NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
609000 |
5t17   |
30157 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | simple |
!@ BEGIN_XPLR_NOE_FILE ! ! 1 ! 2 assign (resid 2 and name HB ) (resid 3 and name HN ) 3.0 1.2 0.5 ! A.397 at 1.07e+05 assign (resid 2 and name HG2# ) (resid 3 and name HN ) 2.5 0.7 0.9 ! A.674 at 8.80e+05 assign (resid 2 and name HA ) (resid 3 and name HN ) 2.5 0.7 0.4 ! A.396 at 1.83e+06 assign (resid 2 and name HB ) (resid 4 and name HN ) 3.0 1.2 0.5 ! A.545 at 1.15e+05 assign (resid 2 and name HA ) (resid 67 and name HN ) 4.0 2.2 1.0 ! A.476 at 9.27e+04 ! 3 assign (resid 3 and name HB ) (resid 3 and name HN ) 3.0 1.2 0.5 ! A.1 at 1.68e+05 assign (resid 3 and name HG1# ) (resid 3 and name HN ) 3.0 1.2 1.0 ! A.675 at 3.81e+05 assign (resid 3 and name HG2# ) (resid 3 and name HN ) 2.5 0.7 0.9 ! A.402 at 1.04e+06 assign (resid 3 and name HG1# ) (resid 4 and name HN ) 3.0 1.2 1.0 ! A.406 at 2.96e+05 assign (resid 3 and name HB ) (resid 4 and name HN ) 2.5 0.7 0.4 ! A.404 at 8.28e+05 assign (resid 3 and name HA ) (resid 4 and name HN ) 2.5 0.7 0.4 ! A.542 at 1.86e+06 assign (resid 3 and name HN ) (resid 5 and name HG# ) 4.0 2.2 1.5 ! A.541 at 4.58e+04 assign (resid 3 and name HN ) (resid 66 and name HG# ) 3.0 1.2 1.0 ! A.398 at 1.05e+05 assign (resid 3 and name HN ) (resid 66 and name HB# ) 3.0 1.2 1.0 ! A.399 at 1.13e+05 assign (resid 3 and name HA ) (resid 67 and name HN ) 4.0 2.2 2.0 ! A.1074 at 3.27e+04 assign (resid 3 and name HN ) (resid 67 and name HA ) 4.0 2.2 1.0 ! A.673 at 5.14e+04 assign (resid 3 and name HG1# ) (resid 67 and name HN ) 4.0 2.2 1.5 ! A.278 at 8.94e+04 assign (resid 3 and name HN ) (resid 67 and name HN ) 2.5 0.7 0.4 ! A.669 at 6.97e+05 assign (resid 3 and name HN ) (resid 68 and name HA ) 3.0 1.2 0.5 ! A.403 at 2.22e+05 ! 4 assign (resid 4 and name HB1 ) (resid 4 and name HN ) 3.0 1.2 0.5 ! A.676 at 2.86e+05 assign (resid 4 and name HB2 ) (resid 4 and name HN ) 3.0 1.2 0.5 ! A.15 at 3.44e+05 assign (resid 4 and name HG# ) (resid 4 and name HN ) 3.0 1.2 1.0 ! A.16 at 4.76e+05 assign (resid 4 and name HN ) (resid 5 and name HA ) 3.0 1.2 0.5 ! A.543 at 1.35e+05 assign (resid 4 and name HG# ) (resid 5 and name HN ) 3.0 1.2 1.0 ! A.427 at 2.26e+05 assign (resid 4 and name HN ) (resid 5 and name HB2 ) 3.0 1.2 0.5 ! A.546 at 2.96e+05 assign (resid 4 and name HB2 ) (resid 5 and name HN ) 3.0 1.2 0.5 ! A.426 at 4.74e+05 assign (resid 4 and name HA ) (resid 5 and name HN ) 2.5 0.7 0.4 ! A.521 at 2.49e+06 assign (resid 4 and name HB2 ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.470 at 7.31e+04 assign (resid 4 and name HA ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.682 at 7.81e+04 assign (resid 4 and name HN ) (resid 66 and name HA ) 4.0 2.2 1.0 ! A.647 at 7.15e+04 assign (resid 4 and name HA ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.639 at 7.45e+04 assign (resid 4 and name HB2 ) (resid 67 and name HN ) 4.0 2.2 1.0 ! A.279 at 6.92e+04 assign (resid 4 and name HN ) (resid 67 and name HN ) 3.0 1.2 0.5 ! A.1075 at 1.51e+05 assign (resid 4 and name HN ) (resid 76 and name HD* ) 3.0 1.2 0.5 ! A.1019 at 3.61e+05 ! 