49 and name HA ) 4.0 2.2 1.0 ! A.273 at 1.06e+06 assign (segid a and resid 2 and name HB# ) ( segid d and resid 49 and name HG2# ) 4.0 2.2 2.5 ! A.275 at 4.94e+05 ! Y3 assign (segid a and resid 3 and name HD# ) ( segid b and resid 5 and name HG* ) 4.0 2.2 1.5 ! A.128 at 8.49e+05 assign (segid a and resid 3 and name HD# ) ( segid b and ((resid 5 and name HG* ) or (resid 30 and name HG1# ) or (resid 7 and name HD* ))) 4.0 2.2 2.5 ! A.312 at -4.21e+05 assign (segid a and resid 3 and name HE# ) ( segid b and ((resid 5 and name HG* ) or (resid 30 and name HG1# ) or (resid 7 and name HD* ))) 4.0 2.2 2.5 ! A.2 at -6.76e+05 assign (segid a and resid 3 and name HN ) ( segid b and resid 6 and name HA ) 4.0 2.2 1.0 ! B.580 at 7.84e+05 assign (segid a and resid 3 and name HE# ) ( segid b and resid 23 and name HB# ) 3.0 1.2 0.8 ! A.301 at 1.28e+06 assign (segid a and resid 3 and name HE# ) ( segid b and resid 23 and name HA ) 4.0 2.2 2.0 ! A.291 at 4.45e+05 assign (segid a and resid 3 and name HB# ) ( segid b and resid 26 and name HE# ) 4.0 2.2 2.0 ! A.284 at -5.44e+05 assign (segid a and resid 3 and name HD# ) ( segid b and resid 43 and name HZ3 ) 4.0 2.2 2.0 ! A.381 at -4.38e+05 assign (segid a and resid 3 and name HA ) ( segid d and resid 50 and name HN ) 4.0 2.2 1.0 ! B.567 at 1.06e+06 assign (segid a and resid 3 and name HE# ) ( segid d and resid 50 and name HD# ) 4.0 2.2 1.0 ! C.1219 at 1.82e+06 assign (segid a and resid 3 and name HD# ) ( segid d and resid 50 and name HD# ) 4.0 2.2 2.0 ! C.1532 at 6.69e+05 assign (segid a and resid 3 and name HE# ) ( segid d and resid 50 and name HG# ) 4.0 2.2 2.0 ! C.1439 at 5.83e+05 assign (segid a and resid 3 and name HE# ) ( segid d and resid 50 and name HE# ) 4.0 2.2 1.0 ! C.642 at -1.16e+06 assign (segid a and resid 3 and name HD# ) ( segid d and resid 50 and name HB# ) 4.0 2.2 2.0 ! C.294 at -7.78e+05 assign (segid a and resid 3 and name HE# ) ( segid d and resid 50 and name HB# ) 4.0 2.2 2.0 ! C.292 at -5.88e+05 assign (segid a and resid 3 and name HA ) ( segid d and resid 51 and name HA ) 4.0 2.2 2.0 ! C.467 at 1.07e+06 ! K4 assign (segid a and resid 4 and name HA ) ( segid b and resid 4 and name HA ) 4.0 2.2 1.0 ! A.8 at 1.03e+06 assign (segid a and resid 4 and name HN ) (( segid d) and resid 51 and name HG2# ) 4.0 2.2 1.5 ! B.28 at 1.00e+06 assign (segid a and resid 4 and name HN ) ( segid d and resid 51 and name HA ) 4.0 2.2 1.0 ! C.471 at 2.53e+06 assign (segid a and resid 4 and name HB# ) ( segid d and resid 51 and name HA ) 4.0 2.2 1.0 ! C.268 at -1.71e+06 assign (segid a and resid 4 and name HN ) ( segid d and resid 52 and name HN ) 4.0 2.2 2.0 ! B.379 at 5.26e+05 assign (segid a and resid 4 and name HG# ) ( segid d and ((resid 52 and name HB# ) or (resid 49 and name HG2# ) or (resid 51 and name HG2# ))) 4.0 2.2 1.5 ! A.185 at 6.73e+05 ! V5 assign (segid a and resid 5 and name HG* ) ( segid b and resid 3 and name HD# ) 4.0 2.2 1.0 ! A.128 at 8.49e+05 assign (segid a and resid 5 and name HA ) ( segid d and resid 52 and name HN ) 4.0 2.2 1.0 ! B.385 at 9.98e+05 assign ( segid a and resid 5 and name HG* ) (( segid b or segid d) and ((resid 33 and name HZ ) or (resid 26 and name HE# ) or (resid 52 and name HZ ))) 3.0 1.2 0.8 ! A.127 at 3.50e+06 ! I6 assign (segid a and resid 6 and name HA ) ( segid b and resid 1 and name HB# ) 4.0 2.2 2.0 ! C.1469 at 6.29e+05 assign (segid a and resid 6 and name HA ) ( segid b and resid 1 and name HE# ) 4.0 2.2 1.5 ! C.277 at 2.84e+06 assign (segid a and resid 6 and name HA ) ( segid b and resid 1 and name HA ) 4.0 2.2 1.0 ! C.216 at 1.66e+06 assign (segid a and resid 6 and name HA ) ( segid b and resid 2 and name HA ) 3.0 1.2 0.3 ! A.31 at 1.36e+06 assign (segid a and resid 6 and name HG2# ) ( segid b and resid 2 and name HA ) 4.0 2.2 1.5 ! C.427 at 1.34e+06 assign (segid a and resid 6 and name HD# ) ( segid b and resid 2 and name HA ) 4.0 2.2 1.5 ! C.1347 at 1.19e+06 assign (segid a and resid 6 and name HA ) ( segid b and resid 2 and name HB# ) 4.0 2.2 2.0 ! C.1508 at 9.02e+05 assign (segid a and resid 6 and name HA ) ( segid b and resid 3 and name HN ) 4.0 2.2 1.0 ! B.580 at 7.84e+05 ! L7 assign (segid a and resid 7 and name HN ) ( segid b and resid 2 and name HA ) 4.0 2.2 1.0 ! B.48 at 1.16e+06 assign (segid a and resid 7 and name HG ) ( segid b and resid 3 and name HE# ) 4.0 2.2 2.0 ! A.398 at 4.79e+05 assign (segid a and resid 7 and name HD* ) ( segid b and resid 3 and name HE# ) 4.0 2.2 2.5 ! A.371 at 4.88e+05 assign (segid a and resid 7 and name HD* ) ( segid b and resid 33 and name HZ ) 3.0 1.2 0.8 ! A.175 at 1.86e+06 assign (segid a and resid 7 and name HD* ) (( segid b ) and ((resid 33 and name HE# ) or (resid 33 and name HD# ) or (resid 34 and name HD# ) )) 3.0 1.2 0.8 ! A.174 at 1.71e+06 ! N8 ! G9 ! K10 ! T11 ! L12 ! K13 ! G14 ! E15 ! T16 ! T17 ! T18 ! E19 ! A20 !assign (segid a and resid 20 and name HB# ) !( (segid b or segid d) and !((resid 39 and name HG2# ) or (resid 12 and name HD* ) or !(resid 54 and name HG1# ) or (resid 6 and name HG2# ))) ! 4.0 2.2 2.0 ! A.153 at 1.59e+06 !assign (segid a and resid 20 and name HB# ) !( ( segid b or segid d) and !((resid 29 and name HG2# ) or (resid 27 and name HG# ) or !(resid 54 and name HG2# ) or (resid 7 and name HD* ) or !(resid 21 and name HG* ))) ! 4.0 2.2 3.0 ! A.405 at 5.37e+05 ! V21 assign (segid a and resid 21 and name HG* ) ( segid b and resid 34 and name HA ) 4.0 2.2 2.5 ! A.368 at 5.68e+05 assign (segid a and resid 21 and name HG* ) ( segid b and ( (resid 36 and name HB# ) or (resid 37 and name HB# ))) 4.0 2.2 2.5 ! A.363 at 7.75e+05 assign (segid a and resid 21 and name HG* ) ( segid b and resid 34 and name HZ ) 4.0 2.2 2.5 ! A.130 at 7.31e+05 ! D22 ! A23 assign (segid a and resid 23 and name HB# ) ( segid b and resid 3 and name HE# ) 3.0 1.2 0.8 ! A.301 at 1.28e+06 assign (segid a and resid 23 and name HA ) ( segid b and resid 3 and name HE# ) 4.0 2.2 2.0 ! A.291 at 4.45e+05 ! A24 ! T25 assign (segid a and resid 25 and name HB ) ( segid b and ((resid 34 and name HZ ) or (resid 43 and name HZ2 ) or (resid 26 and name HZ ))) 4.0 2.2 1.0 ! A.144 at 8.79e+05 assign (segid a and resid 25 and name HB ) ( segid b and ((resid 34 and name HD# ) or (resid 33 and name HE# ) or (resid 45 and name HE# ) or (resid 33 and name HD# ))) 4.0 2.2 1.0 ! A.143 at 8.35e+05 ! F26 assign (segid a and resid 26 and name HE# ) ( segid b and resid 3 and name HB# ) 4.0 2.2 2.0 ! A.284 at -5.44e+05 assign (segid a and resid 26 and name HZ ) ( segid b and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.294 at 6.99e+05 assign (segid a and resid 26 and name HE# ) ( segid b and resid 30 and name HG1# ) 4.0 2.2 1.5 ! A.293 at 1.38e+06 assign (segid a and resid 26 and name HE# ) ( segid b and resid 30 and name HG2# ) 4.0 2.2 1.5 ! A.162 at 1.20e+06 assign (segid a and resid 26 and name HA ) ( segid b and ((resid 34 and name HD# ) or (resid 33 and name HE# ) or (resid 45 and name HE# ) or (resid 33 and name HD# ))) 4.0 2.2 2.0 ! A.124 at 5.80e+05 ! E27 ! K28 ! V29 assign (segid a and resid 29 and name HG1# ) ( segid b and ((resid 33 and name HD# ) or (resid 33 and name HE# )) ) 4.0 2.2 1.5 ! A.119 at 1.14e+06 assign (segid a and resid 29 and name HG2# ) ( segid b and ((resid 34 and name HZ ) or (resid 43 and name HZ2 ))) 4.0 2.2 2.5 ! A.287 at 5.43e+05 assign (segid a and resid 29 and name HG1# ) ( segid b and ((resid 3 and name HB# ) or (resid 33 and name HB# ) or (resid 45 and name HB# ) or (resid 41 and name HA# ))) 4.0 2.2 2.5 ! A.372 at 5.15e+05 ! V30 assign (segid a and resid 30 and name HG1# ) (( segid b or segid c or segid d) and ((resid 26 and name HD# ) or (resid 4 and name HA ) )) 4.0 2.2 2.5 ! A.362 at 4.11e+05 assign (segid a and resid 30 and name HG1# ) ( segid b and resid 26 and name HZ ) 4.0 2.2 2.5 ! A.294 at 6.99e+05 assign (segid a and resid 30 and name HG1# ) ( segid b and resid 26 and name HE# ) 4.0 2.2 1.5 ! A.293 at 1.38e+06 assign (segid a and resid 30 and name HG2# ) ( segid b and resid 26 and name HE# ) 4.0 2.2 1.5 ! A.162 at 1.20e+06 assign (segid a and resid 30 and name HG1# ) ( segid c and resid 52 and name HD# ) 4.0 2.2 2.5 ! A.343 at 5.39e+05 assign (segid a and resid 30 and name HG1# ) ( segid c and((resid 52 and name HZ ) or (resid 33 and name HZ ) )) 4.0 2.2 2.5 ! A.384 at 5.85e+05 ! K31 assign (segid a and resid 31 and name HA ) (segid c and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.93 at 8.14e+05 assign (segid a and resid 31 and name HA ) ( segid c and resid 52 and name HE# ) 4.0 2.2 2.0 ! A.92 at 9.10e+05 assign (segid a and resid 31 and name HG# ) ( segid c and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.194 at 5.67e+05 assign (segid a and ((resid 31 and name HG# ) or (resid 28 and name HG# ))) ( segid c and resid 52 and name HE# ) 4.0 2.2 2.0 ! A.193 at 8.28e+05 ! Q32 ! F33 assign (segid a and resid 33 and name HZ ) ( segid b and resid 7 and name HD* ) 3.0 1.2 0.8 ! A.175 at 1.86e+06 ! F34 assign (segid a and resid 34 and name HB# ) ( segid c and ((resid 52 and name HZ ) )) 4.0 2.2 2.0 ! A.298 at -4.40e+05 assign (segid a and resid 34 and name HZ ) ( segid b and ((resid 25 and name HG2# ) or (resid 20 and name HB# ) )) 4.0 2.2 2.5 ! A.197 at -6.60e+05 assign (segid a and resid 34 and name HZ ) ( segid b and ( (resid 27 and name HG# ) or (resid 29 and name HG2# ) or (resid 7 and name HD* ) or (resid 21 and name HG* ))) 4.0 2.2 2.5 ! A.195 at -7.25e+05 assign (segid a and resid 34 and name HB# ) ( segid c and resid 52 and name HE# ) 4.0 2.2 2.0 ! C.1647 at -5.56e+05 ! N35 ! D36 ! N37 ! G38 ! V39 assign (segid a and resid 39 and name HG1# ) ( segid c and resid 55 and name HN ) 4.0 2.2 1.5 ! C.847 at 1.18e+06 assign (segid a and resid 39 and name HG1# ) ( segid c and resid 52 and name HE# ) 4.0 2.2 1.5 ! A.336 at 1.19e+06 assign (segid a and resid 39 and name HG1# ) ( segid c and resid 52 and name HD# ) 4.0 2.2 2.5 ! A.340 at 5.08e+05 assign (segid a and resid 39 and name HG1# ) ( segid c and ((resid 52 and name HZ ) )) 4.0 2.2 2.5 ! A.337 at 4.67e+05 assign (segid a and resid 39 and name HG1# ) ((segid c or segid b or segid a ) and (( resid 54 and name HA ) or (resid 21 and name HA ) or (resid 32 and name HA ) or (resid 24 and name HA ))) 4.0 2.2 2.5 ! A.338 at 7.67e+05 assign (segid a and resid 39 and name HG1# ) ( segid c and ((resid 52 and name HB# ) or (resid 53 and name HG2# ) or (resid 49 and name HG2# ) or (resid 51 and name HG2# ))) 3.0 1.2 1.3 ! A.407 at 2.45e+06 assign (segid a and resid 39 and name HG2# ) ( segid b and ((resid 20 and name HB# ) or (resid 25 and name HG2# ) or (resid 7 and name HG ) or (resid 13 and name HG# ) or (resid 10 and name HG# ) )) 4.0 2.2 2.0 ! A.309 at 1.19e+06 ! D40 assign (segid a and resid 40 and name HN ) ( segid c and resid 55 and name HN ) 4.0 2.2 1.0 ! B.405 at 6.92e+05 assign (segid a and resid 40 and name HB# ) ( segid c and resid 55 and name HN ) 4.0 2.2 2.0 ! B.411 at 3.57e+05 assign (segid a and resid 40 and name HB# ) ( segid c and resid 55 and name HB ) 3.0 1.2 0.3 ! C.1135 at 3.50e+06 assign (segid a and resid 40 and name HB# ) ( segid c and resid 55 and name HG2# ) 4.0 2.2 2.5 ! C.820 at -7.51e+05 assign (segid a and resid 40 and name HB# ) ( segid c and resid 56 and name HN ) 4.0 2.2 2.0 ! C.804 at -1.07e+06 ! G41 assign (segid a and resid 41 and name HA# ) ( segid c and resid 52 and name HE# ) 4.0 2.2 2.0 ! A.73 at -5.13e+05 assign (segid a and resid 41 and name HA# ) ( segid c and resid 52 and name HZ ) 4.0 2.2 1.0 ! C.992 at -1.21e+06 assign (segid a and resid 41 and name HN ) ( segid c and resid 52 and name HE# ) 4.0 2.2 1.0 ! B.285 at 7.53e+05 assign (segid a and resid 41 and name HA# ) ( segid c and resid 54 and name HA ) 3.0 1.2 0.3 ! A.72 at -1.43e+06 assign (segid a and resid 41 and name HA# ) ( segid c and resid 54 and name HG2# ) 4.0 2.2 2.5 ! C.987 at -7.86e+05 assign (segid a and resid 41 and name HA# ) ( segid c and resid 55 and name HN ) 4.0 2.2 2.0 ! B.2 assign (segid a and resid 41 and name HN ) ( segid c and resid 56 and name HN ) 3.0 1.2 0.5 ! B.418 at 2.76e+06 ! E42 assign (segid a and resid 42 and name HN ) ( segid c and resid 52 and name HB# ) 4.0 2.2 2.0 ! B.304 at 5.53e+05 assign (segid a and resid 42 and name HN ) ( segid c and resid 52 and name HE# ) 4.0 2.2 2.0 ! B.297 at 5.09e+05 assign (segid a and resid 42 and name HA ) ( segid c and resid 52 and name HE# ) 4.0 2.2 1.0 ! A.290 at -8.00+05 assign (segid a and resid 42 and name HN ) ( segid c and resid 53 and name HN ) 4.0 2.2 1.0 ! B.391 at 1.58e+06 assign (segid a and resid 42 and name HN ) ( segid c and resid 54 and name HA ) 4.0 2.2 2.0 ! B.4 assign (segid a and resid 42 and name HN ) ( segid c and resid 55 and name HN ) 4.0 2.2 2.0 ! B.407 at 4.69e+05 ! W43 assign (segid a and resid 43 and name HZ3 ) ( segid b and resid 3 and name HD# ) 4.0 2.2 2.0 ! A.381 at -4.38e+05 assign (segid a and resid 43 and name HA ) ( segid c and resid 51 and name HN ) 4.0 2.2 2.0 ! B.615 at 4.22e+05 assign (segid a and resid 43 and name HA ) ( segid c and resid 52 and name HA ) 3.0 1.2 0.3 ! A.106 at 1.14e+06 assign (segid a and resid 43 and name HA ) ( segid c and resid 53 and name HN ) 4.0 2.2 1.0 ! B.394 at 1.04e+06 ! T44 assign (segid a and ((resid 44 and name HA ) or (resid 45 and name HA ))) ( segid c and ((resid 50 and name HA ) or (resid 49 and name HA ))) 3.0 1.2 0.3 ! A.100 at 1.61e+06 assign (segid a and resid 44 and name HN ) ( segid c and resid 50 and name HA ) 4.0 2.2 2.0 ! B.325 at 4.30e+05 assign (segid a and resid 44 and name HN ) ( segid c and resid 52 and name HA ) 4.0 2.2 1.0 ! B.327 at 1.04e+06 assign (segid a and resid 44 and name HN ) ( segid c and resid 53 and name HN ) 4.0 2.2 2.0 ! B.392 at 5.20e+05 !assign (segid a and ((resid 44 and name HG2# ) or (resid 55 and name HG2# ))) !(( segid b or segid c or segid d) and !((resid 44 and name HA ) or (resid 8 and name HA ) or (resid 7 and name HA ))) ! 4.0 2.2 2.5 ! A.364 at 4.96e+05 ! Y45 assign (segid a and resid 45 and name HD# ) ( segid b and resid 1 and name HE# ) 4.0 2.2 2.5 ! A.317 at 9.53e+05 assign (segid a and resid 45 and name HE# ) ( segid b and resid 1 and name HE# ) 4.0 2.2 1.5 ! C.279 at 1.11e+07 assign (segid a and resid 45 and name HD# ) ( segid c and resid 48 and name HB# ) 4.0 2.2 2.5 ! A.57 at 2.02e+06 assign (segid a and resid 45 and name HE# ) ( segid c and resid 48 and name HB# ) 4.0 2.2 1.5 ! A.58 at 2.95e+06 assign (segid a and resid 45 and name HD# ) ( segid c and resid 49 and name HN ) 4.0 2.2 1.0 ! B.461 at 1.18e+06 assign (segid a and resid 45 and name HD# ) ( segid c and resid 50 and name HG# ) 4.0 2.2 2.0 ! C.69 at -6.35e+05 assign (segid a and resid 45 and name HE# ) ( segid c and resid 50 and name HG# ) 4.0 2.2 2.0 ! C.1430 at 7.61e+05 assign (segid a and resid 45 and name HA ) ( segid c and resid 50 and name HG# ) 4.0 2.2 1.0 ! C.1039 at 1.16e+06 assign (segid a and resid 45 and name HD# ) ( segid c and resid 50 and name HE# ) 4.0 2.2 2.0 ! C.644 at -1.05e+06 assign (segid a and resid 45 and name HE# ) ( segid c and resid 50 and name HE# ) 4.0 2.2 1.0 ! C.643 at -2.44e+06 assign (segid a and resid 45 and name HA ) ( segid c and resid 50 and name HA ) 4.0 2.2 1.0 ! C.437 at 3.10e+06 assign (segid a and resid 45 and name HA ) ( segid c and resid 50 and name HB# ) 4.0 2.2 2.0 ! C.1429 at 6.24e+05 assign (segid a and resid 45 and name HA ) ( segid c and resid 51 and name HN ) 4.0 2.2 2.0 ! B.372 at 7.59e+05 ! D46 assign (segid a and resid 46 and name HB# ) ( segid c and ((resid 49 and name HB ) or (resid 51 and name HB ) or (resid 53 and name HB ))) 4.0 2.2 1.0 ! A.15 at -1.27e+06 constraint loosened assign (segid a and resid 46 and name HB# ) ( segid c and ((resid 49 and name HG2# ) or (resid 51 and name HG2# ) or (resid 53 and name HG2# ) or (resid 52 and name HB# ))) 4.0 2.2 1.5 ! A.14 at -1.04e+06 assign (segid a and resid 46 and name HA ) ( segid c and ((resid 49 and name HB ) or (resid 51 and name HB ) or (resid 53 and name HB ))) 4.0 2.2 2.0 ! A.389 at -4.31e+05 assign (segid a and resid 46 and name HA ) ( segid c and resid 51 and name HN ) 4.0 2.2 1.0 ! B.610 at 1.48e+06 ! D47 assign (segid a and resid 47 and name HB# ) ( segid d and resid 2 and name HE2# ) 4.0 2.2 2.0 ! C.582 at -6.21e+05 ! A48 assign (segid a and resid 48 and name HB# ) ( segid c and resid 45 and name HD# ) 4.0 2.2 2.5 ! A.57 at 2.02e+06 assign (segid a and resid 48 and name HB# ) ( segid c and resid 45 and name HE# ) 4.0 2.2 1.5 ! A.58 at 2.95e+06 ! T49 assign (segid a and resid 49 and name HA ) ( segid d and resid 2 and name HN ) 3.0 1.2 0.5 ! B.1 at 1.96e+06 assign (segid a and resid 49 and name HA ) ( segid d and resid 2 and name HB# ) 4.0 2.2 1.0 ! A.273 at 1.06e+06 assign (segid a and resid 49 and name HN ) ( segid c and resid 45 and name HD# ) 4.0 2.2 1.0 ! B.461 at 1.18e+06 assign (segid a and resid 49 and name HB ) ( segid c and ((resid 46 and name HA ) or (resid 22 and name HA ) or (resid 6 and name HA ))) 4.0 2.2 2.0 ! A.386 at 4.43e+05 assign (segid a and resid 49 and name HB ) ( segid c and ((resid 46 and name HB# ) or (resid 47 and name HB# ) or (resid 26 and name HB# ))) 4.0 2.2 1.0 ! A.314 at 8.73e+05 assign (segid a and resid 49 and name HB ) ( segid c and ((resid 46 and name HB# ) or (resid 47 and name HB# ) or (resid 52 and name HB# ) or (resid 26 and name HB# ))) 4.0 2.2 1.0 ! A.313 at 1.08e+06 ! K50 assign (segid a and resid 50 and name HG# ) ( segid d and resid 1 and name HE# ) 4.0 2.2 1.5 ! C.285 at 2.72e+06 assign (segid a and resid 50 and name HD# ) ( segid d and resid 1 and name HE# ) 4.0 2.2 2.5 ! A.375 at 5.47e+05 assign (segid a and resid 50 and name HE# ) ( segid d and resid 1 and name HE# ) 3.0 1.2 0.8 ! A.16 at -1.75e+06 assign (segid a and resid 50 and name HN ) ( segid d and resid 3 and name HA ) 4.0 2.2 1.0 ! B.567 at 1.06e+06 assign (segid a and resid 50 and name HD# ) ( segid d and resid 3 and name HE# ) 4.0 2.2 1.0 ! C.1219 at 1.82e+06 assign (segid a and resid 50 and name HD# ) ( segid d and resid 3 and name HD# ) 4.0 2.2 2.0 ! C.1532 at 6.69e+05 assign (segid a and resid 50 and name HG# ) ( segid d and resid 3 and name HE# ) 4.0 2.2 2.0 ! C.1439 at 5.83e+05 assign (segid a and resid 50 and name HE# ) ( segid d and resid 3 and name HE# ) 4.0 2.2 1.0 ! C.642 at -1.16e+06 assign (segid a and resid 50 and name HB# ) ( segid d and resid 3 and name HD# ) 4.0 2.2 2.0 ! C.294 at -7.78e+05 assign (segid a and resid 50 and name HB# ) ( segid d and resid 3 and name HE# ) 4.0 2.2 2.0 ! C.292 at -5.88e+05 assign (segid a and resid 50 and name HD# ) ( segid c and resid 43 and name HE3 ) 4.0 2.2 2.0 ! A.265 at 4.39e+05 assign (segid a and resid 50 and name HA ) ( segid c and resid 44 and name HN ) 4.0 2.2 2.0 ! B.325 at 4.30e+05 assign (segid a and resid 50 and name HG# ) ( segid c and resid 45 and name HD# ) 4.0 2.2 2.0 ! C.69 at -6.35e+05 assign (segid a and resid 50 and name HG# ) ( segid c and resid 45 and name HE# ) 4.0 2.2 2.0 ! C.1430 at 7.61e+05 assign (segid a and resid 50 and name HD# ) ( segid c and ((resid 45 and name HE# ) )) 4.0 2.2 2.0 ! A.264 at 5.12e+05 assign (segid a and resid 50 and name HG# ) ( segid c and resid 45 and name HA ) 4.0 2.2 1.0 ! C.1039 at 1.16e+06 assign (segid a and resid 50 and name HE# ) ( segid c and resid 45 and name HD# ) 4.0 2.2 2.0 ! C.644 at -1.05e+06 assign (segid a and resid 50 and name HE# ) ( segid c and resid 45 and name HE# ) 4.0 2.2 1.0 ! C.643 at -2.44e+06 assign (segid a and resid 50 and name HA ) ( segid c and resid 45 and name HA ) 4.0 2.2 1.0 ! C.437 at 3.10e+06 assign (segid a and resid 50 and name HB# ) ( segid c and resid 45 and name HA ) 4.0 2.2 2.0 ! C.1429 at 6.24e+05 ! T51 assign (segid a and resid 51 and name HA ) ( segid d and resid 3 and name HA ) 4.0 2.2 2.0 ! C.467 at 1.07e+06 assign (segid a and resid 51 and name HA ) ( segid d and resid 4 and name HN ) 4.0 2.2 1.0 ! C.471 at 2.53e+06 assign (segid a and resid 51 and name HA ) ( segid d and resid 4 and name HB# ) 4.0 2.2 1.0 ! C.268 at -1.71e+06 assign (segid a and resid 51 and name HG2# ) ( segid d and resid 4 and name HN ) 4.0 2.2 1.5 ! B.28 at 1.00e+06 assign (segid a and resid 51 and name HN ) ( segid c and resid 43 and name HA ) 4.0 2.2 2.0 ! B.615 at 4.22e+05 assign (segid a and resid 51 and name HN ) ( segid c and resid 45 and name HA ) 4.0 2.2 2.0 ! B.3 assign (segid a and resid 51 and name HN ) ( segid c and resid 46 and name HA ) 4.0 2.2 1.0 ! B.610 at 1.48e+06 assign (segid a and resid 51 and name HB ) ( segid c and resid 46 and name HA ) 3.0 1.2 0.3 ! C.1167 at 3.32e+06 ! F52 assign (segid a and resid 52 and name HN ) ( segid d and resid 4 and name HN ) 4.0 2.2 2.0 ! B.379 at 5.26e+05 assign (segid a and resid 52 and name HN ) ( segid d and resid 5 and name HA ) 4.0 2.2 1.0 ! B.385 at 9.98e+05 assign (segid a and resid 52 and name HE# ) ( segid c and ((resid 31 and name HD# ) or (resid 27 and name HB# ))) 4.0 2.2 2.0 ! A.258 at 8.35e+05 assign (segid a and resid 52 and name HD# ) ( segid c and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.343 at 5.39e+05 assign (segid a and resid 52 and name HZ ) ( segid c and resid 31 and name HA ) 4.0 2.2 2.0 ! A.93 at 8.14e+05 assign (segid a and resid 52 and name HE# ) ( segid c and resid 31 and name HA ) 4.0 2.2 2.0 ! A.92 at 9.10e+05 assign (segid a and resid 52 and name HE# ) ( segid c and ((resid 31 and name HB# ) or (resid 21 and name HB ))) 4.0 2.2 2.0 ! A.409 at -4.52e+05 assign (segid a and resid 52 and name HZ ) ( segid c and resid 31 and name HG# ) 4.0 2.2 2.0 ! A.194 at 5.67e+05 assign (segid a and resid 52 and name HE# ) ( segid c and resid 34 and name HB# ) 4.0 2.2 2.0 ! C.1647 at -5.56e+05 assign (segid a and resid 52 and name HE# ) ( segid c and resid 39 and name HG1# ) 4.0 2.2 1.5 ! A.336 at 1.19e+06 assign (segid a and resid 52 and name HD# ) ( segid c and resid 39 and name HG1# ) 4.0 2.2 2.5 ! A.340 at 5.08e+05 assign (segid a and resid 52 and name HE# ) ( segid c and resid 41 and name HA# ) 4.0 2.2 2.0 ! A.73 at -5.13e+05 assign (segid a and resid 52 and name HZ ) ( segid c and resid 41 and name HA# ) 4.0 2.2 1.0 ! C.992 at -1.21e+06 assign (segid a and resid 52 and name HE# ) ( segid c and resid 41 and name HN ) 4.0 2.2 1.0 ! B.285 at 7.53e+05 assign (segid a and resid 52 and name HA ) ( segid c and resid 43 and name HA ) 3.0 1.2 0.3 ! A.106 at 1.14e+06 assign (segid a and resid 52 and name HA ) ( segid c and resid 44 and name HN ) 4.0 2.2 1.0 ! B.327 at 1.04e+06 ! T53 assign (segid a and resid 53 and name HN ) ( segid c and resid 42 and name HN ) 4.0 2.2 1.0 ! B.391 at 1.58e+06 assign (segid a and resid 53 and name HN ) ( segid c and resid 43 and name HA ) 4.0 2.2 1.0 ! B.394 at 1.04e+06 assign (segid a and resid 53 and name HN ) ( segid c and resid 44 and name HN ) 4.0 2.2 2.0 ! B.392 at 5.20e+05 ! V54 assign (segid a and resid 54 and name HA ) ( segid c and resid 41 and name HA# ) 3.0 1.2 0.3 ! A.72 at -1.43e+06 assign (segid a and resid 54 and name HG2# ) ( segid c and resid 41 and name HA# ) 4.0 2.2 2.5 ! C.987 at -7.86e+05 assign (segid a and resid 54 and name HA ) ( segid c and resid 42 and name HN ) 4.0 2.2 2.0 ! B.4 ! T55 assign (segid a and resid 55 and name HN ) ( segid c and resid 39 and name HG1# ) 4.0 2.2 1.5 ! C.847 at 1.18e+06 assign (segid a and resid 55 and name HN ) ( segid c and resid 40 and name HN ) 4.0 2.2 1.0 ! B.405 at 6.92e+05 assign (segid a and resid 55 and name HN ) ( segid c and resid 40 and name HB# ) 4.0 2.2 2.0 ! B.411 at 3.57e+05 assign (segid a and resid 55 and name HB ) ( segid c and resid 40 and name HB# ) 3.0 1.2 0.3 ! C.1135 at 3.50e+06 assign (segid a and resid 55 and name HG2# ) ( segid c and resid 40 and name HB# ) 4.0 2.2 2.5 ! C.820 at -7.51e+05 assign (segid a and resid 55 and name HN ) ( segid c and resid 41 and name HA# ) 4.0 2.2 2.0 ! B.2 assign (segid a and resid 55 and name HN ) ( segid c and resid 42 and name HN ) 4.0 2.2 2.0 ! B.407 at 4.69e+05 ! E56 assign (segid a and resid 56 and name HN ) ( segid c and resid 40 and name HB# ) 4.0 2.2 2.0 ! C.804 at -1.07e+06 assign (segid a and resid 56 and name HN ) ( segid c and resid 41 and name HN ) 3.0 1.2 0.5 ! B.418 at 2.76e+06 !@ END_XPLR_NOE_FILE !@ END_XPLR_NOE_FILE !NOE inermolecular ! pck2xplr.nawk Table; Input File: c12c13noes.PCK ! Date: Mon Mar 8 18:00:11 EST 1999 ! Path: /net/kirsten1/sp2/hs124/N15noe_flip/noes ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A c12c13noes.PCK 38 0 0 7 31 ! B n15noe.PCK ! C c13noe_h2o ! Total 38 0 0 7 31 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! M1 assign (segid b and resid 1 and name HB# ) (( segid a ) and resid 6 and name HA ) 4.0 2.2 2.0 ! C.1469 at 6.29e+05 assign (segid b and resid 1 and name HE# ) (( segid a ) and resid 6 and name HA ) 4.0 2.2 1.5 ! C.277 at 2.84e+06 assign (segid b and resid 1 and name HA ) (( segid a ) and resid 6 and name HA ) 4.0 2.2 1.0 ! C.216 at 1.66e+06 assign (segid b and resid 1 and name HE# ) ( segid a and resid 45 and name HD# ) 4.0 2.2 2.5 ! A.317 at 9.53e+05 assign (segid b and resid 1 and name HE# ) ( segid a and resid 45 and name HE# ) 4.0 2.2 1.5 ! C.279 at 1.11e+07 assign (segid b and resid 1 and name HE# ) ( segid c and ( (resid 50 and name HA ) or ( resid 49 and name HA ))) 4.0 2.2 2.5 ! A.319 at 4.04e+05 assign (segid b and resid 1 and name HE# ) ( segid c and resid 48 and name HB# ) 3.0 1.2 1.3 ! A.321 at 3.43e+06 assign (segid b and resid 1 and name HA ) (( segid c or segid a) and ( (resid 48 and name HB# ) or ( resid 6 and name HG1# ))) 4.0 2.2 2.5 ! A.315 at 5.82e+05 assign (segid b and resid 1 and name HE# ) ( segid c and resid 50 and name HG# ) 4.0 2.2 1.5 ! C.285 at 2.72e+06 assign (segid b and resid 1 and name HE# ) ( segid c and resid 50 and name HD# ) 4.0 2.2 2.5 ! A.375 at 5.47e+05 assign (segid b and resid 1 and name HE# ) ( segid c and resid 50 and name HE# ) 3.0 1.2 0.8 ! A.16 at -1.75e+06 ! Q2 assign (segid b and resid 2 and name HN ) ( segid a and resid 6 and name HA ) 4.0 2.2 1.0 ! B.624 at 1.74e+06 assign (segid b and resid 2 and name HA ) ( segid a and resid 6 and name HA ) 3.0 1.2 0.3 ! A.31 at 1.36e+06 assign (segid b and resid 2 and name HB# ) ( segid a and resid 6 and name HA ) 4.0 2.2 2.0 ! C.1508 at 9.02e+05 assign (segid b and resid 2 and name HA ) ( segid a and resid 6 and name HG2# ) 4.0 2.2 1.5 ! C.427 at 1.34e+06 assign (segid b and resid 2 and name HA ) ( segid a and resid 6 and name HD# ) 4.0 2.2 1.5 ! C.1347 at 1.19e+06 assign (segid b and resid 2 and name HA ) ( segid a and resid 7 and name HN ) 4.0 2.2 1.0 ! B.48 at 1.16e+06 assign (segid b and resid 2 and name HE2# ) ( segid c and resid 47 and name HB# ) 4.0 2.2 2.0 ! C.582 at -6.21e+05 assign (segid b and resid 2 and name HN ) ( segid c and resid 49 and name HA ) 3.0 1.2 0.5 ! B.1 at 1.96e+06 assign (segid b and resid 2 and name HB# ) ( segid c and resid 49 and name HA ) 4.0 2.2 1.0 ! A.273 at 1.06e+06 assign (segid b and resid 2 and name HB# ) ( segid c and resid 49 and name HG2# ) 4.0 2.2 2.5 ! A.275 at 4.94e+05 ! Y3 assign (segid b and resid 3 and name HD# ) ( segid a and resid 5 and name HG* ) 4.0 2.2 1.5 ! A.128 at 8.49e+05 assign (segid b and resid 3 and name HD# ) ( segid a and ((resid 5 and name HG* ) or (resid 30 and name HG1# ) or (resid 7 and name HD* ))) 4.0 2.2 2.5 ! A.312 at -4.21e+05 assign (segid b and resid 3 and name HE# ) ( segid a and ((resid 5 and name HG* ) or (resid 30 and name HG1# ) or (resid 7 and name HD* ))) 4.0 2.2 2.5 ! A.2 at -6.76e+05 assign (segid b and resid 3 and name HN ) ( segid a and resid 6 and name HA ) 4.0 2.2 1.0 ! B.580 at 7.84e+05 assign (segid b and resid 3 and name HE# ) ( segid a and resid 23 and name HB# ) 3.0 1.2 0.8 ! A.301 at 1.28e+06 assign (segid b and resid 3 and name HE# ) ( segid a and resid 23 and name HA ) 4.0 2.2 2.0 ! A.291 at 4.45e+05 assign (segid b and resid 3 and name HB# ) ( segid a and resid 26 and name HE# ) 4.0 2.2 2.0 ! A.284 at -5.44e+05 assign (segid b and resid 3 and name HD# ) ( segid a and resid 43 and name HZ3 ) 4.0 2.2 2.0 ! A.381 at -4.38e+05 assign (segid b and resid 3 and name HA ) ( segid c and resid 50 and name HN ) 4.0 2.2 1.0 ! B.567 at 1.06e+06 assign (segid b and resid 3 and name HE# ) ( segid c and resid 50 and name HD# ) 4.0 2.2 1.0 ! C.1219 at 1.82e+06 assign (segid b and resid 3 and name HD# ) ( segid c and resid 50 and name HD# ) 4.0 2.2 2.0 ! C.1532 at 6.69e+05 assign (segid b and resid 3 and name HE# ) ( segid c and resid 50 and name HG# ) 4.0 2.2 2.0 ! C.1439 at 5.83e+05 assign (segid b and resid 3 and name HE# ) ( segid c and resid 50 and name HE# ) 4.0 2.2 1.0 ! C.642 at -1.16e+06 assign (segid b and resid 3 and name HD# ) ( segid c and resid 50 and name HB# ) 4.0 2.2 2.0 ! C.294 at -7.78e+05 assign (segid b and resid 3 and name HE# ) ( segid c and resid 50 and name HB# ) 4.0 2.2 2.0 ! C.292 at -5.88e+05 assign (segid b and resid 3 and name HA ) ( segid c and resid 51 and name HA ) 4.0 2.2 2.0 ! C.467 at 1.07e+06 ! K4 assign (segid b and resid 4 and name HA ) ( segid a and resid 4 and name HA ) 4.0 2.2 1.0 ! A.8 at 1.03e+06 assign (segid b and resid 4 and name HN ) (( segid c) and resid 51 and name HG2# ) 4.0 2.2 1.5 ! B.28 at 1.00e+06 assign (segid b and resid 4 and name HN ) ( segid c and resid 51 and name HA ) 4.0 2.2 1.0 ! C.471 at 2.53e+06 assign (segid b and resid 4 and name HB# ) ( segid c and resid 51 and name HA ) 4.0 2.2 1.0 ! C.268 at -1.71e+06 assign (segid b and resid 4 and name HN ) ( segid c and resid 52 and name HN ) 4.0 2.2 2.0 ! B.379 at 5.26e+05 assign (segid b and resid 4 and name HG# ) ( segid c and ((resid 52 and name HB# ) or (resid 49 and name HG2# ) or (resid 51 and name HG2# ))) 4.0 2.2 1.5 ! A.185 at 6.73e+05 ! V5 assign (segid b and resid 5 and name HG* ) ( segid a and resid 3 and name HD# ) 4.0 2.2 1.0 ! A.128 at 8.49e+05 assign (segid b and resid 5 and name HA ) ( segid c and resid 52 and name HN ) 4.0 2.2 1.0 ! B.385 at 9.98e+05 assign ( segid b and resid 5 and name HG* ) (( segid a or segid c) and ((resid 33 and name HZ ) or (resid 26 and name HE# ) or (resid 52 and name HZ ))) 3.0 1.2 0.8 ! A.127 at 3.50e+06 ! I6 assign (segid b and resid 6 and name HA ) ( segid a and resid 1 and name HB# ) 4.0 2.2 2.0 ! C.1469 at 6.29e+05 assign (segid b and resid 6 and name HA ) ( segid a and resid 1 and name HE# ) 4.0 2.2 1.5 ! C.277 at 2.84e+06 assign (segid b and resid 6 and name HA ) ( segid a and resid 1 and name HA ) 4.0 2.2 1.0 ! C.216 at 1.66e+06 assign (segid b and resid 6 and name HA ) ( segid a and resid 2 and name HA ) 3.0 1.2 0.3 ! A.31 at 1.36e+06 assign (segid b and resid 6 and name HG2# ) ( segid a and resid 2 and name HA ) 4.0 2.2 1.5 ! C.427 at 1.34e+06 assign (segid b and resid 6 and name HD# ) ( segid a and resid 2 and name HA ) 4.0 2.2 1.5 ! C.1347 at 1.19e+06 assign (segid b and resid 6 and name HA ) ( segid a and resid 2 and name HB# ) 4.0 2.2 2.0 ! C.1508 at 9.02e+05 assign (segid b and resid 6 and name HA ) ( segid a and resid 3 and name HN ) 4.0 2.2 1.0 ! B.580 at 7.84e+05 ! L7 assign (segid b and resid 7 and name HN ) ( segid a and resid 2 and name HA ) 4.0 2.2 1.0 ! B.48 at 1.16e+06 assign (segid b and resid 7 and name HG ) ( segid a and resid 3 and name HE# ) 4.0 2.2 2.0 ! A.398 at 4.79e+05 assign (segid b and resid 7 and name HD* ) ( segid a and resid 3 and name HE# ) 4.0 2.2 2.5 ! A.371 at 4.88e+05 assign (segid b and resid 7 and name HD* ) ( segid a and resid 33 and name HZ ) 3.0 1.2 0.8 ! A.175 at 1.86e+06 assign (segid b and resid 7 and name HD* ) (( segid a ) and ((resid 33 and name HE# ) or (resid 33 and name HD# ) or (resid 34 and name HD# ) )) 3.0 1.2 0.8 ! A.174 at 1.71e+06 ! N8 ! G9 ! K10 ! T11 ! L12 ! K13 ! G14 ! E15 ! T16 ! T17 ! T18 ! E19 ! A20 !assign (segid b and resid 20 and name HB# ) !( (segid a or segid c) and !((resid 39 and name HG2# ) or (resid 12 and name HD* ) or !(resid 54 and name HG1# ) or (resid 6 and name HG2# ))) ! 4.0 2.2 2.0 ! A.153 at 1.59e+06 !assign (segid b and resid 20 and name HB# ) !( ( segid a or segid c) and !((resid 29 and name HG2# ) or (resid 27 and name HG# ) or !(resid 54 and name HG2# ) or (resid 7 and name HD* ) or !(resid 21 and name HG* ))) ! 4.0 2.2 3.0 ! A.405 at 5.37e+05 ! V21 assign (segid b and resid 21 and name HG* ) ( segid a and resid 34 and name HA ) 4.0 2.2 2.5 ! A.368 at 5.68e+05 assign (segid b and resid 21 and name HG* ) ( segid a and ( (resid 36 and name HB# ) or (resid 37 and name HB# ))) 4.0 2.2 2.5 ! A.363 at 7.75e+05 assign (segid b and resid 21 and name HG* ) ( segid a and resid 34 and name HZ ) 4.0 2.2 2.5 ! A.130 at 7.31e+05 ! D22 ! A23 assign (segid b and resid 23 and name HB# ) ( segid a and resid 3 and name HE# ) 3.0 1.2 0.8 ! A.301 at 1.28e+06 assign (segid b and resid 23 and name HA ) ( segid a and resid 3 and name HE# ) 4.0 2.2 2.0 ! A.291 at 4.45e+05 ! A24 ! T25 assign (segid b and resid 25 and name HB ) ( segid a and ((resid 34 and name HZ ) or (resid 43 and name HZ2 ) or (resid 26 and name HZ ))) 4.0 2.2 1.0 ! A.144 at 8.79e+05 assign (segid b and resid 25 and name HB ) ( segid a and ((resid 34 and name HD# ) or (resid 33 and name HE# ) or (resid 45 and name HE# ) or (resid 33 and name HD# ))) 4.0 2.2 1.0 ! A.143 at 8.35e+05 ! F26 assign (segid b and resid 26 and name HE# ) ( segid a and resid 3 and name HB# ) 4.0 2.2 2.0 ! A.284 at -5.44e+05 assign (segid b and resid 26 and name HZ ) ( segid a and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.294 at 6.99e+05 assign (segid b and resid 26 and name HE# ) ( segid a and resid 30 and name HG1# ) 4.0 2.2 1.5 ! A.293 at 1.38e+06 assign (segid b and resid 26 and name HE# ) ( segid a and resid 30 and name HG2# ) 4.0 2.2 1.5 ! A.162 at 1.20e+06 assign (segid b and resid 26 and name HA ) ( segid a and ((resid 34 and name HD# ) or (resid 33 and name HE# ) or (resid 45 and name HE# ) or (resid 33 and name HD# ))) 4.0 2.2 2.0 ! A.124 at 5.80e+05 ! E27 ! K28 ! V29 assign (segid b and resid 29 and name HG1# ) ( segid a and ((resid 33 and name HD# ) or (resid 33 and name HE# )) ) 4.0 2.2 1.5 ! A.119 at 1.14e+06 assign (segid b and resid 29 and name HG2# ) ( segid a and ((resid 34 and name HZ ) or (resid 43 and name HZ2 ))) 4.0 2.2 2.5 ! A.287 at 5.43e+05 assign (segid b and resid 29 and name HG1# ) ( segid a and ((resid 3 and name HB# ) or (resid 33 and name HB# ) or (resid 45 and name HB# ) or (resid 41 and name HA# ))) 4.0 2.2 2.5 ! A.372 at 5.15e+05 ! V30 assign (segid b and resid 30 and name HG1# ) (( segid a or segid d or segid c) and ((resid 26 and name HD# ) or (resid 4 and name HA ) )) 4.0 2.2 2.5 ! A.362 at 4.11e+05 assign (segid b and resid 30 and name HG1# ) ( segid a and resid 26 and name HZ ) 4.0 2.2 2.5 ! A.294 at 6.99e+05 assign (segid b and resid 30 and name HG1# ) ( segid a and resid 26 and name HE# ) 4.0 2.2 1.5 ! A.293 at 1.38e+06 assign (segid b and resid 30 and name HG2# ) ( segid a and resid 26 and name HE# ) 4.0 2.2 1.5 ! A.162 at 1.20e+06 assign (segid b and resid 30 and name HG1# ) ( segid d and resid 52 and name HD# ) 4.0 2.2 2.5 ! A.343 at 5.39e+05 assign (segid b and resid 30 and name HG1# ) ( segid d and((resid 52 and name HZ ) or (resid 33 and name HZ ) )) 4.0 2.2 2.5 ! A.384 at 5.85e+05 ! K31 assign (segid b and resid 31 and name HA ) (segid d and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.93 at 8.14e+05 assign (segid b and resid 31 and name HA ) ( segid d and resid 52 and name HE# ) 4.0 2.2 2.0 ! A.92 at 9.10e+05 