5 assign (resid 5 and name HG# ) (resid 5 and name HE11 ) 3.0 1.2 0.8 ! A.992 at 1.42e+05 assign (resid 5 and name HG# ) (resid 5 and name HN ) 3.0 1.2 1.0 ! A.17 at 3.42e+05 assign (resid 5 and name HB2 ) (resid 5 and name HN ) 2.5 0.7 0.4 ! A.19 at 7.65e+05 assign (resid 5 and name HB1 ) (resid 6 and name HN ) 3.0 1.2 0.5 ! A.408 at 2.19e+05 assign (resid 5 and name HB2 ) (resid 6 and name HN ) 3.0 1.2 0.5 ! A.424 at 2.91e+05 assign (resid 5 and name HG# ) (resid 6 and name HN ) 2.5 0.7 0.9 ! A.407 at 7.32e+05 assign (resid 5 and name HN ) (resid 64 and name HA ) 4.0 2.2 1.0 ! A.522 at 8.78e+04 assign (resid 5 and name HB2 ) (resid 65 and name HN ) 3.0 1.2 0.5 ! A.469 at 1.30e+05 assign (resid 5 and name HA ) (resid 65 and name HN ) 3.0 1.2 0.5 ! A.264 at 1.40e+05 assign (resid 5 and name HN ) (resid 65 and name HN ) 2.5 0.7 0.4 ! A.687 at 5.99e+05 assign (resid 5 and name HN ) (resid 65 and name HG* ) 2.5 0.7 0.4 ! A.319 at 8.08e+05 assign (resid 5 and name HN ) (resid 66 and name HA ) 3.0 1.2 0.5 ! A.520 at 2.22e+05 assign (resid 5 and name HE21 ) (resid 80 and name HD1# ) 4.0 2.2 1.5 ! A.999 at 4.62e+04 assign (resid 5 and name HE22 ) (resid 80 and name HD1# ) 4.0 2.2 1.5 ! A.994 at 5.74e+04 assign (resid 5 and name HE21 ) (resid 80 and name HG2# ) 4.0 2.2 1.5 ! A.993 at 9.88e+04 assign (resid 5 and name HE22 ) (resid 80 and name HG2# ) 3.0 1.2 0.8 ! A.1050 at 1.14e+05 ! 6 assign (resid 6 and name HG2# ) (resid 6 and name HN ) 3.0 1.2 1.0 ! A.20 at 2.78e+05 assign (resid 6 and name HB ) (resid 6 and name HN ) 2.5 0.7 0.4 ! A.21 at 1.02e+06 assign (resid 6 and name HN ) (resid 7 and name HN ) 4.0 2.2 1.0 ! A.551 at 4.55e+04 assign (resid 6 and name HN ) (resid 7 and name HG* ) 4.0 2.2 1.0 ! A.425 at 8.47e+04 assign (resid 6 and name HB ) (resid 7 and name HN ) 3.0 1.2 0.5 ! A.413 at 2.25e+05 assign (resid 6 and name HA ) (resid 7 and name HN ) 2.5 0.7 0.4 ! A.416 at 2.13e+06 assign (resid 6 and name HN ) (resid 7 and name HA ) 2.5 0.7 0.4 ! A.423 at 2.42e+06 assign (resid 6 and name HG2# ) (resid 62 and name HN ) 4.0 2.2 2.5 ! A.574 at 3.36e+04 assign (resid 6 and name HG2# ) (resid 62 and name HE22 ) 4.0 2.2 1.5 ! A.986 at 6.34e+04 assign (resid 6 and name HG2# ) (resid 62 and name HE21 ) 4.0 2.2 1.5 ! A.1054 at 6.74e+04 assign (resid 6 and name HA ) (resid 64 and name HN ) 3.0 1.2 0.5 ! A.559 at 2.04e+05 assign (resid 6 and name HN ) (resid 65 and name HB ) 4.0 2.2 1.0 ! A.1021 at 5.61e+04 assign (resid 6 and name HA ) (resid 65 and name HN ) 3.0 1.2 0.5 ! A.265 at 3.63e+05 ! 