assign (segid b and resid 31 and name HG# ) ( segid d and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.194 at 5.67e+05 assign (segid b and ((resid 31 and name HG# ) or (resid 28 and name HG# ))) ( segid d and resid 52 and name HE# ) 4.0 2.2 2.0 ! A.193 at 8.28e+05 ! Q32 ! F33 assign (segid b and resid 33 and name HZ ) ( segid a and resid 7 and name HD* ) 3.0 1.2 0.8 ! A.175 at 1.86e+06 ! F34 assign (segid b and resid 34 and name HB# ) ( segid d and ((resid 52 and name HZ ) )) 4.0 2.2 2.0 ! A.298 at -4.40e+05 assign (segid b and resid 34 and name HZ ) ( segid a and ((resid 25 and name HG2# ) or (resid 20 and name HB# ) )) 4.0 2.2 2.5 ! A.197 at -6.60e+05 assign (segid b and resid 34 and name HZ ) ( segid a and ( (resid 27 and name HG# ) or (resid 29 and name HG2# ) or (resid 7 and name HD* ) or (resid 21 and name HG* ))) 4.0 2.2 2.5 ! A.195 at -7.25e+05 assign (segid b and resid 34 and name HB# ) ( segid d and resid 52 and name HE# ) 4.0 2.2 2.0 ! C.1647 at -5.56e+05 ! N35 ! D36 ! N37 ! G38 ! V39 assign (segid b and resid 39 and name HG1# ) ( segid d and resid 55 and name HN ) 4.0 2.2 1.5 ! C.847 at 1.18e+06 assign (segid b and resid 39 and name HG1# ) ( segid d and resid 52 and name HE# ) 4.0 2.2 1.5 ! A.336 at 1.19e+06 assign (segid b and resid 39 and name HG1# ) ( segid d and resid 52 and name HD# ) 4.0 2.2 2.5 ! A.340 at 5.08e+05 assign (segid b and resid 39 and name HG1# ) ( segid d and ((resid 52 and name HZ ) )) 4.0 2.2 2.5 ! A.337 at 4.67e+05 assign (segid b and resid 39 and name HG1# ) ((segid d or segid a or segid b ) and (( resid 54 and name HA ) or (resid 21 and name HA ) or (resid 32 and name HA ) or (resid 24 and name HA ))) 4.0 2.2 2.5 ! A.338 at 7.67e+05 assign (segid b and resid 39 and name HG1# ) ( segid d and ((resid 52 and name HB# ) or (resid 53 and name HG2# ) or (resid 49 and name HG2# ) or (resid 51 and name HG2# ))) 3.0 1.2 1.3 ! A.407 at 2.45e+06 assign (segid b and resid 39 and name HG2# ) ( segid a and ((resid 20 and name HB# ) or (resid 25 and name HG2# ) or (resid 7 and name HG ) or (resid 13 and name HG# ) or (resid 10 and name HG# ) )) 4.0 2.2 2.0 ! A.309 at 1.19e+06 ! D40 assign (segid b and resid 40 and name HN ) ( segid d and resid 55 and name HN ) 4.0 2.2 1.0 ! B.405 at 6.92e+05 assign (segid b and resid 40 and name HB# ) ( segid d and resid 55 and name HN ) 4.0 2.2 2.0 ! B.411 at 3.57e+05 assign (segid b and resid 40 and name HB# ) ( segid d and resid 55 and name HB ) 3.0 1.2 0.3 ! C.1135 at 3.50e+06 assign (segid b and resid 40 and name HB# ) ( segid d and resid 55 and name HG2# ) 4.0 2.2 2.5 ! C.820 at -7.51e+05 assign (segid b and resid 40 and name HB# ) ( segid d and resid 56 and name HN ) 4.0 2.2 2.0 ! C.804 at -1.07e+06 ! G41 assign (segid b and resid 41 and name HA# ) ( segid d and resid 52 and name HE# ) 4.0 2.2 2.0 ! A.73 at -5.13e+05 assign (segid b and resid 41 and name HA# ) ( segid d and resid 52 and name HZ ) 4.0 2.2 1.0 ! C.992 at -1.21e+06 assign (segid b and resid 41 and name HN ) ( segid d and resid 52 and name HE# ) 4.0 2.2 1.0 ! B.285 at 7.53e+05 assign (segid b and resid 41 and name HA# ) ( segid d and resid 54 and name HA ) 3.0 1.2 0.3 ! A.72 at -1.43e+06 assign (segid b and resid 41 and name HA# ) ( segid d and resid 54 and name HG2# ) 4.0 2.2 2.5 ! C.987 at -7.86e+05 assign (segid b and resid 41 and name HA# ) ( segid d and resid 55 and name HN ) 4.0 2.2 2.0 ! B.2 assign (segid b and resid 41 and name HN ) ( segid d and resid 56 and name HN ) 3.0 1.2 0.5 ! B.418 at 2.76e+06 ! E42 assign (segid b and resid 42 and name HN ) ( segid d and resid 52 and name HB# ) 4.0 2.2 2.0 ! B.304 at 5.53e+05 assign (segid b and resid 42 and name HN ) ( segid d and resid 52 and name HE# ) 4.0 2.2 2.0 ! B.297 at 5.09e+05 assign (segid b and resid 42 and name HA ) ( segid d and resid 52 and name HE# ) 4.0 2.2 1.0 ! A.290 at -8.00+05 assign (segid b and resid 42 and name HN ) ( segid d and resid 53 and name HN ) 4.0 2.2 1.0 ! B.391 at 1.58e+06 assign (segid b and resid 42 and name HN ) ( segid d and resid 54 and name HA ) 4.0 2.2 2.0 ! B.4 assign (segid b and resid 42 and name HN ) ( segid d and resid 55 and name HN ) 4.0 2.2 2.0 ! B.407 at 4.69e+05 ! W43 assign (segid b and resid 43 and name HZ3 ) ( segid a and resid 3 and name HD# ) 4.0 2.2 2.0 ! A.381 at -4.38e+05 assign (segid b and resid 43 and name HA ) ( segid d and resid 51 and name HN ) 4.0 2.2 2.0 ! B.615 at 4.22e+05 assign (segid b and resid 43 and name HA ) ( segid d and resid 52 and name HA ) 3.0 1.2 0.3 ! A.106 at 1.14e+06 assign (segid b and resid 43 and name HA ) ( segid d and resid 53 and name HN ) 4.0 2.2 1.0 ! B.394 at 1.04e+06 ! T44 assign (segid b and ((resid 44 and name HA ) or (resid 45 and name HA ))) ( segid d and ((resid 50 and name HA ) or (resid 49 and name HA ))) 3.0 1.2 0.3 ! A.100 at 1.61e+06 assign (segid b and resid 44 and name HN ) ( segid d and resid 50 and name HA ) 4.0 2.2 2.0 ! B.325 at 4.30e+05 assign (segid b and resid 44 and name HN ) ( segid d and resid 52 and name HA ) 4.0 2.2 1.0 ! B.327 at 1.04e+06 assign (segid b and resid 44 and name HN ) ( segid d and resid 53 and name HN ) 4.0 2.2 2.0 ! B.392 at 5.20e+05 !assign (segid b and ((resid 44 and name HG2# ) or (resid 55 and name HG2# ))) !(( segid a or segid d or segid c) and !((resid 44 and name HA ) or (resid 8 and name HA ) or (resid 7 and name HA ))) ! 4.0 2.2 2.5 ! A.364 at 4.96e+05 ! Y45 assign (segid b and resid 45 and name HD# ) ( segid a and resid 1 and name HE# ) 4.0 2.2 2.5 ! A.317 at 9.53e+05 assign (segid b and resid 45 and name HE# ) ( segid a and resid 1 and name HE# ) 4.0 2.2 1.5 ! C.279 at 1.11e+07 assign (segid b and resid 45 and name HD# ) ( segid d and resid 48 and name HB# ) 4.0 2.2 2.5 ! A.57 at 2.02e+06 assign (segid b and resid 45 and name HE# ) ( segid d and resid 48 and name HB# ) 4.0 2.2 1.5 ! A.58 at 2.95e+06 assign (segid b and resid 45 and name HD# ) ( segid d and resid 49 and name HN ) 4.0 2.2 1.0 ! B.461 at 1.18e+06 assign (segid b and resid 45 and name HD# ) ( segid d and resid 50 and name HG# ) 4.0 2.2 2.0 ! C.69 at -6.35e+05 assign (segid b and resid 45 and name HE# ) ( segid d and resid 50 and name HG# ) 4.0 2.2 2.0 ! C.1430 at 7.61e+05 assign (segid b and resid 45 and name HA ) ( segid d and resid 50 and name HG# ) 4.0 2.2 1.0 ! C.1039 at 1.16e+06 assign (segid b and resid 45 and name HD# ) ( segid d and resid 50 and name HE# ) 4.0 2.2 2.0 ! C.644 at -1.05e+06 assign (segid b and resid 45 and name HE# ) ( segid d and resid 50 and name HE# ) 4.0 2.2 1.0 ! C.643 at -2.44e+06 assign (segid b and resid 45 and name HA ) ( segid d and resid 50 and name HA ) 4.0 2.2 1.0 ! C.437 at 3.10e+06 assign (segid b and resid 45 and name HA ) ( segid d and resid 50 and name HB# ) 4.0 2.2 2.0 ! C.1429 at 6.24e+05 assign (segid b and resid 45 and name HA ) ( segid d and resid 51 and name HN ) 4.0 2.2 2.0 ! B.372 at 7.59e+05 ! D46 assign (segid b and resid 46 and name HB# ) ( segid d and ((resid 49 and name HB ) or (resid 51 and name HB ) or (resid 53 and name HB ))) 4.0 2.2 1.0 ! A.15 at -1.27e+06 constraint loosened assign (segid b and resid 46 and name HB# ) ( segid d and ((resid 49 and name HG2# ) or (resid 51 and name HG2# ) or (resid 53 and name HG2# ) or (resid 52 and name HB# ))) 4.0 2.2 1.5 ! A.14 at -1.04e+06 assign (segid b and resid 46 and name HA ) ( segid d and ((resid 49 and name HB ) or (resid 51 and name HB ) or (resid 53 and name HB ))) 4.0 2.2 2.0 ! A.389 at -4.31e+05 assign (segid b and resid 46 and name HA ) ( segid d and resid 51 and name HN ) 4.0 2.2 1.0 ! B.610 at 1.48e+06 ! D47 assign (segid b and resid 47 and name HB# ) ( segid c and resid 2 and name HE2# ) 4.0 2.2 2.0 ! C.582 at -6.21e+05 ! A48 assign (segid b and resid 48 and name HB# ) ( segid d and resid 45 and name HD# ) 4.0 2.2 2.5 ! A.57 at 2.02e+06 assign (segid b and resid 48 and name HB# ) ( segid d and resid 45 and name HE# ) 4.0 2.2 1.5 ! A.58 at 2.95e+06 ! T49 assign (segid b and resid 49 and name HA ) ( segid c and resid 2 and name HN ) 3.0 1.2 0.5 ! B.1 at 1.96e+06 assign (segid b and resid 49 and name HA ) ( segid c and resid 2 and name HB# ) 4.0 2.2 1.0 ! A.273 at 1.06e+06 assign (segid b and resid 49 and name HN ) ( segid d and resid 45 and name HD# ) 4.0 2.2 1.0 ! B.461 at 1.18e+06 assign (segid b and resid 49 and name HB ) ( segid d and ((resid 46 and name HA ) or (resid 22 and name HA ) or (resid 6 and name HA ))) 4.0 2.2 2.0 ! A.386 at 4.43e+05 assign (segid b and resid 49 and name HB ) ( segid d and ((resid 46 and name HB# ) or (resid 47 and name HB# ) or (resid 26 and name HB# ))) 4.0 2.2 1.0 ! A.314 at 8.73e+05 assign (segid b and resid 49 and name HB ) ( segid d and ((resid 46 and name HB# ) or (resid 47 and name HB# ) or (resid 52 and name HB# ) or (resid 26 and name HB# ))) 4.0 2.2 1.0 ! A.313 at 1.08e+06 ! K50 assign (segid b and resid 50 and name HG# ) ( segid c and resid 1 and name HE# ) 4.0 2.2 1.5 ! C.285 at 2.72e+06 assign (segid b and resid 50 and name HD# ) ( segid c and resid 1 and name HE# ) 4.0 2.2 2.5 ! A.375 at 5.47e+05 assign (segid b and resid 50 and name HE# ) ( segid c and resid 1 and name HE# ) 3.0 1.2 0.8 ! A.16 at -1.75e+06 assign (segid b and resid 50 and name HN ) ( segid c and resid 3 and name HA ) 4.0 2.2 1.0 ! B.567 at 1.06e+06 assign (segid b and resid 50 and name HD# ) ( segid c and resid 3 and name HE# ) 4.0 2.2 1.0 ! C.1219 at 1.82e+06 assign (segid b and resid 50 and name HD# ) ( segid c and resid 3 and name HD# ) 4.0 2.2 2.0 ! C.1532 at 6.69e+05 assign (segid b and resid 50 and name HG# ) ( segid c and resid 3 and name HE# ) 4.0 2.2 2.0 ! C.1439 at 5.83e+05 assign (segid b and resid 50 and name HE# ) ( segid c and resid 3 and name HE# ) 4.0 2.2 1.0 ! C.642 at -1.16e+06 assign (segid b and resid 50 and name HB# ) ( segid c and resid 3 and name HD# ) 4.0 2.2 2.0 ! C.294 at -7.78e+05 assign (segid b and resid 50 and name HB# ) ( segid c and resid 3 and name HE# ) 4.0 2.2 2.0 ! C.292 at -5.88e+05 assign (segid b and resid 50 and name HD# ) ( segid d and resid 43 and name HE3 ) 4.0 2.2 2.0 ! A.265 at 4.39e+05 assign (segid b and resid 50 and name HA ) ( segid d and resid 44 and name HN ) 4.0 2.2 2.0 ! B.325 at 4.30e+05 assign (segid b and resid 50 and name HG# ) ( segid d and resid 45 and name HD# ) 4.0 2.2 2.0 ! C.69 at -6.35e+05 assign (segid b and resid 50 and name HG# ) ( segid d and resid 45 and name HE# ) 4.0 2.2 2.0 ! C.1430 at 7.61e+05 assign (segid b and resid 50 and name HD# ) ( segid d and ((resid 45 and name HE# ) )) 4.0 2.2 2.0 ! A.264 at 5.12e+05 assign (segid b and resid 50 and name HG# ) ( segid d and resid 45 and name HA ) 4.0 2.2 1.0 ! C.1039 at 1.16e+06 assign (segid b and resid 50 and name HE# ) ( segid d and resid 45 and name HD# ) 4.0 2.2 2.0 ! C.644 at -1.05e+06 assign (segid b and resid 50 and name HE# ) ( segid d and resid 45 and name HE# ) 4.0 2.2 1.0 ! C.643 at -2.44e+06 assign (segid b and resid 50 and name HA ) ( segid d and resid 45 and name HA ) 4.0 2.2 1.0 ! C.437 at 3.10e+06 assign (segid b and resid 50 and name HB# ) ( segid d and resid 45 and name HA ) 4.0 2.2 2.0 ! C.1429 at 6.24e+05 ! T51 assign (segid b and resid 51 and name HA ) ( segid c and resid 3 and name HA ) 4.0 2.2 2.0 ! C.467 at 1.07e+06 assign (segid b and resid 51 and name HA ) ( segid c and resid 4 and name HN ) 4.0 2.2 1.0 ! C.471 at 2.53e+06 assign (segid b and resid 51 and name HA ) ( segid c and resid 4 and name HB# ) 4.0 2.2 1.0 ! C.268 at -1.71e+06 assign (segid b and resid 51 and name HG2# ) ( segid c and resid 4 and name HN ) 4.0 2.2 1.5 ! B.28 at 1.00e+06 assign (segid b and resid 51 and name HN ) ( segid d and resid 43 and name HA ) 4.0 2.2 2.0 ! B.615 at 4.22e+05 assign (segid b and resid 51 and name HN ) ( segid d and resid 45 and name HA ) 4.0 2.2 2.0 ! B.3 assign (segid b and resid 51 and name HN ) ( segid d and resid 46 and name HA ) 4.0 2.2 1.0 ! B.610 at 1.48e+06 assign (segid b and resid 51 and name HB ) ( segid d and resid 46 and name HA ) 3.0 1.2 0.3 ! C.1167 at 3.32e+06 ! F52 assign (segid b and resid 52 and name HN ) ( segid c and resid 4 and name HN ) 4.0 2.2 2.0 ! B.379 at 5.26e+05 assign (segid b and resid 52 and name HN ) ( segid c and resid 5 and name HA ) 4.0 2.2 1.0 ! B.385 at 9.98e+05 assign (segid b and resid 52 and name HE# ) ( segid d and ((resid 31 and name HD# ) or (resid 27 and name HB# ))) 4.0 2.2 2.0 ! A.258 at 8.35e+05 assign (segid b and resid 52 and name HD# ) ( segid d and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.343 at 5.39e+05 assign (segid b and resid 52 and name HZ ) ( segid d and resid 31 and name HA ) 4.0 2.2 2.0 ! A.93 at 8.14e+05 assign (segid b and resid 52 and name HE# ) ( segid d and resid 31 and name HA ) 4.0 2.2 2.0 ! A.92 at 9.10e+05 assign (segid b and resid 52 and name HE# ) ( segid d and ((resid 31 and name HB# ) or (resid 21 and name HB ))) 4.0 2.2 2.0 ! A.409 at -4.52e+05 assign (segid b and resid 52 and name HZ ) ( segid d and resid 31 and name HG# ) 4.0 2.2 2.0 ! A.194 at 5.67e+05 assign (segid b and resid 52 and name HE# ) ( segid d and resid 34 and name HB# ) 4.0 2.2 2.0 ! C.1647 at -5.56e+05 assign (segid b and resid 52 and name HE# ) ( segid d and resid 39 and name HG1# ) 4.0 2.2 1.5 ! A.336 at 1.19e+06 assign (segid b and resid 52 and name HD# ) ( segid d and resid 39 and name HG1# ) 4.0 2.2 2.5 ! A.340 at 5.08e+05 assign (segid b and resid 52 and name HE# ) ( segid d and resid 41 and name HA# ) 4.0 2.2 2.0 ! A.73 at -5.13e+05 assign (segid b and resid 52 and name HZ ) ( segid d and resid 41 and name HA# ) 4.0 2.2 1.0 ! C.992 at -1.21e+06 assign (segid b and resid 52 and name HE# ) ( segid d and resid 41 and name HN ) 4.0 2.2 1.0 ! B.285 at 7.53e+05 assign (segid b and resid 52 and name HA ) ( segid d and resid 43 and name HA ) 3.0 1.2 0.3 ! A.106 at 1.14e+06 assign (segid b and resid 52 and name HA ) ( segid d and resid 44 and name HN ) 4.0 2.2 1.0 ! B.327 at 1.04e+06 ! T53 assign (segid b and resid 53 and name HN ) ( segid d and resid 42 and name HN ) 4.0 2.2 1.0 ! B.391 at 1.58e+06 assign (segid b and resid 53 and name HN ) ( segid d and resid 43 and name HA ) 4.0 2.2 1.0 ! B.394 at 1.04e+06 assign (segid b and resid 53 and name HN ) ( segid d and resid 44 and name HN ) 4.0 2.2 2.0 ! B.392 at 5.20e+05 ! V54 assign (segid b and resid 54 and name HA ) ( segid d and resid 41 and name HA# ) 3.0 1.2 0.3 ! A.72 at -1.43e+06 assign (segid b and resid 54 and name HG2# ) ( segid d and resid 41 and name HA# ) 4.0 2.2 2.5 ! C.987 at -7.86e+05 assign (segid b and resid 54 and name HA ) ( segid d and resid 42 and name HN ) 4.0 2.2 2.0 ! B.4 ! T55 assign (segid b and resid 55 and name HN ) ( segid d and resid 39 and name HG1# ) 4.0 2.2 1.5 ! C.847 at 1.18e+06 assign (segid b and resid 55 and name HN ) ( segid d and resid 40 and name HN ) 4.0 2.2 1.0 ! B.405 at 6.92e+05 assign (segid b and resid 55 and name HN ) ( segid d and resid 40 and name HB# ) 4.0 2.2 2.0 ! B.411 at 3.57e+05 assign (segid b and resid 55 and name HB ) ( segid d and resid 40 and name HB# ) 3.0 1.2 0.3 ! C.1135 at 3.50e+06 assign (segid b and resid 55 and name HG2# ) ( segid d and resid 40 and name HB# ) 4.0 2.2 2.5 ! C.820 at -7.51e+05 assign (segid b and resid 55 and name HN ) ( segid d and resid 41 and name HA# ) 4.0 2.2 2.0 ! B.2 assign (segid b and resid 55 and name HN ) ( segid d and resid 42 and name HN ) 4.0 2.2 2.0 ! B.407 at 4.69e+05 ! E56 assign (segid b and resid 56 and name HN ) ( segid d and resid 40 and name HB# ) 4.0 2.2 2.0 ! C.804 at -1.07e+06 assign (segid b and resid 56 and name HN ) ( segid d and resid 41 and name HN ) 3.0 1.2 0.5 ! B.418 at 2.76e+06 !@ END_XPLR_NOE_FILE !