7 assign (resid 7 and name HB ) (resid 7 and name HN ) 3.0 1.2 0.5 ! A.24 at 4.24e+05 assign (resid 7 and name HG* ) (resid 7 and name HN ) 2.5 0.7 0.4 ! A.23 at 8.29e+05 assign (resid 7 and name HN ) (resid 8 and name HN ) 3.0 1.2 0.5 ! A.548 at 1.22e+05 assign (resid 7 and name HG* ) (resid 8 and name HN ) 2.5 0.7 0.4 ! A.418 at 7.60e+05 assign (resid 7 and name HA ) (resid 8 and name HN ) 2.5 0.7 0.4 ! A.26 at 3.12e+06 assign (resid 7 and name HN ) (resid 63 and name HA ) 4.0 2.2 1.0 ! A.970 at 5.92e+04 assign (resid 7 and name HN ) (resid 63 and name HG11 ) 4.0 2.2 1.0 ! A.968 at 6.38e+04 assign (resid 7 and name HN ) (resid 63 and name HB ) 4.0 2.2 1.0 ! A.969 at 6.57e+04 assign (resid 7 and name HN ) (resid 63 and name HD1# ) 4.0 2.2 1.5 ! A.967 at 9.59e+04 assign (resid 7 and name HN ) (resid 63 and name HG12 ) 2.5 0.7 0.4 ! A.414 at 5.56e+05 assign (resid 7 and name HN ) (resid 64 and name HA ) 3.0 1.2 0.5 ! A.415 at 3.18e+05 assign (resid 7 and name HN ) (resid 65 and name HN ) 2.5 0.7 0.4 ! A.547 at 5.33e+05 assign (resid 7 and name HG* ) (resid 83 and name HN ) 3.0 1.2 0.5 ! A.377 at 1.91e+05 assign (resid 7 and name HG* ) (resid 84 and name HN ) 3.0 1.2 0.5 ! A.387 at 1.59e+05 assign (resid 7 and name HG* ) (resid 85 and name HN ) 4.0 2.2 1.0 ! A.392 at 8.36e+04 ! 8 assign (resid 8 and name HG2 ) (resid 8 and name HN ) 3.0 1.2 0.5 ! A.417 at 2.24e+05 assign (resid 8 and name HB# ) (resid 8 and name HN ) 2.5 0.7 0.9 ! A.25 at 2.41e+06 assign (resid 8 and name HB# ) (resid 9 and name HN ) 3.0 1.2 1.0 ! A.411 at 3.06e+05 assign (resid 8 and name HA ) (resid 9 and name HN ) 2.5 0.7 0.4 ! A.410 at 1.89e+06 assign (resid 8 and name HN ) (resid 62 and name HA ) 4.0 2.2 1.0 ! A.555 at 7.99e+04 ! 9 assign (resid 9 and name HD1# ) (resid 9 and name HN ) 3.0 1.2 1.0 ! A.412 at 1.60e+05 assign (resid 9 and name HG2# ) (resid 9 and name HN ) 3.0 1.2 1.0 ! A.27 at 2.58e+05 assign (resid 9 and name HG1# ) (resid 9 and name HN ) 2.5 0.7 0.9 ! A.28 at 8.78e+05 assign (resid 9 and name HB ) (resid 9 and name HN ) 2.5 0.7 0.4 ! A.29 at 1.00e+06 assign (resid 9 and name HD1# ) (resid 10 and name HN ) 4.0 2.2 1.5 ! A.422 at 7.80e+04 assign (resid 9 and name HB ) (resid 10 and name HN ) 3.0 1.2 0.5 ! A.421 at 1.21e+05 assign (resid 9 and name HA ) (resid 10 and name HN ) 3.0 1.2 0.5 ! A.544 at 1.47e+05 assign (resid 9 and name HD1# ) (resid 11 and name HN ) 4.0 2.2 2.5 ! A.540 at 3.96e+04 assign (resid 9 and name HG2# ) (resid 12 and name HN ) 4.0 2.2 2.5 ! A.923 at 2.88e+04 assign (resid 9 and name HG1# ) (resid 12 and name HN ) 4.0 2.2 1.5 ! A.924 at 4.40e+04 assign (resid 9 and name HG1# ) (resid 59 and name HN ) 4.0 2.2 2.5 ! A.935 at 3.26e+04 assign (resid 9 and name HG2# ) (resid 59 and name HN ) 4.0 2.2 1.5 ! A.934 at 4.90e+04 assign (resid 9 and name HN ) (resid 60 and name HA1 ) 4.0 2.2 2.0 ! A.957 at 3.04e+04 assign (resid 9 and name HG1# ) (resid 60 and name HN ) 4.0 2.2 2.5 ! A.928 at 3.28e+04 assign (resid 9 and name HG2# ) (resid 60 and name HN ) 4.0 2.2 1.5 ! A.233 at 9.69e+04 assign (resid 9 and name HB ) (resid 60 and name HN ) 3.0 1.2 0.5 ! A.228 at 1.31e+05 assign (resid 9 and name HN ) (resid 61 and name HG# ) 4.0 2.2 1.5 ! A.956 at 4.35e+04 assign (resid 9 and name HG2# ) (resid 61 and name HN ) 4.0 2.2 1.5 ! A.242 at 5.41e+04 assign (resid 9 and name HG1# ) (resid 61 and name HN ) 4.0 2.2 1.5 ! A.617 at 6.32e+04 assign (resid 9 and name HN ) (resid 61 and name HB2 ) 4.0 2.2 1.0 ! A.1023 at 6.33e+04 assign (resid 9 and name HN ) (resid 62 and name HA ) 3.0 1.2 0.5 ! A.419 at 3.44e+05 assign (resid 9 and name HD1# ) (resid 63 and name HN ) 4.0 2.2 1.5 ! A.253 at 6.70e+04 assign (resid 9 and name HG1# ) (resid 63 and name HN ) 3.0 1.2 1.0 ! A.680 at 2.76e+05 ! 10 assign (resid 10 and name HG2# ) (resid 10 and name HN ) 3.0 1.2 1.0 ! A.30 at 4.75e+05 assign (resid 10 and name HB ) (resid 10 and name HN ) 2.5 0.7 0.4 ! A.31 at 1.57e+06 assign (resid 10 and name HA ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.226 at 8.36e+04 ! 11 assign (resid 11 and name HB# ) (resid 11 and name HN ) 4.0 2.2 1.5 ! A.1024 at 5.46e+04 assign (resid 11 and name HB# ) (resid 11 and name HD11 ) 3.0 1.2 0.8 ! A.995 at 2.42e+05 assign (resid 11 and name HB# ) (resid 12 and name HN ) 3.0 1.2 1.0 ! A.431 at 1.02e+05 assign (resid 11 and name HA ) (resid 12 and name HN ) 2.5 0.7 0.4 ! A.433 at 6.94e+05 ! 12 assign (resid 12 and name HG# ) (resid 12 and name HN ) 3.0 1.2 1.0 ! A.432 at 1.84e+05 assign (resid 12 and name HB# ) (resid 12 and name HN ) 3.0 1.2 1.0 ! A.35 at 3.19e+05 assign (resid 12 and name HG# ) (resid 13 and name HN ) 4.0 2.2 1.5 ! A.729 at 8.66e+04 assign (resid 12 and name HB# ) (resid 13 and name HN ) 3.0 1.2 1.0 ! A.437 at 1.24e+05 assign (resid 12 and name HG2 ) (resid 14 and name HN ) 4.0 2.2 2.0 ! A.915 at 3.73e+04 assign (resid 12 and name HG1 ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.441 at 4.55e+04 assign (resid 12 and name HN ) (resid 14 and name HN ) 3.0 1.2 0.5 ! A.726 at 1.34e+05 ! 13 assign (resid 13 and name HD* ) (resid 13 and name HN ) 3.0 1.2 0.5 ! A.38 at 1.25e+05 assign (resid 13 and name HB# ) (resid 13 and name HN ) 2.5 0.7 0.9 ! A.37 at 6.90e+05 assign (resid 13 and name HN ) (resid 14 and name HA1 ) 4.0 2.2 2.0 ! A.961 at 3.18e+04 assign (resid 13 and name HD* ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.440 at 6.93e+04 assign (resid 13 and name HB# ) (resid 14 and name HN ) 3.0 1.2 1.0 ! A.439 at 1.62e+05 assign (resid 13 and name HA ) (resid 14 and name HN ) 3.0 1.2 0.5 ! A.438 at 4.18e+05 ! 14 assign (resid 14 and name HN ) (resid 15 and name HN ) 3.0 1.2 0.5 ! A.727 at 1.45e+05 assign (resid 14 and name HA# ) (resid 15 and name HN ) 2.5 0.7 0.9 ! A.1009 at 5.87e+05 ! 15 assign (resid 15 and name HB2 ) (resid 15 and name HN ) 2.5 0.7 0.4 ! A.447 at 5.53e+05 assign (resid 15 and name HN ) (resid 82 and name HD* ) 3.0 1.2 0.5 ! A.933 at 2.22e+05 ! 16 assign (resid 16 and name HB# ) (resid 17 and name HN ) 4.0 2.2 2.5 ! A.917 at 3.25e+04 assign (resid 16 and name HA ) (resid 17 and name HN ) 3.0 1.2 0.5 ! A.916 at 3.10e+05 ! 17 assign (resid 17 and name HB# ) (resid 17 and name HN ) 3.0 1.2 1.0 ! A.41 at 2.17e+05 ! 18 ! 19 assign (resid 19 and name HB2 ) (resid 21 and name HN ) 3.0 1.2 0.5 ! A.200 at 1.75e+05 ! 