@ END_XPLR_NOE_FILE !NOE inermolecular ! pck2xplr.nawk Table; Input File: c12c13noes.PCK ! Date: Mon Mar 8 18:00:11 EST 1999 ! Path: /net/kirsten1/sp2/hs124/N15noe_flip/noes ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A c12c13noes.PCK 38 0 0 7 31 ! B n15noe.PCK ! C c13noe_h2o ! Total 38 0 0 7 31 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! M1 assign (segid c and resid 1 and name HB# ) (( segid d ) and resid 6 and name HA ) 4.0 2.2 2.0 ! C.1469 at 6.29e+05 assign (segid c and resid 1 and name HE# ) (( segid d ) and resid 6 and name HA ) 4.0 2.2 1.5 ! C.277 at 2.84e+06 assign (segid c and resid 1 and name HA ) (( segid d ) and resid 6 and name HA ) 4.0 2.2 1.0 ! C.216 at 1.66e+06 assign (segid c and resid 1 and name HE# ) (( segid d ) and resid 45 and name HD# ) 4.0 2.2 2.5 ! A.317 at 9.53e+05 assign (segid c and resid 1 and name HE# ) (( segid d ) and resid 45 and name HE# ) 4.0 2.2 1.5 ! C.279 at 1.11e+07 assign (segid c and resid 1 and name HE# ) (segid b and ( (resid 50 and name HA ) or ( resid 49 and name HA ))) 4.0 2.2 2.5 ! A.319 at 4.04e+05 assign (segid c and resid 1 and name HE# ) ((segid b) and resid 48 and name HB# ) 3.0 1.2 1.3 ! A.321 at 3.43e+06 assign (segid c and resid 1 and name HA ) (( segid b or segid d) and ( (resid 48 and name HB# ) or ( resid 6 and name HG1# ))) 4.0 2.2 2.5 ! A.315 at 5.82e+05 assign (segid c and resid 1 and name HE# ) ( segid b and resid 50 and name HG# ) 4.0 2.2 1.5 ! C.285 at 2.72e+06 assign (segid c and resid 1 and name HE# ) ( segid b and resid 50 and name HD# ) 4.0 2.2 2.5 ! A.375 at 5.47e+05 assign (segid c and resid 1 and name HE# ) ( segid b and resid 50 and name HE# ) 3.0 1.2 0.8 ! A.16 at -1.75e+06 ! Q2 assign (segid c and resid 2 and name HN ) ( segid d and resid 6 and name HA ) 4.0 2.2 1.0 ! B.624 at 1.74e+06 assign (segid c and resid 2 and name HA ) ( segid d and resid 6 and name HA ) 3.0 1.2 0.3 ! A.31 at 1.36e+06 assign (segid c and resid 2 and name HB# ) ( segid d and resid 6 and name HA ) 4.0 2.2 2.0 ! C.1508 at 9.02e+05 assign (segid c and resid 2 and name HA ) ( segid d and resid 6 and name HG2# ) 4.0 2.2 1.5 ! C.427 at 1.34e+06 assign (segid c and resid 2 and name HA ) ( segid d and resid 6 and name HD# ) 4.0 2.2 1.5 ! C.1347 at 1.19e+06 assign (segid c and resid 2 and name HA ) ( segid d and resid 7 and name HN ) 4.0 2.2 1.0 ! B.48 at 1.16e+06 assign (segid c and resid 2 and name HE2# ) ( segid b and resid 47 and name HB# ) 4.0 2.2 2.0 ! C.582 at -6.21e+05 assign (segid c and resid 2 and name HN ) ( segid b and resid 49 and name HA ) 3.0 1.2 0.5 ! B.1 at 1.96e+06 assign (segid c and resid 2 and name HB# ) ( segid b and resid 49 and name HA ) 4.0 2.2 1.0 ! A.273 at 1.06e+06 assign (segid c and resid 2 and name HB# ) ( segid b and resid 49 and name HG2# ) 4.0 2.2 2.5 ! A.275 at 4.94e+05 ! Y3 assign (segid c and resid 3 and name HD# ) ( segid d and resid 5 and name HG* ) 4.0 2.2 1.5 ! A.128 at 8.49e+05 assign (segid c and resid 3 and name HD# ) ( segid d and ((resid 5 and name HG* ) or (resid 30 and name HG1# ) or (resid 7 and name HD* ))) 4.0 2.2 2.5 ! A.312 at -4.21e+05 assign (segid c and resid 3 and name HE# ) ( segid d and ((resid 5 and name HG* ) or (resid 30 and name HG1# ) or (resid 7 and name HD* ))) 4.0 2.2 2.5 ! A.2 at -6.76e+05 assign (segid c and resid 3 and name HN ) ( segid d and resid 6 and name HA ) 4.0 2.2 1.0 ! B.580 at 7.84e+05 assign (segid c and resid 3 and name HE# ) ( segid d and resid 23 and name HB# ) 3.0 1.2 0.8 ! A.301 at 1.28e+06 assign (segid c and resid 3 and name HE# ) ( segid d and resid 23 and name HA ) 4.0 2.2 2.0 ! A.291 at 4.45e+05 assign (segid c and resid 3 and name HB# ) ( segid d and resid 26 and name HE# ) 4.0 2.2 2.0 ! A.284 at -5.44e+05 assign (segid c and resid 3 and name HD# ) ( segid d and resid 43 and name HZ3 ) 4.0 2.2 2.0 ! A.381 at -4.38e+05 assign (segid c and resid 3 and name HA ) ( segid b and resid 50 and name HN ) 4.0 2.2 1.0 ! B.567 at 1.06e+06 assign (segid c and resid 3 and name HE# ) ( segid b and resid 50 and name HD# ) 4.0 2.2 1.0 ! C.1219 at 1.82e+06 assign (segid c and resid 3 and name HD# ) ( segid b and resid 50 and name HD# ) 4.0 2.2 2.0 ! C.1532 at 6.69e+05 assign (segid c and resid 3 and name HE# ) ( segid b and resid 50 and name HG# ) 4.0 2.2 2.0 ! C.1439 at 5.83e+05 assign (segid c and resid 3 and name HE# ) ( segid b and resid 50 and name HE# ) 4.0 2.2 1.0 ! C.642 at -1.16e+06 assign (segid c and resid 3 and name HD# ) ( segid b and resid 50 and name HB# ) 4.0 2.2 2.0 ! C.294 at -7.78e+05 assign (segid c and resid 3 and name HE# ) ( segid b and resid 50 and name HB# ) 4.0 2.2 2.0 ! C.292 at -5.88e+05 assign (segid c and resid 3 and name HA ) ( segid b and resid 51 and name HA ) 4.0 2.2 2.0 ! C.467 at 1.07e+06 ! K4 assign (segid c and resid 4 and name HA ) ( segid d and resid 4 and name HA ) 4.0 2.2 1.0 ! A.8 at 1.03e+06 assign (segid c and resid 4 and name HN ) (( segid b) and resid 51 and name HG2# ) 4.0 2.2 1.5 ! B.28 at 1.00e+06 assign (segid c and resid 4 and name HN ) ( segid b and resid 51 and name HA ) 4.0 2.2 1.0 ! C.471 at 2.53e+06 assign (segid c and resid 4 and name HB# ) ( segid b and resid 51 and name HA ) 4.0 2.2 1.0 ! C.268 at -1.71e+06 assign (segid c and resid 4 and name HN ) ( segid b and resid 52 and name HN ) 4.0 2.2 2.0 ! B.379 at 5.26e+05 assign (segid c and resid 4 and name HG# ) ( segid b and ((resid 52 and name HB# ) or (resid 49 and name HG2# ) or (resid 51 and name HG2# ))) 4.0 2.2 1.5 ! A.185 at 6.73e+05 ! V5 assign (segid c and resid 5 and name HG* ) ( segid d and resid 3 and name HD# ) 4.0 2.2 1.0 ! A.128 at 8.49e+05 assign (segid c and resid 5 and name HA ) ( segid b and resid 52 and name HN ) 4.0 2.2 1.0 ! B.385 at 9.98e+05 assign ( segid c and resid 5 and name HG* ) (( segid d or segid b) and ((resid 33 and name HZ ) or (resid 26 and name HE# ) or (resid 52 and name HZ ))) 3.0 1.2 0.8 ! A.127 at 3.50e+06 ! I6 assign (segid c and resid 6 and name HA ) ( segid d and resid 1 and name HB# ) 4.0 2.2 2.0 ! C.1469 at 6.29e+05 assign (segid c and resid 6 and name HA ) ( segid d and resid 1 and name HE# ) 4.0 2.2 1.5 ! C.277 at 2.84e+06 assign (segid c and resid 6 and name HA ) ( segid d and resid 1 and name HA ) 4.0 2.2 1.0 ! C.216 at 1.66e+06 assign (segid c and resid 6 and name HA ) ( segid d and resid 2 and name HA ) 3.0 1.2 0.3 ! A.31 at 1.36e+06 assign (segid c and resid 6 and name HG2# ) ( segid d and resid 2 and name HA ) 4.0 2.2 1.5 ! C.427 at 1.34e+06 assign (segid c and resid 6 and name HD# ) ( segid d and resid 2 and name HA ) 4.0 2.2 1.5 ! C.1347 at 1.19e+06 assign (segid c and resid 6 and name HA ) ( segid d and resid 2 and name HB# ) 4.0 2.2 2.0 ! C.1508 at 9.02e+05 assign (segid c and resid 6 and name HA ) ( segid d and resid 3 and name HN ) 4.0 2.2 1.0 ! B.580 at 7.84e+05 ! L7 assign (segid c and resid 7 and name HN ) ( segid d and resid 2 and name HA ) 4.0 2.2 1.0 ! B.48 at 1.16e+06 assign (segid c and resid 7 and name HG ) ( segid d and resid 3 and name HE# ) 4.0 2.2 2.0 ! A.398 at 4.79e+05 assign (segid c and resid 7 and name HD* ) ( segid d and resid 3 and name HE# ) 4.0 2.2 2.5 ! A.371 at 4.88e+05 assign (segid c and resid 7 and name HD* ) ( segid d and resid 33 and name HZ ) 3.0 1.2 0.8 ! A.175 at 1.86e+06 assign (segid c and resid 7 and name HD* ) (( segid d ) and ((resid 33 and name HE# ) or (resid 33 and name HD# ) or (resid 34 and name HD# ) )) 3.0 1.2 0.8 ! A.174 at 1.71e+06 ! N8 ! G9 ! K10 ! T11 ! L12 ! K13 ! G14 ! E15 ! T16 ! T17 ! T18 ! E19 ! A20 !assign (segid c and resid 20 and name HB# ) !( (segid d or segid b) and !((resid 39 and name HG2# ) or (resid 12 and name HD* ) or !(resid 54 and name HG1# ) or (resid 6 and name HG2# ))) ! 4.0 2.2 2.0 ! A.153 at 1.59e+06 !assign (segid c and resid 20 and name HB# ) !( ( segid d or segid b) and !((resid 29 and name HG2# ) or (resid 27 and name HG# ) or !(resid 54 and name HG2# ) or (resid 7 and name HD* ) or !(resid 21 and name HG* ))) ! 4.0 2.2 3.0 ! A.405 at 5.37e+05 ! V21 assign (segid c and resid 21 and name HG* ) ( segid d and resid 34 and name HA ) 4.0 2.2 2.5 ! A.368 at 5.68e+05 assign (segid c and resid 21 and name HG* ) ( segid d and ( (resid 36 and name HB# ) or (resid 37 and name HB# ))) 4.0 2.2 2.5 ! A.363 at 7.75e+05 assign (segid c and resid 21 and name HG* ) ( segid d and resid 34 and name HZ ) 4.0 2.2 2.5 ! A.130 at 7.31e+05 ! D22 ! A23 assign (segid c and resid 23 and name HB# ) ( segid d and resid 3 and name HE# ) 3.0 1.2 0.8 ! A.301 at 1.28e+06 assign (segid c and resid 23 and name HA ) ( segid d and resid 3 and name HE# ) 4.0 2.2 2.0 ! A.291 at 4.45e+05 ! A24 ! T25 assign (segid c and resid 25 and name HB ) ( segid d and ((resid 34 and name HZ ) or (resid 43 and name HZ2 ) or (resid 26 and name HZ ))) 4.0 2.2 1.0 ! A.144 at 8.79e+05 assign (segid c and resid 25 and name HB ) ( segid d and ((resid 34 and name HD# ) or (resid 33 and name HE# ) or (resid 45 and name HE# ) or (resid 33 and name HD# ))) 4.0 2.2 1.0 ! A.143 at 8.35e+05 ! F26 assign (segid c and resid 26 and name HE# ) ( segid d and resid 3 and name HB# ) 4.0 2.2 2.0 ! A.284 at -5.44e+05 assign (segid c and resid 26 and name HZ ) ( segid d and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.294 at 6.99e+05 assign (segid c and resid 26 and name HE# ) ( segid d and resid 30 and name HG1# ) 4.0 2.2 1.5 ! A.293 at 1.38e+06 assign (segid c and resid 26 and name HE# ) ( segid d and resid 30 and name HG2# ) 4.0 2.2 1.5 ! A.162 at 1.20e+06 assign (segid c and resid 26 and name HA ) ( segid d and ((resid 34 and name HD# ) or (resid 33 and name HE# ) or (resid 45 and name HE# ) or (resid 33 and name HD# ))) 4.0 2.2 2.0 ! A.124 at 5.80e+05 ! E27 ! K28 ! V29 assign (segid c and resid 29 and name HG1# ) ( segid d and ((resid 33 and name HD# ) or (resid 33 and name HE# )) ) 4.0 2.2 1.5 ! A.119 at 1.14e+06 assign (segid c and resid 29 and name HG2# ) ( segid d and ((resid 34 and name HZ ) or (resid 43 and name HZ2 ))) 4.0 2.2 2.5 ! A.287 at 5.43e+05 assign (segid c and resid 29 and name HG1# ) ( segid d and ((resid 3 and name HB# ) or (resid 33 and name HB# ) or (resid 45 and name HB# ) or (resid 41 and name HA# ))) 4.0 2.2 2.5 ! A.372 at 5.15e+05 ! V30 assign (segid c and resid 30 and name HG1# ) (( segid d or segid a or segid b) and ((resid 26 and name HD# ) or (resid 4 and name HA ) )) 4.0 2.2 2.5 ! A.362 at 4.11e+05 assign (segid c and resid 30 and name HG1# ) ( segid d and resid 26 and name HZ ) 4.0 2.2 2.5 ! A.294 at 6.99e+05 assign (segid c and resid 30 and name HG1# ) ( segid d and resid 26 and name HE# ) 4.0 2.2 1.5 ! A.293 at 1.38e+06 assign (segid c and resid 30 and name HG2# ) ( segid d and resid 26 and name HE# ) 4.0 2.2 1.5 ! A.162 at 1.20e+06 assign (segid c and resid 30 and name HG1# ) ( segid a and resid 52 and name HD# ) 4.0 2.2 2.5 ! A.343 at 5.39e+05 assign (segid c and resid 30 and name HG1# ) ( segid a and((resid 52 and name HZ ) or (resid 33 and name HZ ) )) 4.0 2.2 2.5 ! A.384 at 5.85e+05 ! K31 assign (segid c and resid 31 and name HA ) (segid a and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.93 at 8.14e+05 assign (segid c and resid 31 and name HA ) ( segid a and resid 52 and name HE# ) 4.0 2.2 2.0 ! A.92 at 9.10e+05 assign (segid c and resid 31 and name HG# ) ( segid a and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.194 at 5.67e+05 assign (segid c and ((resid 31 and name HG# ) or (resid 28 and name HG# ))) ( segid a and resid 52 and name HE# ) 4.0 2.2 2.0 ! A.193 at 8.28e+05 ! Q32 ! F33 assign (segid c and resid 33 and name HZ ) ( segid d and resid 7 and name HD* ) 3.0 1.2 0.8 ! A.175 at 1.86e+06 ! F34 assign (segid c and resid 34 and name HB# ) ( segid a and ((resid 52 and name HZ ) )) 4.0 2.2 2.0 ! A.298 at -4.40e+05 assign (segid c and resid 34 and name HZ ) ( segid d and ((resid 25 and name HG2# ) or (resid 20 and name HB# ) )) 4.0 2.2 2.5 ! A.197 at -6.60e+05 assign (segid c and resid 34 and name HZ ) ( segid d and ( (resid 27 and name HG# ) or (resid 29 and name HG2# ) or (resid 7 and name HD* ) or (resid 21 and name HG* ))) 4.0 2.2 2.5 ! A.195 at -7.25e+05 assign (segid c and resid 34 and name HB# ) ( segid a and resid 52 and name HE# ) 4.0 2.2 2.0 ! C.1647 at -5.56e+05 ! N35 ! D36 ! N37 ! G38 ! V39 assign (segid c and resid 39 and name HG1# ) ( segid a and resid 55 and name HN ) 4.0 2.2 1.5 ! C.847 at 1.18e+06 assign (segid c and resid 39 and name HG1# ) ( segid a and resid 52 and name HE# ) 4.0 2.2 1.5 ! A.336 at 1.19e+06 assign (segid c and resid 39 and name HG1# ) ( segid a and resid 52 and name HD# ) 4.0 2.2 2.5 ! A.340 at 5.08e+05 assign (segid c and resid 39 and name HG1# ) ( segid a and ((resid 52 and name HZ ) )) 4.0 2.2 2.5 ! A.337 at 4.67e+05 assign (segid c and resid 39 and name HG1# ) ((segid a or segid d or segid c ) and (( resid 54 and name HA ) or (resid 21 and name HA ) or (resid 32 and name HA ) or (resid 24 and name HA ))) 4.0 2.2 2.5 ! A.338 at 7.67e+05 assign (segid c and resid 39 and name HG1# ) ( segid a and ((resid 52 and name HB# ) or (resid 53 and name HG2# ) or (resid 49 and name HG2# ) or (resid 51 and name HG2# ))) 3.0 1.2 1.3 ! A.407 at 2.45e+06 assign (segid c and resid 39 and name HG2# ) ( segid d and ((resid 20 and name HB# ) or (resid 25 and name HG2# ) or (resid 7 and name HG ) or (resid 13 and name HG# ) or (resid 10 and name HG# ) )) 4.0 2.2 2.0 ! A.309 at 1.19e+06 ! D40 assign (segid c and resid 40 and name HN ) ( segid a and resid 55 and name HN ) 4.0 2.2 1.0 ! B.405 at 6.92e+05 assign (segid c and resid 40 and name HB# ) ( segid a and resid 55 and name HN ) 4.0 2.2 2.0 ! B.411 at 3.57e+05 assign (segid c and resid 40 and name HB# ) ( segid a and resid 55 and name HB ) 3.0 1.2 0.3 ! C.1135 at 3.50e+06 assign (segid c and resid 40 and name HB# ) ( segid a and resid 55 and name HG2# ) 4.0 2.2 2.5 ! C.820 at -7.51e+05 assign (segid c and resid 40 and name HB# ) ( segid a and resid 56 and name HN ) 4.0 2.2 2.0 ! C.804 at -1.07e+06 ! G41 assign (segid c and resid 41 and name HA# ) ( segid a and resid 52 and name HE# ) 4.0 2.2 2.0 ! A.73 at -5.13e+05 assign (segid c and resid 41 and name HA# ) ( segid a and resid 52 and name HZ ) 4.0 2.2 1.0 ! C.992 at -1.21e+06 assign (segid c and resid 41 and name HN ) ( segid a and resid 52 and name HE# ) 4.0 2.2 1.0 ! B.285 at 7.53e+05 assign (segid c and resid 41 and name HA# ) ( segid a and resid 54 and name HA ) 3.0 1.2 0.3 ! A.72 at -1.43e+06 assign (segid c and resid 41 and name HA# ) ( segid a and resid 54 and name HG2# ) 4.0 2.2 2.5 ! C.987 at -7.86e+05 assign (segid c and resid 41 and name HA# ) ( segid a and resid 55 and name HN ) 4.0 2.2 2.0 ! B.2 assign (segid c and resid 41 and name HN ) ( segid a and resid 56 and name HN ) 3.0 1.2 0.5 ! B.418 at 2.76e+06 ! E42 assign (segid c and resid 42 and name HN ) ( segid a and resid 52 and name HB# ) 4.0 2.2 2.0 ! B.304 at 5.53e+05 assign (segid c and resid 42 and name HN ) ( segid a and resid 52 and name HE# ) 4.0 2.2 2.0 ! B.297 at 5.09e+05 assign (segid c and resid 42 and name HA ) ( segid a and resid 52 and name HE# ) 4.0 2.2 1.0 ! A.290 at -8.00+05 assign (segid c and resid 42 and name HN ) ( segid a and resid 53 and name HN ) 4.0 2.2 1.0 ! B.391 at 1.58e+06 assign (segid c and resid 42 and name HN ) ( segid a and resid 54 and name HA ) 4.0 2.2 2.0 ! B.4 assign (segid c and resid 42 and name HN ) ( segid a and resid 55 and name HN ) 4.0 2.2 2.0 ! B.407 at 4.69e+05 ! W43 assign (segid c and resid 43 and name HZ3 ) ( segid d and resid 3 and name HD# ) 4.0 2.2 2.0 ! A.381 at -4.38e+05 assign (segid c and resid 43 and name HA ) ( segid a and resid 51 and name HN ) 4.0 2.2 2.0 ! B.615 at 4.22e+05 assign (segid c and resid 43 and name HA ) ( segid a and resid 52 and name HA ) 3.0 1.2 0.3 ! A.106 at 1.14e+06 assign (segid c and resid 43 and name HA ) ( segid a and resid 53 and name HN ) 4.0 2.2 1.0 ! B.394 at 1.04e+06 ! T44 assign (segid c and ((resid 44 and name HA ) or (resid 45 and name HA ))) ( segid a and ((resid 50 and name HA ) or (resid 49 and name HA ))) 3.0 1.2 0.3 ! A.100 at 1.61e+06 assign (segid c and resid 44 and name HN ) ( segid a and resid 50 and name HA ) 4.0 2.2 2.0 ! B.325 at 4.30e+05 assign (segid c and resid 44 and name HN ) ( segid a and resid 52 and name HA ) 4.0 2.2 1.0 ! B.327 at 1.04e+06 assign (segid c and resid 44 and name HN ) ( segid a and resid 53 and name HN ) 4.0 2.2 2.0 ! B.392 at 5.20e+05 !assign (segid c and ((resid 44 and name HG2# ) or (resid 55 and name HG2# ))) !(( segid d or segid a or segid b) and !((resid 44 and name HA ) or (resid 8 and name HA ) or (resid 7 and name HA ))) ! 4.0 2.2 2.5 ! A.364 at 4.96e+05 ! Y45 assign (segid c and resid 45 and name HD# ) ( segid d and resid 1 and name HE# ) 4.0 2.2 2.5 ! A.317 at 9.53e+05 assign (segid c and resid 45 and name HE# ) ( segid d and resid 1 and name HE# ) 4.0 2.2 1.5 ! C.279 at 1.11e+07 assign (segid c and resid 45 and name HD# ) ( segid a and resid 48 and name HB# ) 4.0 2.2 2.5 ! A.57 at 2.02e+06 assign (segid c and resid 45 and name HE# ) ( segid a and resid 48 and name HB# ) 4.0 2.2 1.5 ! A.58 at 2.95e+06 assign (segid c and resid 45 and name HD# ) ( segid a and resid 49 and name HN ) 4.0 2.2 1.0 ! B.461 at 1.18e+06 assign (segid c and resid 45 and name HD# ) ( segid a and resid 50 and name HG# ) 4.0 2.2 2.0 ! C.69 at -6.35e+05 assign (segid c and resid 45 and name HE# ) ( segid a and resid 50 and name HG# ) 4.0 2.2 2.0 ! C.1430 at 7.61e+05 assign (segid c and resid 45 and name HA ) ( segid a and resid 50 and name HG# ) 4.0 2.2 1.0 ! C.1039 at 1.16e+06 assign (segid c and resid 45 and name HD# ) ( segid a and resid 50 and name HE# ) 4.0 2.2 2.0 ! C.644 at -1.05e+06 assign (segid c and resid 45 and name HE# ) ( segid a and resid 50 and name HE# ) 4.0 2.2 1.0 ! C.643 at -2.44e+06 assign (segid c and resid 45 and name HA ) ( segid a and resid 50 and name HA ) 4.0 2.2 1.0 ! C.437 at 3.10e+06 assign (segid c and resid 45 and name HA ) ( segid a and resid 50 and name HB# ) 4.0 2.2 2.0 ! C.1429 at 6.24e+05 assign (segid c and resid 45 and name HA ) ( segid a and resid 51 and name HN ) 4.0 2.2 2.0 ! B.372 at 7.59e+05 ! D46 assign (segid c and resid 46 and name HB# ) ( segid a and ((resid 49 and name HB ) or (resid 51 and name HB ) or (resid 53 and name HB ))) 4.0 2.2 1.0 ! A.15 at -1.27e+06 constraint loosened assign (segid c and resid 46 and name HB# ) ( segid a and ((resid 49 and name HG2# ) or (resid 51 and name HG2# ) or (resid 53 and name HG2# ) or (resid 52 and name HB# ))) 4.0 2.2 1.5 ! A.14 at -1.04e+06 assign (segid c and resid 46 and name HA ) ( segid a and ((resid 49 and name HB ) or (resid 51 and name HB ) or (resid 53 and name HB ))) 4.0 2.2 2.0 ! A.389 at -4.31e+05 assign (segid c and resid 46 and name HA ) ( segid a and resid 51 and name HN ) 4.0 2.2 1.0 ! B.610 at 1.48e+06 ! D47 assign (segid c and resid 47 and name HB# ) ( segid b and resid 2 and name HE2# ) 4.0 2.2 2.0 ! C.582 at -6.21e+05 ! A48 assign (segid c and resid 48 and name HB# ) ( segid a and resid 45 and name HD# ) 4.0 2.2 2.5 ! A.57 at 2.02e+06 assign (segid c and resid 48 and name HB# ) ( segid a and resid 45 and name HE# ) 4.0 2.2 1.5 ! A.58 at 2.95e+06 ! T49 assign (segid c and resid 49 and name HA ) ( segid b and resid 2 and name HN ) 3.0 1.2 0.5 ! B.1 at 1.96e+06 assign (segid c and resid 49 and name HA ) ( segid b and resid 2 and name HB# ) 4.0 2.2 1.0 ! A.273 at 1.06e+06 assign (segid c and resid 49 and name HN ) ( segid a and resid 45 and name HD# ) 4.0 2.2 1.0 ! B.461 at 1.18e+06 assign (segid c and resid 49 and name HB ) ( segid a and ((resid 46 and name HA ) or (resid 22 and name HA ) or (resid 6 and name HA ))) 4.0 2.2 2.0 ! A.386 at 4.43e+05 assign (segid c and resid 49 and name HB ) ( segid a and ((resid 46 and name HB# ) or (resid 47 and name HB# ) or (resid 26 and name HB# ))) 4.0 2.2 1.0 ! A.314 at 8.73e+05 assign (segid c and resid 49 and name HB ) ( segid a and ((resid 46 and name HB# ) or (resid 47 and name HB# ) or (resid 52 and name HB# ) or (resid 26 and name HB# ))) 4.0 2.2 1.0 ! A.313 at 1.08e+06 ! K50 assign (segid c and resid 50 and name HG# ) ( segid b and resid 1 and name HE# ) 4.0 2.2 1.5 ! C.285 at 2.72e+06 assign (segid c and resid 50 and name HD# ) ( segid b and resid 1 and name HE# ) 4.0 2.2 2.5 ! A.375 at 5.47e+05 assign (segid c and resid 50 and name HE# ) ( segid b and resid 1 and name HE# ) 3.0 1.2 0.8 ! A.16 at -1.75e+06 assign (segid c and resid 50 and name HN ) ( segid b and resid 3 and name HA ) 4.0 2.2 1.0 ! B.567 at 1.06e+06 assign (segid c and resid 50 and name HD# ) ( segid b and resid 3 and name HE# ) 4.0 2.2 1.0 ! C.1219 at 1.82e+06 assign (segid c and resid 50 and name HD# ) ( segid b and resid 3 and name HD# ) 4.0 2.2 2.0 ! C.1532 at 6.69e+05 assign (segid c and resid 50 and name HG# ) ( segid b and resid 3 and name HE# ) 4.0 2.2 2.0 ! C.1439 at 5.83e+05 assign (segid c and resid 50 and name HE# ) ( segid b and resid 3 and name HE# ) 4.0 2.2 1.0 ! C.642 at -1.16e+06 assign (segid c and resid 50 and name HB# ) ( segid b and resid 3 and name HD# ) 4.0 2.2 2.0 ! C.294 at -7.78e+05 assign (segid c and resid 50 and name HB# ) ( segid b and resid 3 and name HE# ) 4.0 2.2 2.0 ! C.292 at -5.88e+05 assign (segid c and resid 50 and name HD# ) ( segid a and resid 43 and name HE3 ) 4.0 2.2 2.0 ! A.265 at 4.39e+05 assign (segid c and resid 50 and name HA ) ( segid a and resid 44 and name HN ) 4.0 2.2 2.0 ! B.325 at 4.30e+05 assign (segid c and resid 50 and name HG# ) ( segid a and resid 45 and name HD# ) 4.0 2.2 2.0 ! C.69 at -6.35e+05 assign (segid c and resid 50 and name HG# ) ( segid a and resid 45 and name HE# ) 4.0 2.2 2.0 ! C.1430 at 7.61e+05 assign (segid c and resid 50 and name HD# ) ( segid a and ((resid 45 and name HE# ) )) 4.0 2.2 2.0 ! A.264 at 5.12e+05 assign (segid c and resid 50 and name HG# ) ( segid a and resid 45 and name HA ) 4.0 2.2 1.0 ! C.1039 at 1.16e+06 assign (segid c and resid 50 and name HE# ) ( segid a and resid 45 and name HD# ) 4.0 2.2 2.0 ! C.644 at -1.05e+06 assign (segid c and resid 50 and name HE# ) ( segid a and resid 45 and name HE# ) 4.0 2.2 1.0 ! C.643 at -2.44e+06 assign (segid c and resid 50 and name HA ) ( segid a and resid 45 and name HA ) 4.0 2.2 1.0 ! C.437 at 3.10e+06 assign (segid c and resid 50 and name HB# ) ( segid a and resid 45 and name HA ) 4.0 2.2 2.0 ! C.1429 at 6.24e+05 ! T51 assign (segid c and resid 51 and name HA ) ( segid b and resid 3 and name HA ) 4.0 2.2 2.0 ! C.467 at 1.07e+06 assign (segid c and resid 51 and name HA ) ( segid b and resid 4 and name HN ) 4.0 2.2 1.0 ! C.471 at 2.53e+06 assign (segid c and resid 51 and name HA ) ( segid b and resid 4 and name HB# ) 4.0 2.2 1.0 ! C.268 at -1.71e+06 assign (segid c and resid 51 and name HG2# ) ( segid b and resid 4 and name HN ) 4.0 2.2 1.5 ! B.28 at 1.00e+06 assign (segid c and resid 51 and name HN ) ( segid a and resid 43 and name HA ) 4.0 2.2 2.0 ! B.615 at 4.22e+05 assign (segid c and resid 51 and name HN ) ( segid a and resid 45 and name HA ) 4.0 2.2 2.0 ! B.3 assign (segid c and resid 51 and name HN ) ( segid a and resid 46 and name HA ) 4.0 2.2 1.0 ! B.610 at 1.48e+06 assign (segid c and resid 51 and name HB ) ( segid a and resid 46 and name HA ) 3.0 1.2 0.3 ! C.1167 at 3.32e+06 ! F52 assign (segid c and resid 52 and name HN ) ( segid b and resid 4 and name HN ) 4.0 2.2 2.0 ! B.379 at 5.26e+05 assign (segid c and resid 52 and name HN ) ( segid b and resid 5 and name HA ) 4.0 2.2 1.0 ! B.385 at 9.98e+05 assign (segid c and resid 52 and name HE# ) ( segid a and ((resid 31 and name HD# ) or (resid 27 and name HB# ))) 4.0 2.2 2.0 ! A.258 at 8.35e+05 assign (segid c and resid 52 and name HD# ) ( segid a and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.343 at 5.39e+05 assign (segid c and resid 52 and name HZ ) ( segid a and resid 31 and name HA ) 4.0 2.2 2.0 ! A.93 at 8.14e+05 assign (segid c and resid 52 and name HE# ) ( segid a and resid 31 and name HA ) 4.0 2.2 2.0 ! A.92 at 9.10e+05 assign (segid c and resid 52 and name HE# ) ( segid a and ((resid 31 and name HB# ) or (resid 21 and name HB ))) 4.0 2.2 2.0 ! A.409 at -4.52e+05 assign (segid c and resid 52 and name HZ ) ( segid a and resid 31 and name HG# ) 4.0 2.2 2.0 ! A.194 at 5.67e+05 assign (segid c and resid 52 and name HE# ) ( segid a and resid 34 and name HB# ) 4.0 2.2 2.0 ! C.1647 at -5.56e+05 assign (segid c and resid 52 and name HE# ) ( segid a and resid 39 and name HG1# ) 4.0 2.2 1.5 ! A.336 at 1.19e+06 assign (segid c and resid 52 and name HD# ) ( segid a and resid 39 and name HG1# ) 4.0 2.2 2.5 ! A.340 at 5.08e+05 assign (segid c and resid 52 and name HE# ) ( segid a and resid 41 and name HA# ) 4.0 2.2 2.0 ! A.73 at -5.13e+05 assign (segid c and resid 52 and name HZ ) ( segid a and resid 41 and name HA# ) 4.0 2.2 1.0 ! C.992 at -1.21e+06 assign (segid c and resid 52 and name HE# ) ( segid a and resid 41 and name HN ) 4.0 2.2 1.0 ! B.285 at 7.53e+05 assign (segid c and resid 52 and name HA ) ( segid a and resid 43 and name HA ) 3.0 1.2 0.3 ! A.106 at 1.14e+06 assign (segid c and resid 52 and name HA ) ( segid a and resid 44 and name HN ) 4.0 2.2 1.0 ! B.327 at 1.04e+06 ! T53 assign (segid c and resid 53 and name HN ) ( segid a and resid 42 and name HN ) 4.0 2.2 1.0 ! B.391 at 1.58e+06 assign (segid c and resid 53 and name HN ) ( segid a and resid 43 and name HA ) 4.0 2.2 1.0 ! B.394 at 1.04e+06 assign (segid c and resid 53 and name HN ) ( segid a and resid 44 and name HN ) 4.0 2.2 2.0 ! B.392 at 5.20e+05 ! V54 assign (segid c and resid 54 and name HA ) ( segid a and resid 41 and name HA# ) 3.0 1.2 0.3 ! A.72 at -1.43e+06 assign (segid c and resid 54 and name HG2# ) ( segid a and resid 41 and name HA# ) 4.0 2.2 2.5 ! C.987 at -7.86e+05 assign (segid c and resid 54 and name HA ) ( segid a and resid 42 and name HN ) 4.0 2.2 2.0 ! B.4 ! T55 assign (segid c and resid 55 and name HN ) ( segid a and resid 39 and name HG1# ) 4.0 2.2 1.5 ! C.847 at 1.18e+06 assign (segid c and resid 55 and name HN ) ( segid a and resid 40 and name HN ) 4.0 2.2 1.0 ! B.405 at 6.92e+05 assign (segid c and resid 55 and name HN ) ( segid a and resid 40 and name HB# ) 4.0 2.2 2.0 ! B.411 at 3.57e+05 assign (segid c and resid 55 and name HB ) ( segid a and resid 40 and name HB# ) 3.0 1.2 0.3 ! C.1135 at 3.50e+06 assign (segid c and resid 55 and name HG2# ) ( segid a and resid 40 and name HB# ) 4.0 2.2 2.5 ! C.820 at -7.51e+05 assign (segid c and resid 55 and name HN ) ( segid a and resid 41 and name HA# ) 4.0 2.2 2.0 ! B.2 assign (segid c and resid 55 and name HN ) ( segid a and resid 42 and name HN ) 4.0 2.2 2.0 ! B.407 at 4.69e+05 ! E56 assign (segid c and resid 56 and name HN ) ( segid a and resid 40 and name HB# ) 4.0 2.2 2.0 ! C.804 at -1.07e+06 assign (segid c and resid 56 and name HN ) ( segid a and resid 41 and name HN ) 3.0 1.2 0.5 ! B.418 at 2.76e+06 !@ END_XPLR_NOE_FILE !@ END_XPLR_NOE_FILE !NOE inermolecular ! pck2xplr.nawk Table; Input File: c12c13noes.PCK ! Date: Mon Mar 8 18:00:11 EST 1999 ! Path: /net/kirsten1/sp2/hs124/N15noe_flip/noes ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A c12c13noes.PCK 38 0 0 7 31 ! B n15noe.PCK ! C c13noe_h2o ! Total 38 0 0 7 31 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! M1 assign (segid d and resid 1 and name HB# ) (( segid c ) and resid 6 and name HA ) 4.0 2.2 2.0 ! C.1469 at 6.29e+05 assign (segid d and resid 1 and name HE# ) (( segid c ) and resid 6 and name HA ) 4.0 2.2 1.5 ! C.277 at 2.84e+06 assign (segid d and resid 1 and name HA ) (( segid c ) and resid 6 and name HA ) 4.0 2.2 1.0 ! C.216 at 1.66e+06 assign (segid d and resid 1 and name HE# ) ( segid c and resid 45 and name HD# ) 4.0 2.2 2.5 ! A.317 at 9.53e+05 assign (segid d and resid 1 and name HE# ) ( segid c and resid 45 and name HE# ) 4.0 2.2 1.5 ! C.279 at 1.11e+07 assign (segid d and resid 1 and name HE# ) (segid a and ( (resid 50 and name HA ) or ( resid 49 and name HA ))) 4.0 2.2 2.5 ! A.319 at 4.04e+05 assign (segid d and resid 1 and name HE# ) ( segid a and resid 48 and name HB# ) 3.0 1.2 1.3 ! A.321 at 3.43e+06 assign (segid d and resid 1 and name HA ) (( segid a or segid c) and ( (resid 48 and name HB# ) or ( resid 6 and name HG1# ))) 4.0 2.2 2.5 ! A.315 at 5.82e+05 assign (segid d and resid 1 and name HE# ) ( segid a and resid 50 and name HG# ) 4.0 2.2 1.5 ! C.285 at 2.72e+06 assign (segid d and resid 1 and name HE# ) ( segid a and resid 50 and name HD# ) 4.0 2.2 2.5 ! A.375 at 5.47e+05 assign (segid d and resid 1 and name HE# ) ( segid a and resid 50 and name HE# ) 3.0 1.2 0.8 ! A.16 at -1.75e+06 ! Q2 assign (segid d and resid 2 and name HN ) ( segid c and resid 6 and name HA ) 4.0 2.2 1.0 ! B.624 at 1.74e+06 assign (segid d and resid 2 and name HA ) ( segid c and resid 6 and name HA ) 3.0 1.2 0.3 ! A.31 at 1.36e+06 assign (segid d and resid 2 and name HB# ) ( segid c and resid 6 and name HA ) 4.0 2.2 2.0 ! C.1508 at 9.02e+05 assign (segid d and resid 2 and name HA ) ( segid c and resid 6 and name HG2# ) 4.0 2.2 1.5 ! C.427 at 1.34e+06 assign (segid d and resid 2 and name HA ) ( segid c and resid 6 and name HD# ) 4.0 2.2 1.5 ! C.1347 at 1.19e+06 assign (segid d and resid 2 and name HA ) ( segid c and resid 7 and name HN ) 4.0 2.2 1.0 ! B.48 at 1.16e+06 assign (segid d and resid 2 and name HE2# ) ( segid a and resid 47 and name HB# ) 4.0 2.2 2.0 ! C.582 at -6.21e+05 assign (segid d and resid 2 and name HN ) ( segid a and resid 49 and name HA ) 3.0 1.2 0.5 ! B.1 at 1.96e+06 assign (segid d and resid 2 and name HB# ) ( segid a and resid 49 and name HA ) 4.0 2.2 1.0 ! A.273 at 1.06e+06 assign (segid d and resid 2 and name HB# ) ( segid a and resid 49 and name HG2# ) 4.0 2.2 2.5 ! A.275 at 4.94e+05 ! Y3 assign (segid d and resid 3 and name HD# ) ( segid c and resid 5 and name HG* ) 4.0 2.2 1.5 ! A.128 at 8.49e+05 assign (segid d and resid 3 and name HD# ) ( segid c and ((resid 5 and name HG* ) or (resid 30 and name HG1# ) or (resid 7 and name HD* ))) 4.0 2.2 2.5 ! A.312 at -4.21e+05 assign (segid d and resid 3 and name HE# ) ( segid c and ((resid 5 and name HG* ) or (resid 30 and name HG1# ) or (resid 7 and name HD* ))) 4.0 2.2 2.5 ! A.2 at -6.76e+05 assign (segid d and resid 3 and name HN ) ( segid c and resid 6 and name HA ) 4.0 2.2 1.0 ! B.580 at 7.84e+05 assign (segid d and resid 3 and name HE# ) ( segid c and resid 23 and name HB# ) 3.0 1.2 0.8 ! A.301 at 1.28e+06 assign (segid d and resid 3 and name HE# ) ( segid c and resid 23 and name HA ) 4.0 2.2 2.0 ! A.291 at 4.45e+05 assign (segid d and resid 3 and name HB# ) ( segid c and resid 26 and name HE# ) 4.0 2.2 2.0 ! A.284 at -5.44e+05 assign (segid d and resid 3 and name HD# ) ( segid c and resid 43 and name HZ3 ) 4.0 2.2 2.0 ! A.381 at -4.38e+05 assign (segid d and resid 3 and name HA ) ( segid a and resid 50 and name HN ) 4.0 2.2 1.0 ! B.567 at 1.06e+06 assign (segid d and resid 3 and name HE# ) ( segid a and resid 50 and name HD# ) 4.0 2.2 1.0 ! C.1219 at 1.82e+06 assign (segid d and resid 3 and name HD# ) ( segid a and resid 50 and name HD# ) 4.0 2.2 2.0 ! C.1532 at 6.69e+05 assign (segid d and resid 3 and name HE# ) ( segid a and resid 50 and name HG# ) 4.0 2.2 2.0 ! C.1439 at 5.83e+05 assign (segid d and resid 3 and name HE# ) ( segid a and resid 50 and name HE# ) 4.0 2.2 1.0 ! C.642 at -1.16e+06 assign (segid d and resid 3 and name HD# ) ( segid a and resid 50 and name HB# ) 4.0 2.2 2.0 ! C.294 at -7.78e+05 assign (segid d and resid 3 and name HE# ) ( segid a and resid 50 and name HB# ) 4.0 2.2 2.0 ! C.292 at -5.88e+05 assign (segid d and resid 3 and name HA ) ( segid a and resid 51 and name HA ) 4.0 2.2 2.0 ! C.467 at 1.07e+06 ! K4 assign (segid d and resid 4 and name HA ) ( segid c and resid 4 and name HA ) 4.0 2.2 1.0 ! A.8 at 1.03e+06 assign (segid d and resid 4 and name HN ) (( segid a) and resid 51 and name HG2# ) 4.0 2.2 1.5 ! B.28 at 1.00e+06 assign (segid d and resid 4 and name HN ) ( segid a and resid 51 and name HA ) 4.0 2.2 1.0 ! C.471 at 2.53e+06 assign (segid d and resid 4 and name HB# ) ( segid a and resid 51 and name HA ) 4.0 2.2 1.0 ! C.268 at -1.71e+06 assign (segid d and resid 4 and name HN ) ( segid a and resid 52 and name HN ) 4.0 2.2 2.0 ! B.379 at 5.26e+05 assign (segid d and resid 4 and name HG# ) ( segid a and ((resid 52 and name HB# ) or (resid 49 and name HG2# ) or (resid 51 and name HG2# ))) 4.0 2.2 1.5 ! A.185 at 6.73e+05 ! V5 assign (segid d and resid 5 and name HG* ) ( segid c and resid 3 and name HD# ) 4.0 2.2 1.0 ! A.128 at 8.49e+05 assign (segid d and resid 5 and name HA ) ( segid a and resid 52 and name HN ) 4.0 2.2 1.0 ! B.385 at 9.98e+05 assign ( segid d and resid 5 and name HG* ) (( segid c or segid a) and ((resid 33 and name HZ ) or (resid 26 and name HE# ) or (resid 52 and name HZ ))) 3.0 1.2 0.8 ! A.127 at 3.50e+06 ! I6 assign (segid d and resid 6 and name HA ) ( segid c and resid 1 and name HB# ) 4.0 2.2 2.0 ! C.1469 at 6.29e+05 assign (segid d and resid 6 and name HA ) ( segid c and resid 1 and name HE# ) 4.0 2.2 1.5 ! C.277 at 2.84e+06 assign (segid d and resid 6 and name HA ) ( segid c and resid 1 and name HA ) 4.0 2.2 1.0 ! C.216 at 1.66e+06 assign (segid d and resid 6 and name HA ) ( segid c and resid 2 and name HA ) 3.0 1.2 0.3 ! A.31 at 1.36e+06 assign (segid d and resid 6 and name HG2# ) ( segid c and resid 2 and name HA ) 4.0 2.2 1.5 ! C.427 at 1.34e+06 assign (segid d and resid 6 and name HD# ) ( segid c and resid 2 and name HA ) 4.0 2.2 1.5 ! C.1347 at 1.19e+06 assign (segid d and resid 6 and name HA ) ( segid c and resid 2 and name HB# ) 4.0 2.2 2.0 ! C.1508 at 9.02e+05 assign (segid d and resid 6 and name HA ) ( segid c and resid 3 and name HN ) 4.0 2.2 1.0 ! B.580 at 7.84e+05 ! L7 assign (segid d and resid 7 and name HN ) ( segid c and resid 2 and name HA ) 4.0 2.2 1.0 ! B.48 at 1.16e+06 assign (segid d and resid 7 and name HG ) ( segid c and resid 3 and name HE# ) 4.0 2.2 2.0 ! A.398 at 4.79e+05 assign (segid d and resid 7 and name HD* ) ( segid c and resid 3 and name HE# ) 4.0 2.2 2.5 ! A.371 at 4.88e+05 assign (segid d and resid 7 and name HD* ) ( segid c and resid 33 and name HZ ) 3.0 1.2 0.8 ! A.175 at 1.86e+06 assign (segid d and resid 7 and name HD* ) (( segid c ) and ((resid 33 and name HE# ) or (resid 33 and name HD# ) or (resid 34 and name HD# ) )) 3.0 1.2 0.8 ! A.174 at 1.71e+06 ! N8 ! G9 ! K10 ! T11 ! L12 ! K13 ! G14 ! E15 ! T16 ! T17 ! T18 ! E19 ! A20 !assign (segid d and resid 20 and name HB# ) !( (segid c or segid a) and !((resid 39 and name HG2# ) or (resid 12 and name HD* ) or !(resid 54 and name HG1# ) or (resid 6 and name HG2# ))) ! 4.0 2.2 2.0 ! A.153 at 1.59e+06 !assign (segid d and resid 20 and name HB# ) !( ( segid c or segid a) and !((resid 29 and name HG2# ) or (resid 27 and name HG# ) or !(resid 54 and name HG2# ) or (resid 7 and name HD* ) or !(resid 21 and name HG* ))) ! 4.0 2.2 3.0 ! A.405 at 5.37e+05 ! V21 assign (segid d and resid 21 and name HG* ) ( segid c and resid 34 and name HA ) 4.0 2.2 2.5 ! A.368 at 5.68e+05 assign (segid d and resid 21 and name HG* ) ( segid c and ( (resid 36 and name HB# ) or (resid 37 and name HB# ))) 4.0 2.2 2.5 ! A.363 at 7.75e+05 assign (segid d and resid 21 and name HG* ) ( segid c and resid 34 and name HZ ) 4.0 2.2 2.5 ! A.130 at 7.31e+05 ! D22 ! A23 assign (segid d and resid 23 and name HB# ) ( segid c and resid 3 and name HE# ) 3.0 1.2 0.8 ! A.301 at 1.28e+06 assign (segid d and resid 23 and name HA ) ( segid c and resid 3 and name HE# ) 4.0 2.2 2.0 ! A.291 at 4.45e+05 ! A24 ! T25 assign (segid d and resid 25 and name HB ) ( segid c and ((resid 34 and name HZ ) or (resid 43 and name HZ2 ) or (resid 26 and name HZ ))) 4.0 2.2 1.0 ! A.144 at 8.79e+05 assign (segid d and resid 25 and name HB ) ( segid c and ((resid 34 and name HD# ) or (resid 33 and name HE# ) or (resid 45 and name HE# ) or (resid 33 and name HD# ))) 4.0 2.2 1.0 ! A.143 at 8.35e+05 ! F26 assign (segid d and resid 26 and name HE# ) ( segid c and resid 3 and name HB# ) 4.0 2.2 2.0 ! A.284 at -5.44e+05 assign (segid d and resid 26 and name HZ ) ( segid c and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.294 at 6.99e+05 assign (segid d and resid 26 and name HE# ) ( segid c and resid 30 and name HG1# ) 4.0 2.2 1.5 ! A.293 at 1.38e+06 assign (segid d and resid 26 and name HE# ) ( segid c and resid 30 and name HG2# ) 4.0 2.2 1.5 ! A.162 at 1.20e+06 assign (segid d and resid 26 and name HA ) ( segid c and ((resid 34 and name HD# ) or (resid 33 and name HE# ) or (resid 45 and name HE# ) or (resid 33 and name HD# ))) 4.0 2.2 2.0 ! A.124 at 5.80e+05 ! E27 ! K28 ! V29 assign (segid d and resid 29 and name HG1# ) ( segid c and ((resid 33 and name HD# ) or (resid 33 and name HE# )) ) 4.0 2.2 1.5 ! A.119 at 1.14e+06 assign (segid d and resid 29 and name HG2# ) ( segid c and ((resid 34 and name HZ ) or (resid 43 and name HZ2 ))) 4.0 2.2 2.5 ! A.287 at 5.43e+05 assign (segid d and resid 29 and name HG1# ) ( segid c and ((resid 3 and name HB# ) or (resid 33 and name HB# ) or (resid 45 and name HB# ) or (resid 41 and name HA# ))) 4.0 2.2 2.5 ! A.372 at 5.15e+05 ! V30 assign (segid d and resid 30 and name HG1# ) (( segid c or segid b or segid a) and ((resid 26 and name HD# ) or (resid 4 and name HA ) )) 4.0 2.2 2.5 ! A.362 at 4.11e+05 assign (segid d and resid 30 and name HG1# ) ( segid c and resid 26 and name HZ ) 4.0 2.2 2.5 ! A.294 at 6.99e+05 assign (segid d and resid 30 and name HG1# ) ( segid c and resid 26 and name HE# ) 4.0 2.2 1.5 ! A.293 at 1.38e+06 assign (segid d and resid 30 and name