20 assign (resid 20 and name HB# ) (resid 20 and name HN ) 3.0 1.2 1.0 ! A.909 at 1.74e+05 assign (resid 20 and name HA ) (resid 21 and name HN ) 3.0 1.2 0.5 ! A.199 at 3.02e+05 assign (resid 20 and name HB# ) (resid 21 and name HN ) 3.0 1.2 1.0 ! A.201 at 4.43e+05 ! 21 assign (resid 21 and name HG1 ) (resid 21 and name HN ) 3.0 1.2 0.5 ! A.46 at 2.27e+05 assign (resid 21 and name HG2 ) (resid 21 and name HN ) 3.0 1.2 0.5 ! A.45 at 3.05e+05 assign (resid 21 and name HB# ) (resid 21 and name HN ) 2.5 0.7 0.9 ! A.44 at 9.03e+05 assign (resid 21 and name HN ) (resid 52 and name HD2# ) 4.0 2.2 1.5 ! A.202 at 5.63e+04 ! 22 assign (resid 22 and name HG2 ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.1027 at 1.01e+05 assign (resid 22 and name HA ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.537 at 4.91e+05 ! 23 assign (resid 23 and name HD* ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.52 at 3.06e+05 assign (resid 23 and name HB2 ) (resid 23 and name HN ) 2.5 0.7 0.4 ! A.1026 at 9.63e+05 assign (resid 23 and name HB1 ) (resid 23 and name HN ) 2.5 0.7 0.4 ! A.51 at 9.99e+05 assign (resid 23 and name HN ) (resid 24 and name HB# ) 4.0 2.2 1.5 ! A.538 at 5.77e+04 assign (resid 23 and name HA ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.56 at 2.06e+05 assign (resid 23 and name HD* ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.610 at 2.16e+05 assign (resid 23 and name HB2 ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.608 at 2.66e+05 assign (resid 23 and name HB1 ) (resid 24 and name HN ) 2.5 0.7 0.4 ! A.607 at 5.37e+05 assign (resid 23 and name HN ) (resid 24 and name HN ) 2.5 0.7 0.4 ! A.751 at 9.96e+05 assign (resid 23 and name HA ) (resid 26 and name HN ) 2.5 0.7 0.4 ! A.442 at 6.52e+05 assign (resid 23 and name HD* ) (resid 66 and name HN ) 3.0 1.2 0.5 ! A.272 at 1.66e+05 assign (resid 23 and name HN ) (resid 75 and name HB# ) 3.0 1.2 1.0 ! A.53 at 1.55e+05 assign (resid 23 and name HD* ) (resid 76 and name HN ) 4.0 2.2 1.0 ! A.955 at 4.40e+04 assign (resid 23 and name HG ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.1082 at 6.71e+04 ! 24 assign (resid 24 and name HD# ) (resid 24 and name HN ) 3.0 1.2 1.0 ! A.754 at 2.39e+05 assign (resid 24 and name HB# ) (resid 24 and name HN ) 2.5 0.7 0.9 ! A.54 at 1.39e+06 assign (resid 24 and name HN ) (resid 25 and name HB# ) 4.0 2.2 1.5 ! A.611 at 7.84e+04 assign (resid 24 and name HD# ) (resid 25 and name HN ) 4.0 2.2 1.5 ! A.758 at 8.96e+04 assign (resid 24 and name HA ) (resid 25 and name HN ) 3.0 1.2 0.5 ! A.756 at 2.99e+05 assign (resid 24 and name HB# ) (resid 25 and name HN ) 3.0 1.2 1.0 ! A.757 at 4.44e+05 assign (resid 24 and name HB# ) (resid 26 and name HN ) 4.0 2.2 1.5 ! A.1010 at 4.27e+04 assign (resid 24 and name HA ) (resid 26 and name HN ) 3.0 1.2 0.5 ! A.446 at 1.86e+05 assign (resid 24 and name HA ) (resid 27 and name HN ) 3.0 1.2 0.5 ! A.715 at 2.02e+05 ! 25 assign (resid 25 and name HG# ) (resid 25 and name HN ) 3.0 1.2 1.0 ! A.58 at 2.27e+05 assign (resid 25 and name HB# ) (resid 25 and name HN ) 2.5 0.7 0.9 ! A.59 at 6.16e+05 assign (resid 25 and name HB# ) (resid 26 and name HN ) 2.5 0.7 0.9 ! A.443 at 5.34e+05 assign (resid 25 and name HA ) (resid 27 and name HN ) 3.0 1.2 0.5 ! A.717 at 1.68e+05 assign (resid 25 and name HA ) (resid 28 and name HN ) 3.0 1.2 0.5 ! A.454 at 1.80e+05 assign (resid 25 and name HN ) (resid 52 and name HD2# ) 4.0 2.2 1.5 ! A.1030 at 4.55e+04 ! 26 assign (resid 26 and name HD* ) (resid 26 and name HN ) 3.0 1.2 0.5 ! A.64 at 1.95e+05 assign (resid 26 and name HB# ) (resid 26 and name HN ) 2.5 0.7 0.9 ! A.61 at 2.29e+06 assign (resid 26 and name HN ) (resid 27 and name HG# ) 4.0 2.2 1.5 ! A.1031 at 5.27e+04 assign (resid 26 and name HB2 ) (resid 27 and name HN ) 4.0 2.2 1.0 ! A.450 at 7.75e+04 assign (resid 26 and name HD* ) (resid 27 and name HN ) 3.0 1.2 0.5 ! A.449 at 1.70e+05 assign (resid 26 and name HA ) (resid 27 and name HN ) 3.0 1.2 0.5 ! A.716 at 1.91e+05 assign (resid 26 and name HB1 ) (resid 27 and name HN ) 2.5 0.7 0.4 ! A.448 at 9.10e+05 assign (resid 26 and name HB# ) (resid 28 and name HN ) 4.0 2.2 1.5 ! A.761 at 8.89e+04 assign (resid 26 and name HA ) (resid 28 and name HN ) 3.0 1.2 0.5 ! A.452 at 1.10e+05 assign (resid 26 and name HN ) (resid 28 and name HN ) 2.5 0.7 0.4 ! A.760 at 8.03e+05 assign (resid 26 and name HD1* ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.314 at 6.88e+04 ! 27 assign (resid 27 and name HG# ) (resid 27 and name HN ) 2.5 0.7 0.9 ! A.65 at 6.43e+05 assign (resid 27 and name HB# ) (resid 27 and name HN ) 2.5 0.7 0.9 ! A.66 at 9.51e+05 assign (resid 27 and name HG# ) (resid 28 and name HN ) 4.0 2.2 1.5 ! A.1032 at 4.05e+04 assign (resid 27 and name HA ) (resid 28 and name HN ) 3.0 1.2 0.5 ! A.451 at 2.02e+05 assign (resid 27 and name HN ) (resid 28 and name HN ) 2.5 0.7 0.4 ! A.718 at 5.59e+05 assign (resid 27 and name HA ) (resid 29 and name HN ) 4.0 2.2 1.0 ! A.77 at 9.62e+04 assign (resid 27 and name HN ) (resid 29 and name HN ) 3.0 1.2 0.5 ! A.719 at 1.48e+05 assign (resid 27 and name HA ) (resid 30 and name HN ) 4.0 2.2 1.0 ! A.82 at 8.95e+04 assign (resid 27 and name HA ) (resid 34 and name HN ) 4.0 2.2 2.0 ! A.565 at 3.83e+04 ! 28 assign (resid 28 and name HG# ) (resid 28 and name HE11 ) 4.0 2.2 1.5 ! A.996 at 9.54e+04 assign (resid 28 and name HG# ) (resid 28 and name HN ) 2.5 0.7 0.9 ! A.69 at 6.46e+05 assign (resid 28 and name HB# ) (resid 28 and name HN ) 2.5 0.7 0.9 ! A.70 at 1.13e+06 assign (resid 28 and name HG# ) (resid 29 and name HN ) 4.0 2.2 1.5 ! A.75 at 6.38e+04 assign (resid 28 and name HA ) (resid 29 and name HN ) 3.0 1.2 0.5 ! A.73 at 2.25e+05 assign (resid 28 and name HB# ) (resid 29 and name HN ) 3.0 1.2 1.0 ! A.74 at 2.47e+05 assign (resid 28 and name HA ) (resid 30 and name HN ) 4.0 2.2 1.0 ! A.763 at 6.55e+04 ! 29 assign (resid 29 and name HN ) (resid 30 and name HB# ) 4.0 2.2 2.5 ! A.76 at 3.35e+04 assign (resid 29 and name HA1 ) (resid 30 and name HN ) 3.0 1.2 0.5 ! A.80 at 1.15e+05 assign (resid 29 and name HA2 ) (resid 30 and name HN ) 3.0 1.2 0.5 ! A.81 at 1.37e+05 ! 