HG2# ) ( segid c and resid 26 and name HE# ) 4.0 2.2 1.5 ! A.162 at 1.20e+06 assign (segid d and resid 30 and name HG1# ) ( segid b and resid 52 and name HD# ) 4.0 2.2 2.5 ! A.343 at 5.39e+05 assign (segid d and resid 30 and name HG1# ) ( segid b and((resid 52 and name HZ ) or (resid 33 and name HZ ) )) 4.0 2.2 2.5 ! A.384 at 5.85e+05 ! K31 assign (segid d and resid 31 and name HA ) (segid b and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.93 at 8.14e+05 assign (segid d and resid 31 and name HA ) ( segid b and resid 52 and name HE# ) 4.0 2.2 2.0 ! A.92 at 9.10e+05 assign (segid d and resid 31 and name HG# ) ( segid b and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.194 at 5.67e+05 assign (segid d and ((resid 31 and name HG# ) or (resid 28 and name HG# ))) ( segid b and resid 52 and name HE# ) 4.0 2.2 2.0 ! A.193 at 8.28e+05 ! Q32 ! F33 assign (segid d and resid 33 and name HZ ) ( segid c and resid 7 and name HD* ) 3.0 1.2 0.8 ! A.175 at 1.86e+06 ! F34 assign (segid d and resid 34 and name HB# ) ( segid b and ((resid 52 and name HZ ) )) 4.0 2.2 2.0 ! A.298 at -4.40e+05 assign (segid d and resid 34 and name HZ ) ( segid c and ((resid 25 and name HG2# ) or (resid 20 and name HB# ) )) 4.0 2.2 2.5 ! A.197 at -6.60e+05 assign (segid d and resid 34 and name HZ ) ( segid c and ( (resid 27 and name HG# ) or (resid 29 and name HG2# ) or (resid 7 and name HD* ) or (resid 21 and name HG* ))) 4.0 2.2 2.5 ! A.195 at -7.25e+05 assign (segid d and resid 34 and name HB# ) ( segid b and resid 52 and name HE# ) 4.0 2.2 2.0 ! C.1647 at -5.56e+05 ! N35 ! D36 ! N37 ! G38 ! V39 assign (segid d and resid 39 and name HG1# ) ( segid b and resid 55 and name HN ) 4.0 2.2 1.5 ! C.847 at 1.18e+06 assign (segid d and resid 39 and name HG1# ) ( segid b and resid 52 and name HE# ) 4.0 2.2 1.5 ! A.336 at 1.19e+06 assign (segid d and resid 39 and name HG1# ) ( segid b and resid 52 and name HD# ) 4.0 2.2 2.5 ! A.340 at 5.08e+05 assign (segid d and resid 39 and name HG1# ) ( segid b and ((resid 52 and name HZ ) )) 4.0 2.2 2.5 ! A.337 at 4.67e+05 assign (segid d and resid 39 and name HG1# ) ((segid b or segid c or segid d ) and (( resid 54 and name HA ) or (resid 21 and name HA ) or (resid 32 and name HA ) or (resid 24 and name HA ))) 4.0 2.2 2.5 ! A.338 at 7.67e+05 assign (segid d and resid 39 and name HG1# ) ( segid b and ((resid 52 and name HB# ) or (resid 53 and name HG2# ) or (resid 49 and name HG2# ) or (resid 51 and name HG2# ))) 3.0 1.2 1.3 ! A.407 at 2.45e+06 assign (segid d and resid 39 and name HG2# ) ( segid c and ((resid 20 and name HB# ) or (resid 25 and name HG2# ) or (resid 7 and name HG ) or (resid 13 and name HG# ) or (resid 10 and name HG# ) )) 4.0 2.2 2.0 ! A.309 at 1.19e+06 ! D40 assign (segid d and resid 40 and name HN ) ( segid b and resid 55 and name HN ) 4.0 2.2 1.0 ! B.405 at 6.92e+05 assign (segid d and resid 40 and name HB# ) ( segid b and resid 55 and name HN ) 4.0 2.2 2.0 ! B.411 at 3.57e+05 assign (segid d and resid 40 and name HB# ) ( segid b and resid 55 and name HB ) 3.0 1.2 0.3 ! C.1135 at 3.50e+06 assign (segid d and resid 40 and name HB# ) ( segid b and resid 55 and name HG2# ) 4.0 2.2 2.5 ! C.820 at -7.51e+05 assign (segid d and resid 40 and name HB# ) ( segid b and resid 56 and name HN ) 4.0 2.2 2.0 ! C.804 at -1.07e+06 ! G41 assign (segid d and resid 41 and name HA# ) ( segid b and resid 52 and name HE# ) 4.0 2.2 2.0 ! A.73 at -5.13e+05 assign (segid d and resid 41 and name HA# ) ( segid b and resid 52 and name HZ ) 4.0 2.2 1.0 ! C.992 at -1.21e+06 assign (segid d and resid 41 and name HN ) ( segid b and resid 52 and name HE# ) 4.0 2.2 1.0 ! B.285 at 7.53e+05 assign (segid d and resid 41 and name HA# ) ( segid b and resid 54 and name HA ) 3.0 1.2 0.3 ! A.72 at -1.43e+06 assign (segid d and resid 41 and name HA# ) ( segid b and resid 54 and name HG2# ) 4.0 2.2 2.5 ! C.987 at -7.86e+05 assign (segid d and resid 41 and name HA# ) ( segid b and resid 55 and name HN ) 4.0 2.2 2.0 ! B.2 assign (segid d and resid 41 and name HN ) ( segid b and resid 56 and name HN ) 3.0 1.2 0.5 ! B.418 at 2.76e+06 ! E42 assign (segid d and resid 42 and name HN ) ( segid b and resid 52 and name HB# ) 4.0 2.2 2.0 ! B.304 at 5.53e+05 assign (segid d and resid 42 and name HN ) ( segid b and resid 52 and name HE# ) 4.0 2.2 2.0 ! B.297 at 5.09e+05 assign (segid d and resid 42 and name HA ) ( segid b and resid 52 and name HE# ) 4.0 2.2 1.0 ! A.290 at -8.00+05 assign (segid d and resid 42 and name HN ) ( segid b and resid 53 and name HN ) 4.0 2.2 1.0 ! B.391 at 1.58e+06 assign (segid d and resid 42 and name HN ) ( segid b and resid 54 and name HA ) 4.0 2.2 2.0 ! B.4 assign (segid d and resid 42 and name HN ) ( segid b and resid 55 and name HN ) 4.0 2.2 2.0 ! B.407 at 4.69e+05 ! W43 assign (segid d and resid 43 and name HZ3 ) ( segid c and resid 3 and name HD# ) 4.0 2.2 2.0 ! A.381 at -4.38e+05 assign (segid d and resid 43 and name HA ) ( segid b and resid 51 and name HN ) 4.0 2.2 2.0 ! B.615 at 4.22e+05 assign (segid d and resid 43 and name HA ) ( segid b and resid 52 and name HA ) 3.0 1.2 0.3 ! A.106 at 1.14e+06 assign (segid d and resid 43 and name HA ) ( segid b and resid 53 and name HN ) 4.0 2.2 1.0 ! B.394 at 1.04e+06 ! T44 assign (segid d and ((resid 44 and name HA ) or (resid 45 and name HA ))) ( segid b and ((resid 50 and name HA ) or (resid 49 and name HA ))) 3.0 1.2 0.3 ! A.100 at 1.61e+06 assign (segid d and resid 44 and name HN ) ( segid b and resid 50 and name HA ) 4.0 2.2 2.0 ! B.325 at 4.30e+05 assign (segid d and resid 44 and name HN ) ( segid b and resid 52 and name HA ) 4.0 2.2 1.0 ! B.327 at 1.04e+06 assign (segid d and resid 44 and name HN ) ( segid b and resid 53 and name HN ) 4.0 2.2 2.0 ! B.392 at 5.20e+05 !assign (segid d and ((resid 44 and name HG2# ) or (resid 55 and name HG2# ))) !(( segid c or segid b or segid a) and !((resid 44 and name HA ) or (resid 8 and name HA ) or (resid 7 and name HA ))) ! 4.0 2.2 2.5 ! A.364 at 4.96e+05 ! Y45 assign (segid d and resid 45 and name HD# ) ( segid c and resid 1 and name HE# ) 4.0 2.2 2.5 ! A.317 at 9.53e+05 assign (segid d and resid 45 and name HE# ) ( segid c and resid 1 and name HE# ) 4.0 2.2 1.5 ! C.279 at 1.11e+07 assign (segid d and resid 45 and name HD# ) ( segid b and resid 48 and name HB# ) 4.0 2.2 2.5 ! A.57 at 2.02e+06 assign (segid d and resid 45 and name HE# ) ( segid b and resid 48 and name HB# ) 4.0 2.2 1.5 ! A.58 at 2.95e+06 assign (segid d and resid 45 and name HD# ) ( segid b and resid 49 and name HN ) 4.0 2.2 1.0 ! B.461 at 1.18e+06 assign (segid d and resid 45 and name HD# ) ( segid b and resid 50 and name HG# ) 4.0 2.2 2.0 ! C.69 at -6.35e+05 assign (segid d and resid 45 and name HE# ) ( segid b and resid 50 and name HG# ) 4.0 2.2 2.0 ! C.1430 at 7.61e+05 assign (segid d and resid 45 and name HA ) ( segid b and resid 50 and name HG# ) 4.0 2.2 1.0 ! C.1039 at 1.16e+06 assign (segid d and resid 45 and name HD# ) ( segid b and resid 50 and name HE# ) 4.0 2.2 2.0 ! C.644 at -1.05e+06 assign (segid d and resid 45 and name HE# ) ( segid b and resid 50 and name HE# ) 4.0 2.2 1.0 ! C.643 at -2.44e+06 assign (segid d and resid 45 and name HA ) ( segid b and resid 50 and name HA ) 4.0 2.2 1.0 ! C.437 at 3.10e+06 assign (segid d and resid 45 and name HA ) ( segid b and resid 50 and name HB# ) 4.0 2.2 2.0 ! C.1429 at 6.24e+05 assign (segid d and resid 45 and name HA ) ( segid b and resid 51 and name HN ) 4.0 2.2 2.0 ! B.372 at 7.59e+05 ! D46 assign (segid d and resid 46 and name HB# ) ( segid b and ((resid 49 and name HB ) or (resid 51 and name HB ) or (resid 53 and name HB ))) 4.0 2.2 1.0 ! A.15 at -1.27e+06 constraint loosened assign (segid d and resid 46 and name HB# ) ( segid b and ((resid 49 and name HG2# ) or (resid 51 and name HG2# ) or (resid 53 and name HG2# ) or (resid 52 and name HB# ))) 4.0 2.2 1.5 ! A.14 at -1.04e+06 assign (segid d and resid 46 and name HA ) ( segid b and ((resid 49 and name HB ) or (resid 51 and name HB ) or (resid 53 and name HB ))) 4.0 2.2 2.0 ! A.389 at -4.31e+05 assign (segid d and resid 46 and name HA ) ( segid b and resid 51 and name HN ) 4.0 2.2 1.0 ! B.610 at 1.48e+06 ! D47 assign (segid d and resid 47 and name HB# ) ( segid a and resid 2 and name HE2# ) 4.0 2.2 2.0 ! C.582 at -6.21e+05 ! A48 assign (segid d and resid 48 and name HB# ) ( segid b and resid 45 and name HD# ) 4.0 2.2 2.5 ! A.57 at 2.02e+06 assign (segid d and resid 48 and name HB# ) ( segid b and resid 45 and name HE# ) 4.0 2.2 1.5 ! A.58 at 2.95e+06 ! T49 assign (segid d and resid 49 and name HA ) ( segid a and resid 2 and name HN ) 3.0 1.2 0.5 ! B.1 at 1.96e+06 assign (segid d and resid 49 and name HA ) ( segid a and resid 2 and name HB# ) 4.0 2.2 1.0 ! A.273 at 1.06e+06 assign (segid d and resid 49 and name HN ) ( segid b and resid 45 and name HD# ) 4.0 2.2 1.0 ! B.461 at 1.18e+06 assign (segid d and resid 49 and name HB ) ( segid b and ((resid 46 and name HA ) or (resid 22 and name HA ) or (resid 6 and name HA ))) 4.0 2.2 2.0 ! A.386 at 4.43e+05 assign (segid d and resid 49 and name HB ) ( segid b and ((resid 46 and name HB# ) or (resid 47 and name HB# ) or (resid 26 and name HB# ))) 4.0 2.2 1.0 ! A.314 at 8.73e+05 assign (segid d and resid 49 and name HB ) ( segid b and ((resid 46 and name HB# ) or (resid 47 and name HB# ) or (resid 52 and name HB# ) or (resid 26 and name HB# ))) 4.0 2.2 1.0 ! A.313 at 1.08e+06 ! K50 assign (segid d and resid 50 and name HG# ) ( segid a and resid 1 and name HE# ) 4.0 2.2 1.5 ! C.285 at 2.72e+06 assign (segid d and resid 50 and name HD# ) ( segid a and resid 1 and name HE# ) 4.0 2.2 2.5 ! A.375 at 5.47e+05 assign (segid d and resid 50 and name HE# ) ( segid a and resid 1 and name HE# ) 3.0 1.2 0.8 ! A.16 at -1.75e+06 assign (segid d and resid 50 and name HN ) ( segid a and resid 3 and name HA ) 4.0 2.2 1.0 ! B.567 at 1.06e+06 assign (segid d and resid 50 and name HD# ) ( segid a and resid 3 and name HE# ) 4.0 2.2 1.0 ! C.1219 at 1.82e+06 assign (segid d and resid 50 and name HD# ) ( segid a and resid 3 and name HD# ) 4.0 2.2 2.0 ! C.1532 at 6.69e+05 assign (segid d and resid 50 and name HG# ) ( segid a and resid 3 and name HE# ) 4.0 2.2 2.0 ! C.1439 at 5.83e+05 assign (segid d and resid 50 and name HE# ) ( segid a and resid 3 and name HE# ) 4.0 2.2 1.0 ! C.642 at -1.16e+06 assign (segid d and resid 50 and name HB# ) ( segid a and resid 3 and name HD# ) 4.0 2.2 2.0 ! C.294 at -7.78e+05 assign (segid d and resid 50 and name HB# ) ( segid a and resid 3 and name HE# ) 4.0 2.2 2.0 ! C.292 at -5.88e+05 assign (segid d and resid 50 and name HD# ) ( segid b and resid 43 and name HE3 ) 4.0 2.2 2.0 ! A.265 at 4.39e+05 assign (segid d and resid 50 and name HA ) ( segid b and resid 44 and name HN ) 4.0 2.2 2.0 ! B.325 at 4.30e+05 assign (segid d and resid 50 and name HG# ) ( segid b and resid 45 and name HD# ) 4.0 2.2 2.0 ! C.69 at -6.35e+05 assign (segid d and resid 50 and name HG# ) ( segid b and resid 45 and name HE# ) 4.0 2.2 2.0 ! C.1430 at 7.61e+05 assign (segid d and resid 50 and name HD# ) ( segid b and ((resid 45 and name HE# ) )) 4.0 2.2 2.0 ! A.264 at 5.12e+05 assign (segid d and resid 50 and name HG# ) ( segid b and resid 45 and name HA ) 4.0 2.2 1.0 ! C.1039 at 1.16e+06 assign (segid d and resid 50 and name HE# ) ( segid b and resid 45 and name HD# ) 4.0 2.2 2.0 ! C.644 at -1.05e+06 assign (segid d and resid 50 and name HE# ) ( segid b and resid 45 and name HE# ) 4.0 2.2 1.0 ! C.643 at -2.44e+06 assign (segid d and resid 50 and name HA ) ( segid b and resid 45 and name HA ) 4.0 2.2 1.0 ! C.437 at 3.10e+06 assign (segid d and resid 50 and name HB# ) ( segid b and resid 45 and name HA ) 4.0 2.2 2.0 ! C.1429 at 6.24e+05 ! T51 assign (segid d and resid 51 and name HA ) ( segid a and resid 3 and name HA ) 4.0 2.2 2.0 ! C.467 at 1.07e+06 assign (segid d and resid 51 and name HA ) ( segid a and resid 4 and name HN ) 4.0 2.2 1.0 ! C.471 at 2.53e+06 assign (segid d and resid 51 and name HA ) ( segid a and resid 4 and name HB# ) 4.0 2.2 1.0 ! C.268 at -1.71e+06 assign (segid d and resid 51 and name HG2# ) ( segid a and resid 4 and name HN ) 4.0 2.2 1.5 ! B.28 at 1.00e+06 assign (segid d and resid 51 and name HN ) ( segid b and resid 43 and name HA ) 4.0 2.2 2.0 ! B.615 at 4.22e+05 assign (segid d and resid 51 and name HN ) ( segid b and resid 45 and name HA ) 4.0 2.2 2.0 ! B.3 assign (segid d and resid 51 and name HN ) ( segid b and resid 46 and name HA ) 4.0 2.2 1.0 ! B.610 at 1.48e+06 assign (segid d and resid 51 and name HB ) ( segid b and resid 46 and name HA ) 3.0 1.2 0.3 ! C.1167 at 3.32e+06 ! F52 assign (segid d and resid 52 and name HN ) ( segid a and resid 4 and name HN ) 4.0 2.2 2.0 ! B.379 at 5.26e+05 assign (segid d and resid 52 and name HN ) ( segid a and resid 5 and name HA ) 4.0 2.2 1.0 ! B.385 at 9.98e+05 assign (segid d and resid 52 and name HE# ) ( segid b and ((resid 31 and name HD# ) or (resid 27 and name HB# ))) 4.0 2.2 2.0 ! A.258 at 8.35e+05 assign (segid d and resid 52 and name HD# ) ( segid b and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.343 at 5.39e+05 assign (segid d and resid 52 and name HZ ) ( segid b and resid 31 and name HA ) 4.0 2.2 2.0 ! A.93 at 8.14e+05 assign (segid d and resid 52 and name HE# ) ( segid b and resid 31 and name HA ) 4.0 2.2 2.0 ! A.92 at 9.10e+05 assign (segid d and resid 52 and name HE# ) ( segid b and ((resid 31 and name HB# ) or (resid 21 and name HB ))) 4.0 2.2 2.0 ! A.409 at -4.52e+05 assign (segid d and resid 52 and name HZ ) ( segid b and resid 31 and name HG# ) 4.0 2.2 2.0 ! A.194 at 5.67e+05 assign (segid d and resid 52 and name HE# ) ( segid b and resid 34 and name HB# ) 4.0 2.2 2.0 ! C.1647 at -5.56e+05 assign (segid d and resid 52 and name HE# ) ( segid b and resid 39 and name HG1# ) 4.0 2.2 1.5 ! A.336 at 1.19e+06 assign (segid d and resid 52 and name HD# ) ( segid b and resid 39 and name HG1# ) 4.0 2.2 2.5 ! A.340 at 5.08e+05 assign (segid d and resid 52 and name HE# ) ( segid b and resid 41 and name HA# ) 4.0 2.2 2.0 ! A.73 at -5.13e+05 assign (segid d and resid 52 and name HZ ) ( segid b and resid 41 and name HA# ) 4.0 2.2 1.0 ! C.992 at -1.21e+06 assign (segid d and resid 52 and name HE# ) ( segid b and resid 41 and name HN ) 4.0 2.2 1.0 ! B.285 at 7.53e+05 assign (segid d and resid 52 and name HA ) ( segid b and resid 43 and name HA ) 3.0 1.2 0.3 ! A.106 at 1.14e+06 assign (segid d and resid 52 and name HA ) ( segid b and resid 44 and name HN ) 4.0 2.2 1.0 ! B.327 at 1.04e+06 ! T53 assign (segid d and resid 53 and name HN ) ( segid b and resid 42 and name HN ) 4.0 2.2 1.0 ! B.391 at 1.58e+06 assign (segid d and resid 53 and name HN ) ( segid b and resid 43 and name HA ) 4.0 2.2 1.0 ! B.394 at 1.04e+06 assign (segid d and resid 53 and name HN ) ( segid b and resid 44 and name HN ) 4.0 2.2 2.0 ! B.392 at 5.20e+05 ! V54 assign (segid d and resid 54 and name HA ) ( segid b and resid 41 and name HA# ) 3.0 1.2 0.3 ! A.72 at -1.43e+06 assign (segid d and resid 54 and name HG2# ) ( segid b and resid 41 and name HA# ) 4.0 2.2 2.5 ! C.987 at -7.86e+05 assign (segid d and resid 54 and name HA ) ( segid b and resid 42 and name HN ) 4.0 2.2 2.0 ! B.4 ! T55 assign (segid d and resid 55 and name HN ) ( segid b and resid 39 and name HG1# ) 4.0 2.2 1.5 ! C.847 at 1.18e+06 assign (segid d and resid 55 and name HN ) ( segid b and resid 40 and name HN ) 4.0 2.2 1.0 ! B.405 at 6.92e+05 assign (segid d and resid 55 and name HN ) ( segid b and resid 40 and name HB# ) 4.0 2.2 2.0 ! B.411 at 3.57e+05 assign (segid d and resid 55 and name HB ) ( segid b and resid 40 and name HB# ) 3.0 1.2 0.3 ! C.1135 at 3.50e+06 assign (segid d and resid 55 and name HG2# ) ( segid b and resid 40 and name HB# ) 4.0 2.2 2.5 ! C.820 at -7.51e+05 assign (segid d and resid 55 and name HN ) ( segid b and resid 41 and name HA# ) 4.0 2.2 2.0 ! B.2 assign (segid d and resid 55 and name HN ) ( segid b and resid 42 and name HN ) 4.0 2.2 2.0 ! B.407 at 4.69e+05 ! E56 assign (segid d and resid 56 and name HN ) ( segid b and resid 40 and name HB# ) 4.0 2.2 2.0 ! C.804 at -1.07e+06 assign (segid d and resid 56 and name HN ) ( segid b and resid 41 and name HN ) 3.0 1.2 0.5 ! B.418 at 2.76e+06 !