30 assign (resid 30 and name HD# ) (resid 30 and name HN ) 3.0 1.2 1.0 ! A.764 at 2.18e+05 assign (resid 30 and name HB# ) (resid 30 and name HN ) 3.0 1.2 1.0 ! A.79 at 4.92e+05 assign (resid 30 and name HN ) (resid 31 and name HN ) 4.0 2.2 1.0 ! A.768 at 5.76e+04 assign (resid 30 and name HB# ) (resid 31 and name HN ) 3.0 1.2 1.0 ! A.455 at 4.18e+05 assign (resid 30 and name HA ) (resid 31 and name HN ) 2.5 0.7 0.4 ! A.83 at 1.43e+06 assign (resid 30 and name HB# ) (resid 32 and name HN ) 3.0 1.2 1.0 ! A.461 at 1.58e+05 assign (resid 30 and name HB# ) (resid 74 and name HN ) 4.0 2.2 1.5 ! A.663 at 4.68e+04 assign (resid 30 and name HB# ) (resid 75 and name HN ) 4.0 2.2 1.5 ! A.742 at 7.92e+04 assign (resid 30 and name HD# ) (resid 75 and name HN ) 4.0 2.2 1.5 ! A.748 at 8.85e+04 assign (resid 30 and name HE# ) (resid 75 and name HN ) 3.0 1.2 1.0 ! A.747 at 1.32e+05 ! 31 assign (resid 31 and name HB1 ) (resid 31 and name HN ) 2.5 0.7 0.4 ! A.85 at 6.55e+05 assign (resid 31 and name HB2 ) (resid 31 and name HN ) 2.5 0.7 0.4 ! A.86 at 9.28e+05 assign (resid 31 and name HN ) (resid 32 and name HA ) 4.0 2.2 1.0 ! A.632 at 6.04e+04 assign (resid 31 and name HN ) (resid 32 and name HB# ) 4.0 2.2 1.5 ! A.457 at 6.77e+04 assign (resid 31 and name HB1 ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.462 at 8.00e+04 assign (resid 31 and name HN ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.767 at 8.03e+04 assign (resid 31 and name HB2 ) (resid 32 and name HN ) 3.0 1.2 0.5 ! A.460 at 1.47e+05 assign (resid 31 and name HA ) (resid 32 and name HN ) 2.5 0.7 0.4 ! A.459 at 1.98e+06 assign (resid 31 and name HN ) (resid 70 and name HB2 ) 4.0 2.2 1.0 ! A.456 at 4.67e+04 assign (resid 31 and name HN ) (resid 71 and name HA ) 4.0 2.2 1.0 ! A.633 at 5.50e+04 assign (resid 31 and name HN ) (resid 71 and name HN ) 4.0 2.2 1.0 ! A.998 at 8.12e+04 assign (resid 31 and name HA ) (resid 71 and name HN ) 3.0 1.2 0.5 ! A.307 at 1.08e+05 assign (resid 31 and name HB1 ) (resid 71 and name HN ) 3.0 1.2 0.5 ! A.303 at 1.76e+05 assign (resid 31 and name HN ) (resid 71 and name HE22 ) 3.0 1.2 0.5 ! A.765 at 2.00e+05 assign (resid 31 and name HN ) (resid 71 and name HB# ) 3.0 1.2 1.0 ! A.87 at 4.97e+05 assign (resid 31 and name HN ) (resid 75 and name HB# ) 4.0 2.2 2.5 ! A.458 at 3.80e+04 ! 32 assign (resid 32 and name HB# ) (resid 32 and name HN ) 2.5 0.7 0.9 ! A.89 at 6.28e+05 assign (resid 32 and name HN ) (resid 33 and name HB2 ) 4.0 2.2 1.0 ! A.771 at 4.76e+04 assign (resid 32 and name HN ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.1037 at 6.50e+04 assign (resid 32 and name HB# ) (resid 33 and name HN ) 2.5 0.7 0.9 ! A.98 at 8.12e+05 assign (resid 32 and name HA ) (resid 33 and name HN ) 2.5 0.7 0.4 ! A.92 at 1.53e+06 assign (resid 32 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.564 at 6.10e+04 assign (resid 32 and name HN ) (resid 34 and name HN ) 3.0 1.2 0.5 ! A.566 at 1.33e+05 