@ END_XPLR_NOE_FILE assign (segid a and resid 1 and name HE# ) ( segid d and resid 48 and name HA ) 4.0 2.2 1.5 ! A.14 at 5.83e+05 assign (segid a and resid 1 and name HE# ) ( segid d and resid 48 and name HB# ) 2.5 0.7 1.2 ! A.48 at 3.43e+06 assign (segid a and resid 2 and name HA ) ( segid d and resid 49 and name HA ) 4.0 2.2 2.0 ! A.33 at 4.45e+05 assign (segid a and resid 3 and name HD# ) (segid b and resid 5 and name HB ) 4.0 2.2 2.0 ! A.129 at -4.19e+05 assign (segid a and resid 3 and name HE# ) (segid b and resid 7 and name HD* ) 3.0 1.2 0.8 ! A.64 at 1.63e+06 assign (segid a and resid 3 and name HD# ) (segid b and resid 7 and name HD* ) 4.0 2.2 2.5 ! A.66 at 3.80e+05 assign (segid a and resid 3 and name HE# ) (segid b and resid 26 and name HE# ) 4.0 2.2 2.0 ! A.136 at -3.72e+05 assign (segid a and resid 3 and name HE# ) ( segid b and resid 27 and name HA ) 4.0 2.2 2.0 ! A.139 at 4.67e+05 assign (segid a and resid 4 and name HA ) ( segid b and resid 4 and name HA ) 3.0 1.2 0.3 ! A.119 at 1.03e+06 assign (segid a and resid 5 and name HB ) ( segid b and resid 3 and name HD# ) 4.0 2.2 2.0 ! A.129 at -4.19e+05 assign (segid a and resid 5 and name HG* ) (segid b and resid 26 and name HE# ) 4.0 2.2 1.5 ! A.54 at 6.90e+05 assign (segid a and resid 5 and name HG* ) ( segid b and resid 30 and name HG2# ) 4.0 2.2 2.0 ! A.62 at 9.19e+05 assign (segid a and resid 5 and name HG* ) ( segid b and resid 30 and name HG1# ) 3.0 1.2 1.3 ! A.63 at 1.95e+06 assign (segid a and resid 5 and name HG* ) ( segid b and resid 43 and name HH2 ) 3.0 1.2 0.8 ! A.56 at 1.46e+06 assign (segid a and resid 5 and name HG* ) ( segid d and resid 52 and name HD# ) 4.0 2.2 1.5 ! A.60 at 7.69e+05 assign (segid a and resid 7 and name HD* ) ( segid b and resid 3 and name HD# ) 4.0 2.2 2.5 ! A.66 at 3.80e+05 assign (segid a and resid 21 and name HG* ) ( segid b and resid 34 and name HZ ) 4.0 2.2 1.5 ! A.156 at 7.31e+05 assign (segid a and resid 21 and name HG*) ( segid b and resid 34 and name HA ) 4.0 2.2 1.5 ! A.157 at 5.68e+05 assign (segid a and resid 21 and name HG*) ( segid b and resid 33 and name HZ ) 4.0 2.2 1.5 ! A.210 at 6.32e+05 assign (segid a and resid 25 and name HB ) ( segid b and resid 34 and name HZ ) 4.0 2.2 1.0 ! A.151 at 8.79e+05 assign (segid a and resid 26 and name HE# ) ( segid b and resid 3 and name HE# ) 4.0 2.2 2.0 ! A.136 at -3.72e+05 assign (segid a and resid 26 and name HE# ) ( segid b and resid 5 and name HG* ) 4.0 2.2 1.5 ! A.54 at 6.90e+05 assign (segid a and resid 26 and name HZ ) ( segid b and resid 30 and name HG2# ) 4.0 2.2 1.5 ! A.172 at 7.42e+05 assign (segid a and resid 26 and name HD# ) ( segid b and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.184 at 4.11e+05 assign (segid a and resid 27 and name HA ) ( segid b and resid 3 and name HE# ) 4.0 2.2 1.0 ! A.139 at 4.67e+05 assign (segid a and resid 29 and name HG* ) ( segid b and resid 30 and name HA ) 4.0 2.2 2.5 ! A.179 at 5.25e+05 assign (segid a and resid 29 and name HG*) ( segid b and resid 30 and name HG2# ) 4.0 2.2 2.0 ! A.169 at 6.22e+05 assign (segid a and resid 29 and name HG* ) ( segid b and resid 33 and name HA ) 4.0 2.2 2.5 ! A.80 at 4.15e+05 assign (segid a and resid 30 and name HG2# ) ( segid b and resid 26 and name HZ ) 4.0 2.2 1.5 ! A.172 at 7.42e+05 assign (segid a and resid 30 and name HG1# ) ( segid b and resid 26 and name HD# ) 4.0 2.2 2.5 ! A.184 at 4.11e+05 assign (segid a and resid 30 and name HA ) ( segid b and resid 29 and name HG* ) 4.0 2.2 2.5 ! A.179 at 5.25e+05 assign (segid a and resid 30 and name HG2# ) ( segid b and resid 29 and name HG* ) 4.0 2.2 2.0 ! A.169 at 6.22e+05 assign (segid a and resid 30 and name HG2# ) ( segid b and resid 30 and name HG2# ) 4.0 2.2 2.0 ! A.170 at 7.68e+05 assign (segid a and resid 30 and name HG1# ) ( segid c and resid 52 and name HE# ) 4.0 2.2 2.5 ! A.26 at 3.76e+05 assign (segid a and resid 31 and name HG# ) ( segid c and resid 52 and name HE# ) 4.0 2.2 1.0 ! A.189 at 8.10e+05 assign (segid a and resid 31 and name HE#) ( segid c and resid 52 and name HE# ) 4.0 2.2 1.0 ! A.192 at -9.55e+05 assign (segid a and resid 31 and name HE# ) ( segid c and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.193 at -4.76e+05 assign (segid a and resid 33 and name HZ ) ( segid b and resid 21 and name HG* ) 4.0 2.2 1.5 ! A.210 at 6.32e+05 assign (segid a and resid 33 and name HA) ( segid b and resid 29 and name HG* ) 4.0 2.2 2.5 ! A.80 at 4.15e+05 assign (segid a and resid 33 and name HB#) ( segid b and resid 29 and name HG* ) 4.0 2.2 2.5 ! A.185 at -4.35e+05 assign (segid a and resid 34 and name HZ ) ( segid b and resid 21 and name HG* ) 4.0 2.2 1.5 ! A.156 at 7.31e+05 assign (segid a and resid 34 and name HA) (segid b and resid 21 and name HG* ) 4.0 2.2 1.5 ! A.157 at 5.68e+05 assign (segid a and resid 34 and name HZ) ( segid b and resid 25 and name HG2# ) 3.0 1.2 0.8 ! A.70 at 1.56e+06 assign (segid a and resid 34 and name HZ ) ( segid b and resid 25 and name HB ) 4.0 2.2 1.0 ! A.151 at 8.79e+05 assign (segid a and resid 34 and name HB# ) ( segid c and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.195 at -4.30e+05 assign (segid a and resid 39 and name HG* ) ( segid c and resid 52 and name HZ ) 4.0 2.2 2.5 ! A.58 at 4.67e+05 assign (segid a and resid 43 and name HH2 ) ( segid b and resid 5 and name HG* ) 3.0 1.2 0.8 ! A.56 at 1.46e+06 assign (segid a and resid 43 and name HE3 ) ( segid c and resid 50 and name HD# ) 4.0 2.2 2.0 ! A.107 at 4.39e+05 assign (segid a and resid 43 and name HZ3 ) ( segid c and resid 51 and name HA ) 4.0 2.2 1.0 ! A.117 at 7.96e+05 assign (segid a and resid 43 and name HE3 ) ( segid c and resid 51 and name HA ) 4.0 2.2 2.0 ! A.116 at 4.47e+05 assign (segid a and resid 43 and name HA ) ( segid c and resid 52 and name HD# ) 4.0 2.2 1.0 ! A.18 at 7.33e+05 assign (segid a and resid 43 and name HE3 ) ( segid c and resid 52 and name HA ) 4.0 2.2 2.0 ! A.40 at 3.77e+05 assign (segid a and resid 43 and name HD1 ) ( segid c and resid 52 and name HA ) 4.0 2.2 2.0 ! A.41 at 3.91e+05 assign (segid a and resid 43 and name HZ3 ) ( segid c and resid 52 and name HA ) 4.0 2.2 2.0 ! A.39 at 4.13e+05 assign (segid a and resid 43 and name HE3 ) ( segid c and resid 52 and name HD# ) 4.0 2.2 2.0 ! A.213 at -4.08e+05 assign (segid a and resid 43 and name HA ) ( segid c and resid 52 and name HD# ) 4.0 2.2 2.0 ! A.214 at -4.19e+05 assign (segid a and resid 44 and name HG2# ) ( segid c and resid 53 and name HB ) 3.0 1.2 0.8 ! A.231 at 2.64e+06 assign (segid a and resid 45 and name HE# ) ( segid c and resid 49 and name HA ) 4.0 2.2 2.0 ! A.230 at 3.74e+05 assign (segid a and resid 45 and name HD# ) ( segid c and resid 50 and name HE# ) 4.0 2.2 1.0 ! A.13 at -7.96e+05 assign (segid a and resid 46 and name HB# ) ( segid c and resid 49 and name HB ) 3.0 1.2 0.3 ! A.52 at 1.08e+06 assign (segid a and resid 46 and name HA ) ( segid c and resid 49 and name HB ) 4.0 2.2 2.0 ! A.225 at 4.43e+05 assign (segid a and resid 49 and name HA ) ( segid d and resid 2 and name HA ) 4.0 2.2 2.0 ! A.33 at 4.45e+05 assign (segid a and resid 49 and name HA ) ( segid c and resid 45 and name HE# ) 4.0 2.2 2.0 ! A.230 at 3.74e+05 assign (segid a and resid 49 and name HB) ( segid c and resid 46 and name HB# ) 3.0 1.2 0.3 ! A.52 at 1.08e+06 assign (segid a and resid 49 and name HB ) ( segid c and resid 46 and name HA ) 4.0 2.2 2.0 ! A.225 at 4.43e+05 assign (segid a and resid 51 and name HG2# ) ( segid d and resid 4 and name HA ) 4.0 2.2 1.5 ! A.120 at 8.05e+05 assign (segid a and resid 51 and name HA ) ( segid c and resid 43 and name HZ3 ) 4.0 2.2 1.0 ! A.117 at 7.96e+05 assign (segid a and resid 51 and name HA) ( segid c and resid 43 and name HE3 ) 4.0 2.2 2.0 ! A.116 at 4.47e+05 assign (segid a and resid 52 and name HD# ) ( segid d and resid 5 and name HG* ) 4.0 2.2 1.5 ! A.60 at 7.69e+05 assign (segid a and resid 52 and name HE# ) ( segid c and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.26 at 3.76e+05 assign (segid a and resid 52 and name HE# ) ( segid c and resid 31 and name HG# ) 4.0 2.2 1.0 ! A.189 at 8.10e+05 assign (segid a and resid 52 and name HE# ) ( segid c and resid 31 and name HE# ) 4.0 2.2 1.0 ! A.192 at -9.55e+05 assign (segid a and resid 52 and name HZ ) ( segid c and resid 31 and name HE# ) 4.0 2.2 2.0 ! A.193 at -4.76e+05 assign (segid a and resid 52 and name HZ ) ( segid c and resid 34 and name HB# ) 4.0 2.2 2.0 ! A.195 at -4.30e+05 assign (segid a and resid 52 and name HZ ) ( segid c and resid 39 and name HG* ) 4.0 2.2 2.5 ! A.58 at 4.67e+05 assign (segid a and resid 52 and name HD# ) ( segid c and resid 43 and name HA ) 4.0 2.2 1.0 ! A.18 at 7.33e+05 assign (segid a and resid 52 and name HA ) ( segid c and resid 43 and name HE3 ) 4.0 2.2 2.0 ! A.40 at 3.77e+05 assign (segid a and resid 52 and name HA ) ( segid c and resid 43 and name HD1 ) 4.0 2.2 2.0 ! A.41 at 3.91e+05 assign (segid a and resid 52 and name HA ) ( segid c and resid 43 and name HZ3 ) 4.0 2.2 2.0 ! A.39 at 4.13e+05 assign (segid a and resid 52 and name HD# ) ( segid c and resid 43 and name HA ) 4.0 2.2 2.0 ! A.214 at -4.19e+05 assign (segid a and resid 53 and name HB ) ( segid c and resid 44 and name HG2# ) 3.0 1.2 0.8 ! A.231 at 2.64e+06 assign (segid b and resid 1 and name HE# ) (segid c and resid 48 and name HA ) 4.0 2.2 1.5 ! A.14 at 5.83e+05 assign (segid b and resid 1 and name HE# ) ( segid c and resid 48 and name HB# ) 2.5 0.7 1.2 ! A.48 at 3.43e+06 assign (segid b and resid 2 and name HA ) ( segid c and resid 49 and name HA ) 4.0 2.2 2.0 ! A.33 at 4.45e+05 assign (segid b and resid 3 and name HD# ) (segid a and resid 5 and name HB ) 4.0 2.2 2.0 ! A.129 at -4.19e+05 assign (segid b and resid 3 and name HE# ) (segid a and resid 7 and name HD* ) 3.0 1.2 0.8 ! A.64 at 1.63e+06 assign (segid b and resid 3 and name HD# ) (segid a and resid 7 and name HD* ) 4.0 2.2 2.5 ! A.66 at 3.80e+05 assign (segid b and resid 3 and name HE# ) (segid a and resid 26 and name HE# ) 4.0 2.2 2.0 ! A.136 at -3.72e+05 assign (segid b and resid 3 and name HE# ) ( segid a and resid 27 and name HA ) 4.0 2.2 2.0 ! A.139 at 4.67e+05 assign (segid b and resid 4 and name HA ) ( segid a and resid 4 and name HA ) 3.0 1.2 0.3 ! A.119 at 1.03e+06 assign (segid b and resid 5 and name HB ) ( segid a and resid 3 and name HD# ) 4.0 2.2 2.0 ! A.129 at -4.19e+05 assign (segid b and resid 5 and name HG* ) (segid a and resid 26 and name HE# ) 4.0 2.2 1.5 ! A.54 at 6.90e+05 assign (segid b and resid 5 and name HG* ) ( segid a and resid 30 and name HG2# ) 4.0 2.2 2.0 ! A.62 at 9.19e+05 assign (segid b and resid 5 and name HG* ) ( segid a and resid 30 and name HG1# ) 3.0 1.2 1.3 ! A.63 at 1.95e+06 assign (segid b and resid 5 and name HG* ) ( segid a and resid 43 and name HH2 ) 3.0 1.2 0.8 ! A.56 at 1.46e+06 assign (segid b and resid 5 and name HG* ) ( segid c and resid 52 and name HD# ) 4.0 2.2 1.5 ! A.60 at 7.69e+05 assign (segid b and resid 7 and name HD* ) ( segid a and resid 3 and name HD# ) 4.0 2.2 2.5 ! A.66 at 3.80e+05 assign (segid b and resid 21 and name HG* ) ( segid a and resid 34 and name HZ ) 4.0 2.2 1.5 ! A.156 at 7.31e+05 assign (segid b and resid 21 and name HG*) ( segid a and resid 34 and name HA ) 4.0 2.2 1.5 ! A.157 at 5.68e+05 assign (segid b and resid 21 and name HG*) ( segid a and resid 33 and name HZ ) 4.0 2.2 1.5 ! A.210 at 6.32e+05 assign (segid b and resid 25 and name HB ) ( segid a and resid 34 and name HZ ) 4.0 2.2 1.0 ! A.151 at 8.79e+05 assign (segid b and resid 26 and name HE# ) ( segid a and resid 3 and name HE# ) 4.0 2.2 2.0 ! A.136 at -3.72e+05 assign (segid b and resid 26 and name HE# ) ( segid a and resid 5 and name HG* ) 4.0 2.2 1.5 ! A.54 at 6.90e+05 assign (segid b and resid 26 and name HZ ) ( segid a and resid 30 and name HG2# ) 4.0 2.2 1.5 ! A.172 at 7.42e+05 assign (segid b and resid 26 and name HD# ) ( segid a and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.184 at 4.11e+05 assign (segid b and resid 27 and name HA ) ( segid a and resid 3 and name HE# ) 4.0 2.2 1.0 ! A.139 at 4.67e+05 assign (segid b and resid 29 and name HG* ) ( segid a and resid 30 and name HA ) 4.0 2.2 2.5 ! A.179 at 5.25e+05 assign (segid b and resid 29 and name HG*) ( segid a and resid 30 and name HG2# ) 4.0 2.2 2.0 ! A.169 at 6.22e+05 assign (segid b and resid 29 and name HG* ) ( segid a and resid 33 and name HA ) 4.0 2.2 2.5 ! A.80 at 4.15e+05 assign (segid b and resid 30 and name HG2# ) ( segid a and resid 26 and name HZ ) 4.0 2.2 1.5 ! A.172 at 7.42e+05 assign (segid b and resid 30 and name HG1# ) ( segid a and resid 26 and name HD# ) 4.0 2.2 2.5 ! A.184 at 4.11e+05 assign (segid b and resid 30 and name HA ) ( segid a and resid 29 and name HG* ) 4.0 2.2 2.5 ! A.179 at 5.25e+05 assign (segid b and resid 30 and name HG2# ) ( segid a and resid 29 and name HG* ) 4.0 2.2 2.0 ! A.169 at 6.22e+05 assign (segid b and resid 30 and name HG2# ) ( segid a and resid 30 and name HG2# ) 4.0 2.2 2.0 ! A.170 at 7.68e+05 assign (segid b and resid 30 and name HG1# ) ( segid d and resid 52 and name HE# ) 4.0 2.2 2.5 ! A.26 at 3.76e+05 assign (segid b and resid 31 and name HG# ) ( segid d and resid 52 and name HE# ) 4.0 2.2 1.0 ! A.189 at 8.10e+05 assign (segid b and resid 31 and name HE#) ( segid d and resid 52 and name HE# ) 4.0 2.2 1.0 ! A.192 at -9.55e+05 assign (segid b and resid 31 and name HE# ) ( segid d and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.193 at -4.76e+05 assign (segid b and resid 33 and name HZ ) ( segid a and resid 21 and name HG* ) 4.0 2.2 1.5 ! A.210 at 6.32e+05 assign (segid b and resid 33 and name HA) ( segid a and resid 29 and name HG* ) 4.0 2.2 2.5 ! A.80 at 4.15e+05 assign (segid b and resid 33 and name HB#) ( segid a and resid 29 and name HG* ) 4.0 2.2 2.5 ! A.185 at -4.35e+05 assign (segid b and resid 34 and name HZ ) ( segid a and resid 21 and name HG* ) 4.0 2.2 1.5 ! A.156 at 7.31e+05 assign (segid b and resid 34 and name HA) (segid a and resid 21 and name HG* ) 4.0 2.2 1.5 ! A.157 at 5.68e+05 assign (segid b and resid 34 and name HZ) ( segid a and resid 25 and name HG2# ) 3.0 1.2 0.8 ! A.70 at 1.56e+06 assign (segid b and resid 34 and name HZ ) ( segid a and resid 25 and name HB ) 4.0 2.2 1.0 ! A.151 at 8.79e+05 assign (segid b and resid 34 and name HB# ) ( segid d and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.195 at -4.30e+05 assign (segid b and resid 39 and name HG* ) ( segid d and resid 52 and name HZ ) 4.0 2.2 2.5 ! A.58 at 4.67e+05 assign (segid b and resid 43 and name HH2 ) ( segid a and resid 5 and name HG* ) 3.0 1.2 0.8 ! A.56 at 1.46e+06 assign (segid b and resid 43 and name HE3 ) ( segid d and resid 50 and name HD# ) 4.0 2.2 2.0 ! A.107 at 4.39e+05 assign (segid b and resid 43 and name HZ3 ) ( segid d and resid 51 and name HA ) 4.0 2.2 1.0 ! A.117 at 7.96e+05 assign (segid b and resid 43 and name HE3 ) ( segid d and resid 51 and name HA ) 4.0 2.2 2.0 ! A.116 at 4.47e+05 assign (segid b and resid 43 and name HA ) ( segid d and resid 52 and name HD# ) 4.0 2.2 1.0 ! A.18 at 7.33e+05 assign (segid b and resid 43 and name HE3 ) ( segid d and resid 52 and name HA ) 4.0 2.2 2.0 ! A.40 at 3.77e+05 assign (segid b and resid 43 and name HD1 ) ( segid d and resid 52 and name HA ) 4.0 2.2 2.0 ! A.41 at 3.91e+05 assign (segid b and resid 43 and name HZ3 ) ( segid d and resid 52 and name HA ) 4.0 2.2 2.0 ! A.39 at 4.13e+05 assign (segid b and resid 43 and name HE3 ) ( segid d and resid 52 and name HD# ) 4.0 2.2 2.0 ! A.213 at -4.08e+05 assign (segid b and resid 43 and name HA ) ( segid d and resid 52 and name HD# ) 4.0 2.2 2.0 ! A.214 at -4.19e+05 assign (segid b and resid 44 and name HG2# ) ( segid d and resid 53 and name HB ) 3.0 1.2 0.8 ! A.231 at 2.64e+06 assign (segid b and resid 45 and name HE# ) ( segid d and resid 49 and name HA ) 4.0 2.2 2.0 ! A.230 at 3.74e+05 assign (segid b and resid 45 and name HD# ) ( segid d and resid 50 and name HE# ) 4.0 2.2 1.0 ! A.13 at -7.96e+05 assign (segid b and resid 46 and name HB# ) ( segid d and resid 49 and name HB ) 3.0 1.2 0.3 ! A.52 at 1.08e+06 assign (segid b and resid 46 and name HA ) ( segid d and resid 49 and name HB ) 4.0 2.2 2.0 ! A.225 at 4.43e+05 assign (segid b and resid 49 and name HA ) ( segid c and resid 2 and name HA ) 4.0 2.2 2.0 ! A.33 at 4.45e+05 assign (segid b and resid 49 and name HA ) ( segid d and resid 45 and name HE# ) 4.0 2.2 2.0 ! A.230 at 3.74e+05 assign (segid b and resid 49 and name HB) ( segid d and resid 46 and name HB# ) 3.0 1.2 0.3 ! A.52 at 1.08e+06 assign (segid b and resid 49 and name HB ) ( segid d and resid 46 and name HA ) 4.0 2.2 2.0 ! A.225 at 4.43e+05 assign (segid b and resid 51 and name HG2# ) ( segid c and resid 4 and name HA ) 4.0 2.2 1.5 ! A.120 at 8.05e+05 assign (segid b and resid 51 and name HA ) ( segid d and resid 43 and name HZ3 ) 4.0 2.2 1.0 ! A.117 at 7.96e+05 assign (segid b and resid 51 and name HA) ( segid d and resid 43 and name HE3 ) 4.0 2.2 2.0 ! A.116 at 4.47e+05 assign (segid b and resid 52 and name HD# ) ( segid c and resid 5 and name HG* ) 4.0 2.2 1.5 ! A.60 at 7.69e+05 assign (segid b and resid 52 and name HE# ) ( segid d and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.26 at 3.76e+05 assign (segid b and resid 52 and name HE# ) ( segid d and resid 31 and name HG# ) 4.0 2.2 1.0 ! A.189 at 8.10e+05 assign (segid b and resid 52 and name HE# ) ( segid d and resid 31 and name HE# ) 4.0 2.2 1.0 ! A.192 at -9.55e+05 assign (segid b and resid 52 and name HZ ) ( segid d and resid 31 and name HE# ) 4.0 2.2 2.0 ! A.193 at -4.76e+05 assign (segid b and resid 52 and name HZ ) ( segid d and resid 34 and name HB# ) 4.0 2.2 2.0 ! A.195 at -4.30e+05 assign (segid b and resid 52 and name HZ ) ( segid d and resid 39 and name HG* ) 4.0 2.2 2.5 ! A.58 at 4.67e+05 assign (segid b and resid 52 and name HD# ) ( segid d and resid 43 and name HA ) 4.0 2.2 1.0 ! A.18 at 7.33e+05 assign (segid b and resid 52 and name HA ) ( segid d and resid 43 and name HE3 ) 4.0 2.2 2.0 ! A.40 at 3.77e+05 assign (segid b and resid 52 and name HA ) ( segid d and resid 43 and name HD1 ) 4.0 2.2 2.0 ! A.41 at 3.91e+05 assign (segid b and resid 52 and name HA ) ( segid d and resid 43 and name HZ3 ) 4.0 2.2 2.0 ! A.39 at 4.13e+05 assign (segid b and resid 52 and name HD# ) ( segid d and resid 43 and name HA ) 4.0 2.2 2.0 ! A.214 at -4.19e+05 assign (segid b and resid 53 and name HB ) ( segid d and resid 44 and name HG2# ) 3.0 1.2 0.8 ! A.231 at 2.64e+06 assign (segid c and resid 1 and name HE# ) ( segid b and resid 48 and name HA ) 4.0 2.2 1.5 ! A.14 at 5.83e+05 assign (segid c and resid 1 and name HE# ) ( segid b and resid 48 and name HB# ) 2.5 0.7 1.2 ! A.48 at 3.43e+06 assign (segid c and resid 2 and name HA ) ( segid b and resid 49 and name HA ) 4.0 2.2 2.0 ! A.33 at 4.45e+05 assign (segid c and resid 3 and name HD# ) (segid d and resid 5 and name HB ) 4.0 2.2 2.0 ! A.129 at -4.19e+05 assign (segid c and resid 3 and name HE# ) (segid d and resid 7 and name HD* ) 3.0 1.2 0.8 ! A.64 at 1.63e+06 assign (segid c and resid 3 and name HD# ) (segid d and resid 7 and name HD* ) 4.0 2.2 2.5 ! A.66 at 3.80e+05 assign (segid c and resid 3 and name HE# ) (segid d and resid 26 and name HE# ) 4.0 2.2 2.0 ! A.136 at -3.72e+05 assign (segid c and resid 3 and name HE# ) ( segid d and resid 27 and name HA ) 4.0 2.2 2.0 ! A.139 at 4.67e+05 assign (segid c and resid 4 and name HA ) ( segid d and resid 4 and name HA ) 3.0 1.2 0.3 ! A.119 at 1.03e+06 assign (segid c and resid 5 and name HB ) ( segid d and resid 3 and name HD# ) 4.0 2.2 2.0 ! A.129 at -4.19e+05 assign (segid c and resid 5 and name HG* ) (segid d and resid 26 and name HE# ) 4.0 2.2 1.5 ! A.54 at 6.90e+05 assign (segid c and resid 5 and name HG* ) ( segid d and resid 30 and name HG2# ) 4.0 2.2 2.0 ! A.62 at 9.19e+05 assign (segid c and resid 5 and name HG* ) ( segid d and resid 30 and name HG1# ) 3.0 1.2 1.3 ! A.63 at 1.95e+06 assign (segid c and resid 5 and name HG* ) ( segid d and resid 43 and name HH2 ) 3.0 1.2 0.8 ! A.56 at 1.46e+06 assign (segid c and resid 5 and name HG* ) ( segid b and resid 52 and name HD# ) 4.0 2.2 1.5 ! A.60 at 7.69e+05 assign (segid c and resid 7 and name HD* ) ( segid d and resid 3 and name HD# ) 4.0 2.2 2.5 ! A.66 at 3.80e+05 assign (segid c and resid 21 and name HG* ) ( segid d and resid 34 and name HZ ) 4.0 2.2 1.5 ! A.156 at 7.31e+05 assign (segid c and resid 21 and name HG*) (segid d and resid 34 and name HA ) 4.0 2.2 1.5 ! A.157 at 5.68e+05 assign (segid c and resid 21 and name HG*) ( segid d and resid 33 and name HZ ) 4.0 2.2 1.5 ! A.210 at 6.32e+05 assign (segid c and resid 25 and name HB ) ( segid d and resid 34 and name HZ ) 4.0 2.2 1.0 ! A.151 at 8.79e+05 assign (segid c and resid 26 and name HE# ) ( segid d and resid 3 and name HE# ) 4.0 2.2 2.0 ! A.136 at -3.72e+05 assign (segid c and resid 26 and name HE# ) ( segid d and resid 5 and name HG* ) 4.0 2.2 1.5 ! A.54 at 6.90e+05 assign (segid c and resid 26 and name HZ ) ( segid d and resid 30 and name HG2# ) 4.0 2.2 1.5 ! A.172 at 7.42e+05 assign (segid c and resid 26 and name HD# ) ( segid d and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.184 at 4.11e+05 assign (segid c and resid 27 and name HA ) ( segid d and resid 3 and name HE# ) 4.0 2.2 1.0 ! A.139 at 4.67e+05 assign (segid c and resid 29 and name HG* ) ( segid d and resid 30 and name HA ) 4.0 2.2 2.5 ! A.179 at 5.25e+05 assign (segid c and resid 29 and name HG*) ( segid d and resid 30 and name HG2# ) 4.0 2.2 2.0 ! A.169 at 6.22e+05 assign (segid c and resid 29 and name HG* ) ( segid d and resid 33 and name HA ) 4.0 2.2 2.5 ! A.80 at 4.15e+05 assign (segid c and resid 30 and name HG2# ) ( segid d and resid 26 and name HZ ) 4.0 2.2 1.5 ! A.172 at 7.42e+05 assign (segid c and resid 30 and name HG1# ) ( segid d and resid 26 and name HD# ) 4.0 2.2 2.5 ! A.184 at 4.11e+05 assign (segid c and resid 30 and name HA ) ( segid d and resid 29 and name HG* ) 4.0 2.2 2.5 ! A.179 at 5.25e+05 assign (segid c and resid 30 and name HG2# ) ( segid d and resid 29 and name HG* ) 4.0 2.2 2.0 ! A.169 at 6.22e+05 assign (segid c and resid 30 and name HG2# ) ( segid d and resid 30 and name HG2# ) 4.0 2.2 2.0 ! A.170 at 7.68e+05 assign (segid c and resid 30 and name HG1# ) ( segid a and resid 52 and name HE# ) 4.0 2.2 2.5 ! A.26 at 3.76e+05 assign (segid c and resid 31 and name HG# ) ( segid a and resid 52 and name HE# ) 4.0 2.2 1.0 ! A.189 at 8.10e+05 assign (segid c and resid 31 and name HE#) ( segid a and resid 52 and name HE# ) 4.0 2.2 1.0 ! A.192 at -9.55e+05 assign (segid c and resid 31 and name HE# ) ( segid a and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.193 at -4.76e+05 assign (segid c and resid 33 and name HZ ) ( segid d and resid 21 and name HG* ) 4.0 2.2 1.5 ! A.210 at 6.32e+05 assign (segid c and resid 33 and name HA) ( segid d and resid 29 and name HG* ) 4.0 2.2 2.5 ! A.80 at 4.15e+05 assign (segid c and resid 33 and name HB#) ( segid d and resid 29 and name HG* ) 4.0 2.2 2.5 ! A.185 at -4.35e+05 assign (segid c and resid 34 and name HZ ) ( segid d and resid 21 and name HG* ) 4.0 2.2 1.5 ! A.156 at 7.31e+05 assign (segid c and resid 34 and name HA) (segid d and resid 21 and name HG* ) 4.0 2.2 1.5 ! A.157 at 5.68e+05 assign (segid c and resid 34 and name HZ) ( segid d and resid 25 and name HG2# ) 3.0 1.2 0.8 ! A.70 at 1.56e+06 assign (segid c and resid 34 and name HZ ) ( segid d and resid 25 and name HB ) 4.0 2.2 1.0 ! A.151 at 8.79e+05 assign (segid c and resid 34 and name HB# ) ( segid a and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.195 at -4.30e+05 assign (segid c and resid 39 and name HG* ) ( segid a and resid 52 and name HZ ) 4.0 2.2 2.5 ! A.58 at 4.67e+05 assign (segid c and resid 43 and name HH2 ) ( segid d and resid 5 and name HG* ) 3.0 1.2 0.8 ! A.56 at 1.46e+06 assign (segid c and resid 43 and name HE3 ) ( segid a and resid 50 and name HD# ) 4.0 2.2 2.0 ! A.107 at 4.39e+05 assign (segid c and resid 43 and name HZ3 ) ( segid a and resid 51 and name HA ) 4.0 2.2 1.0 ! A.117 at 7.96e+05 assign (segid c and resid 43 and name HE3 ) ( segid a and resid 51 and name HA ) 4.0 2.2 2.0 ! A.116 at 4.47e+05 assign (segid c and resid 43 and name HA ) ( segid a and resid 52 and name HD# ) 4.0 2.2 1.0 ! A.18 at 7.33e+05 assign (segid c and resid 43 and name HE3 ) ( segid a and resid 52 and name HA ) 4.0 2.2 2.0 ! A.40 at 3.77e+05 assign (segid c and resid 43 and name HD1 ) ( segid a and resid 52 and name HA ) 4.0 2.2 2.0 ! A.41 at 3.91e+05 assign (segid c and resid 43 and name HZ3 ) ( segid a and resid 52 and name HA ) 4.0 2.2 2.0 ! A.39 at 4.13e+05 assign (segid c and resid 43 and name HE3 ) ( segid a and resid 52 and name HD# ) 4.0 2.2 2.0 ! A.213 at -4.08e+05 assign (segid c and resid 43 and name HA ) ( segid a and resid 52 and name HD# ) 4.0 2.2 2.0 ! A.214 at -4.19e+05 assign (segid c and resid 44 and name HG2# ) ( segid a and resid 53 and name HB ) 3.0 1.2 0.8 ! A.231 at 2.64e+06 assign (segid c and resid 45 and name HE# ) ( segid a and resid 49 and name HA ) 4.0 2.2 2.0 ! A.230 at 3.74e+05 assign (segid c and resid 45 and name HD# ) ( segid a and resid 50 and name HE# ) 4.0 2.2 1.0 ! A.13 at -7.96e+05 assign (segid c and resid 46 and name HB# ) ( segid a and resid 49 and name HB ) 3.0 1.2 0.3 ! A.52 at 1.08e+06 assign (segid c and resid 46 and name HA ) ( segid a and resid 49 and name HB ) 4.0 2.2 2.0 ! A.225 at 4.43e+05 assign (segid c and resid 49 and name HA ) ( segid b and resid 2 and name HA ) 4.0 2.2 2.0 ! A.33 at 4.45e+05 assign (segid c and resid 49 and name HA ) ( segid a and resid 45 and name HE# ) 4.0 2.2 2.0 ! A.230 at 3.74e+05 assign (segid c and resid 49 and name HB) ( segid a and resid 46 and name HB# ) 3.0 1.2 0.3 ! A.52 at 1.08e+06 assign (segid c and resid 49 and name HB ) ( segid a and resid 46 and name HA ) 4.0 2.2 2.0 ! A.225 at 4.43e+05 assign (segid c and resid 51 and name HG2# ) ( segid b and resid 4 and name HA ) 4.0 2.2 1.5 ! A.120 at 8.05e+05 assign (segid c and resid 51 and name HA ) ( segid a and resid 43 and name HZ3 ) 4.0 2.2 1.0 ! A.117 at 7.96e+05 assign (segid c and resid 51 and name HA) ( segid a and resid 43 and name HE3 ) 4.0 2.2 2.0 ! A.116 at 4.47e+05 assign (segid c and resid 52 and name HD# ) ( segid b and resid 5 and name HG* ) 4.0 2.2 1.5 ! A.60 at 7.69e+05 assign (segid c and resid 52 and name HE# ) ( segid a and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.26 at 3.76e+05 assign (segid c and resid 52 and name HE# ) ( segid a and resid 31 and name HG# ) 4.0 2.2 1.0 ! A.189 at 8.10e+05 assign (segid c and resid 52 and name HE# ) ( segid a and resid 31 and name HE# ) 4.0 2.2 1.0 ! A.192 at -9.55e+05 assign (segid c and resid 52 and name HZ ) ( segid a and resid 31 and name HE# ) 4.0 2.2 2.0 ! A.193 at -4.76e+05 assign (segid c and resid 52 and name HZ ) ( segid a and resid 34 and name HB# ) 4.0 2.2 2.0 ! A.195 at -4.30e+05 assign (segid c and resid 52 and name HZ ) ( segid a and resid 39 and name HG* ) 4.0 2.2 2.5 ! A.58 at 4.67e+05 assign (segid c and resid 52 and name HD# ) ( segid a and resid 43 and name HA ) 4.0 2.2 1.0 ! A.18 at 7.33e+05 assign (segid c and resid 52 and name HA ) ( segid a and resid 43 and name HE3 ) 4.0 2.2 2.0 ! A.40 at 3.77e+05 assign (segid c and resid 52 and name HA ) ( segid a and resid 43 and name HD1 ) 4.0 2.2 2.0 ! A.41 at 3.91e+05 assign (segid c and resid 52 and name HA ) ( segid a and resid 43 and name HZ3 ) 4.0 2.2 2.0 ! A.39 at 4.13e+05 assign (segid c and resid 52 and name HD# ) ( segid a and resid 43 and name HA ) 4.0 2.2 2.0 ! A.214 at -4.19e+05 assign (segid c and resid 53 and name HB ) ( segid a and resid 44 and name HG2# ) 3.0 1.2 0.8 ! A.231 at 2.64e+06 assign (segid d and resid 1 and name HE# ) ( segid a and resid 48 and name HA ) 4.0 2.2 1.5 ! A.14 at 5.83e+05 assign (segid d and resid 1 and name HE# ) ( segid a and resid 48 and name HB# ) 2.5 0.7 1.2 ! A.48 at 3.43e+06 assign (segid d and resid 2 and name HA ) ( segid a and resid 49 and name HA ) 4.0 2.2 2.0 ! A.33 at 4.45e+05 assign (segid d and resid 3 and name HD# ) (segid c and resid 5 and name HB ) 4.0 2.2 2.0 ! A.129 at -4.19e+05 assign (segid d and resid 3 and name HE# ) (segid c and resid 7 and name HD* ) 3.0 1.2 0.8 ! A.64 at 1.63e+06 assign (segid d and resid 3 and name HD# ) (segid c and resid 7 and name HD* ) 4.0 2.2 2.5 ! A.66 at 3.80e+05 assign (segid d and resid 3 and name HE# ) (segid c and resid 26 and name HE# ) 4.0 2.2 2.0 ! A.136 at -3.72e+05 assign (segid d and resid 3 and name HE# ) ( segid c and resid 27 and name HA ) 4.0 2.2 2.0 ! A.139 at 4.67e+05 assign (segid d and resid 4 and name HA ) ( segid c and resid 4 and name HA ) 3.0 1.2 0.3 ! A.119 at 1.03e+06 assign (segid d and resid 5 and name HB ) ( segid c and resid 3 and name HD# ) 4.0 2.2 2.0 ! A.129 at -4.19e+05 assign (segid d and resid 5 and name HG* ) (segid c and resid 26 and name HE# ) 4.0 2.2 1.5 ! A.54 at 6.90e+05 assign (segid d and resid 5 and name HG* ) ( segid c and resid 30 and name HG2# ) 4.0 2.2 2.0 ! A.62 at 9.19e+05 assign (segid d and resid 5 and name HG* ) ( segid c and resid 30 and name HG1# ) 3.0 1.2 1.3 ! A.63 at 1.95e+06 assign (segid d and resid 5 and name HG* ) ( segid c and resid 43 and name HH2 ) 3.0 1.2 0.8 ! A.56 at 1.46e+06 assign (segid d and resid 5 and name HG* ) ( segid a and resid 52 and name HD# ) 4.0 2.2 1.5 ! A.60 at 7.69e+05 assign (segid d and resid 7 and name HD* ) ( segid c and resid 3 and name HD# ) 4.0 2.2 2.5 ! A.66 at 3.80e+05 assign (segid d and resid 21 and name HG* ) ( segid c and resid 34 and name HZ ) 4.0 2.2 1.5 ! A.156 at 7.31e+05 assign (segid d and resid 21 and name HG*) ( segid c and resid 34 and name HA ) 4.0 2.2 1.5 ! A.157 at 5.68e+05 assign (segid d and resid 21 and name HG*) ( segid c and resid 33 and name HZ ) 4.0 2.2 1.5 ! A.210 at 6.32e+05 assign (segid d and resid 25 and name HB ) ( segid c and resid 34 and name HZ ) 4.0 2.2 1.0 ! A.151 at 8.79e+05 assign (segid d and resid 26 and name HE# ) ( segid c and resid 3 and name HE# ) 4.0 2.2 2.0 ! A.136 at -3.72e+05 assign (segid d and resid 26 and name HE# ) ( segid c and resid 5 and name HG* ) 4.0 2.2 1.5 ! A.54 at 6.90e+05 assign (segid d and resid 26 and name HZ ) ( segid c and resid 30 and name HG2# ) 4.0 2.2 1.5 ! A.172 at 7.42e+05 assign (segid d and resid 26 and name HD# ) ( segid c and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.184 at 4.11e+05 assign (segid d and resid 27 and name HA ) ( segid c and resid 3 and name HE# ) 4.0 2.2 1.0 ! A.139 at 4.67e+05 assign (segid d and resid 29 and name HG* ) ( segid c and resid 30 and name HA ) 4.0 2.2 2.5 ! A.179 at 5.25e+05 assign (segid d and resid 29 and name HG*) ( segid c and resid 30 and name HG2# ) 4.0 2.2 2.0 ! A.169 at 6.22e+05 assign (segid d and resid 29 and name HG* ) ( segid c and resid 33 and name HA ) 4.0 2.2 2.5 ! A.80 at 4.15e+05 assign (segid d and resid 30 and name HG2# ) ( segid c and resid 26 and name HZ ) 4.0 2.2 1.5 ! A.172 at 7.42e+05 assign (segid d and resid 30 and name HG1# ) ( segid c and resid 26 and name HD# ) 4.0 2.2 2.5 ! A.184 at 4.11e+05 assign (segid d and resid 30 and name HA ) ( segid c and resid 29 and name HG* ) 4.0 2.2 2.5 ! A.179 at 5.25e+05 assign (segid d and resid 30 and name HG2# ) ( segid c and resid 29 and name HG* ) 4.0 2.2 2.0 ! A.169 at 6.22e+05 assign (segid d and resid 30 and name HG2# ) ( segid c and resid 30 and name HG2# ) 4.0 2.2 2.0 ! A.170 at 7.68e+05 assign (segid d and resid 30 and name HG1# ) ( segid b and resid 52 and name HE# ) 4.0 2.2 2.5 ! A.26 at 3.76e+05 assign (segid d and resid 31 and name HG# ) ( segid b and resid 52 and name HE# ) 4.0 2.2 1.0 ! A.189 at 8.10e+05 assign (segid d and resid 31 and name HE#) ( segid b and resid 52 and name HE# ) 4.0 2.2 1.0 ! A.192 at -9.55e+05 assign (segid d and resid 31 and name HE# ) ( segid b and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.193 at -4.76e+05 assign (segid d and resid 33 and name HZ ) ( segid c and resid 21 and name HG* ) 4.0 2.2 1.5 ! A.210 at 6.32e+05 assign (segid d and resid 33 and name HA) ( segid c and resid 29 and name HG* ) 4.0 2.2 2.5 ! A.80 at 4.15e+05 assign (segid d and resid 33 and name HB#) ( segid c and resid 29 and name HG* ) 4.0 2.2 2.5 ! A.185 at -4.35e+05 assign (segid d and resid 34 and name HZ ) ( segid c and resid 21 and name HG* ) 4.0 2.2 1.5 ! A.156 at 7.31e+05 assign (segid d and resid 34 and name HA) (segid c and resid 21 and name HG* ) 4.0 2.2 1.5 ! A.157 at 5.68e+05 assign (segid d and resid 34 and name HZ) ( segid c and resid 25 and name HG2# ) 3.0 1.2 0.8 ! A.70 at 1.56e+06 assign (segid d and resid 34 and name HZ ) ( segid c and resid 25 and name HB ) 4.0 2.2 1.0 ! A.151 at 8.79e+05 assign (segid d and resid 34 and name HB# ) ( segid b and resid 52 and name HZ ) 4.0 2.2 2.0 ! A.195 at -4.30e+05 assign (segid d and resid 39 and name HG* ) ( segid b and resid 52 and name HZ ) 4.0 2.2 2.5 ! A.58 at 4.67e+05 assign (segid d and resid 43 and name HH2 ) ( segid c and resid 5 and name HG* ) 3.0 1.2 0.8 ! A.56 at 1.46e+06 assign (segid d and resid 43 and name HE3 ) ( segid b and resid 50 and name HD# ) 4.0 2.2 2.0 ! A.107 at 4.39e+05 assign (segid d and resid 43 and name HZ3 ) ( segid b and resid 51 and name HA ) 4.0 2.2 1.0 ! A.117 at 7.96e+05 assign (segid d and resid 43 and name HE3 ) ( segid b and resid 51 and name HA ) 4.0 2.2 2.0 ! A.116 at 4.47e+05 assign (segid d and resid 43 and name HA ) ( segid b and resid 52 and name HD# ) 4.0 2.2 1.0 ! A.18 at 7.33e+05 assign (segid d and resid 43 and name HE3 ) ( segid b and resid 52 and name HA ) 4.0 2.2 2.0 ! A.40 at 3.77e+05 assign (segid d and resid 43 and name HD1 ) ( segid b and resid 52 and name HA ) 4.0 2.2 2.0 ! A.41 at 3.91e+05 assign (segid d and resid 43 and name HZ3 ) ( segid b and resid 52 and name HA ) 4.0 2.2 2.0 ! A.39 at 4.13e+05 assign (segid d and resid 43 and name HE3 ) ( segid b and resid 52 and name HD# ) 4.0 2.2 2.0 ! A.213 at -4.08e+05 assign (segid d and resid 43 and name HA ) ( segid b and resid 52 and name HD# ) 4.0 2.2 2.0 ! A.214 at -4.19e+05 assign (segid d and resid 44 and name HG2# ) ( segid b and resid 53 and name HB ) 3.0 1.2 0.8 ! A.231 at 2.64e+06 assign (segid d and resid 45 and name HE# ) ( segid b and resid 49 and name HA ) 4.0 2.2 2.0 ! A.230 at 3.74e+05 assign (segid d and resid 45 and name HD# ) ( segid b and resid 50 and name HE# ) 4.0 2.2 1.0 ! A.13 at -7.96e+05 assign (segid d and resid 46 and name HB# ) ( segid b and resid 49 and name HB ) 3.0 1.2 0.3 ! A.52 at 1.08e+06 assign (segid d and resid 46 and name HA ) ( segid b and resid 49 and name HB ) 4.0 2.2 2.0 ! A.225 at 4.43e+05 assign (segid d and resid 49 and name HA ) ( segid a and resid 2 and name HA ) 4.0 2.2 2.0 ! A.33 at 4.45e+05 assign (segid d and resid 49 and name HA ) ( segid b and resid 45 and name HE# ) 4.0 2.2 2.0 ! A.230 at 3.74e+05 assign (segid d and resid 49 and name HB) ( segid b and resid 46 and name HB# ) 3.0 1.2 0.3 ! A.52 at 1.08e+06 assign (segid d and resid 49 and name HB ) ( segid b and resid 46 and name HA ) 4.0 2.2 2.0 ! A.225 at 4.43e+05 assign (segid d and resid 51 and name HG2# ) ( segid a and resid 4 and name HA ) 4.0 2.2 1.5 ! A.120 at 8.05e+05 assign (segid d and resid 51 and name HA ) ( segid b and resid 43 and name HZ3 ) 4.0 2.2 1.0 ! A.117 at 7.96e+05 assign (segid d and resid 51 and name HA) ( segid b and resid 43 and name HE3 ) 4.0 2.2 2.0 ! A.116 at 4.47e+05 assign (segid d and resid 52 and name HD# ) ( segid a and resid 5 and name HG* ) 4.0 2.2 1.5 ! A.60 at 7.69e+05 assign (segid d and resid 52 and name HE# ) ( segid b and resid 30 and name HG1# ) 4.0 2.2 2.5 ! A.26 at 3.76e+05 assign (segid d and resid 52 and name HE# ) ( segid b and resid 31 and name HG# ) 4.0 2.2 1.0 ! A.189 at 8.10e+05 assign (segid d and resid 52 and name HE# ) ( segid b and resid 31 and name HE# ) 4.0 2.2 1.0 ! A.192 at -9.55e+05 assign (segid d and resid 52 and name HZ ) ( segid b and resid 31 and name HE# ) 4.0 2.2 2.0 ! A.193 at -4.76e+05 assign (segid d and resid 52 and name HZ ) ( segid b and resid 34 and name HB# ) 4.0 2.2 2.0 ! A.195 at -4.30e+05 assign (segid d and resid 52 and name HZ ) ( segid b and resid 39 and name HG* ) 4.0 2.2 2.5 ! A.58 at 4.67e+05 assign (segid d and resid 52 and name HD# ) ( segid b and resid 43 and name HA ) 4.0 2.2 1.0 ! A.18 at 7.33e+05 assign (segid d and resid 52 and name HA ) ( segid b and resid 43 and name HE3 ) 4.0 2.2 2.0 ! A.40 at 3.77e+05 assign (segid d and resid 52 and name HA ) ( segid b and resid 43 and name HD1 ) 4.0 2.2 2.0 ! A.41 at 3.91e+05 assign (segid d and resid 52 and name HA ) ( segid b and resid 43 and name HZ3 ) 4.0 2.2 2.0 ! A.39 at 4.13e+05 assign (segid d and resid 52 and name HD# ) ( segid b and resid 43 and name HA ) 4.0 2.2 2.0 ! A.214 at -4.19e+05 assign (segid d and resid 53 and name HB ) ( segid b and resid 44 and name HG2# ) 3.0 1.2 0.8 ! A.231 at 2.64e+06
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