assign (resid 32 and name HA ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.285 at 8.84e+04 assign (resid 32 and name HB# ) (resid 69 and name HN ) 3.0 1.2 1.0 ! A.297 at 1.06e+05 assign (resid 32 and name HA ) (resid 69 and name HN ) 3.0 1.2 0.5 ! A.6 at 1.27e+05 assign (resid 32 and name HA ) (resid 71 and name HN ) 4.0 2.2 1.0 ! A.306 at 6.97e+04 assign (resid 32 and name HB# ) (resid 71 and name HN ) 3.0 1.2 1.0 ! A.301 at 2.97e+05 assign (resid 32 and name HA ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.491 at 4.48e+04 assign (resid 32 and name HB# ) (resid 72 and name HN ) 3.0 1.2 1.0 ! A.483 at 3.68e+05 assign (resid 32 and name HB# ) (resid 73 and name HN ) 3.0 1.2 1.0 ! A.315 at 1.92e+05 assign (resid 32 and name HN ) (resid 75 and name HB# ) 4.0 2.2 1.5 ! A.90 at 6.95e+04 assign (resid 32 and name HB# ) (resid 75 and name HN ) 3.0 1.2 1.0 ! A.741 at 1.71e+05 ! 33 assign (resid 33 and name HG# ) (resid 33 and name HN ) 3.0 1.2 1.0 ! A.94 at 1.58e+05 assign (resid 33 and name HB1 ) (resid 33 and name HN ) 2.5 0.7 0.4 ! A.95 at 5.22e+05 assign (resid 33 and name HB2 ) (resid 33 and name HN ) 2.5 0.7 0.4 ! A.96 at 7.87e+05 assign (resid 33 and name HG# ) (resid 34 and name HN ) 3.0 1.2 1.0 ! A.570 at 1.40e+05 assign (resid 33 and name HB# ) (resid 34 and name HN ) 3.0 1.2 1.0 ! A.467 at 2.23e+05 assign (resid 33 and name HA ) (resid 34 and name HN ) 2.5 0.7 0.4 ! A.102 at 8.99e+05 assign (resid 33 and name HN ) (resid 67 and name HA ) 4.0 2.2 1.0 ! A.532 at 8.18e+04 assign (resid 33 and name HN ) (resid 67 and name HB# ) 3.0 1.2 1.0 ! A.97 at 1.18e+05 assign (resid 33 and name HN ) (resid 68 and name HA ) 4.0 2.2 1.0 ! A.533 at 4.43e+04 assign (resid 33 and name HN ) (resid 68 and name HB ) 3.0 1.2 0.5 ! A.464 at 1.19e+05 assign (resid 33 and name HB2 ) (resid 68 and name HN ) 3.0 1.2 0.5 ! A.289 at 1.59e+05 assign (resid 33 and name HN ) (resid 69 and name HN ) 4.0 2.2 1.0 ! A.11 at 5.74e+04 assign (resid 33 and name HN ) (resid 69 and name HA2 ) 4.0 2.2 1.0 ! A.463 at 7.63e+04 assign (resid 33 and name HN ) (resid 69 and name HA1 ) 3.0 1.2 0.5 ! A.91 at 2.64e+05 assign (resid 33 and name HN ) (resid 72 and name HB2 ) 4.0 2.2 1.0 ! A.1035 at 5.00e+04 assign (resid 33 and name HN ) (resid 72 and name HA ) 4.0 2.2 1.0 ! A.465 at 5.98e+04 assign (resid 33 and name HN ) (resid 75 and name HB# ) 4.0 2.2 1.5 ! A.772 at 7.01e+04 ! 34 assign (resid 34 and name HG* ) (resid 34 and name HN ) 2.5 0.7 0.4 ! A.101 at 7.21e+05 assign (resid 34 and name HB ) (resid 34 and name HN ) 2.5 0.7 0.4 ! A.100 at 1.11e+06 assign (resid 34 and name HN ) (resid 35 and name HA ) 4.0 2.2 1.0 ! A.562 at 5.70e+04 assign (resid 34 and name HN ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.777 at 9.52e+04 assign (resid 34 and name HA ) (resid 35 and name HN ) 2.5 0.7 0.4 ! A.773 at 1.79e+06 assign (resid 34 and name HN ) (resid 46 and name HB# ) 3.0 1.2 1.0 ! A.571 at 1.42e+05 assign (resid 34 and name HG* ) (resid 46 and name HN ) 3.0 1.2 0.5 ! A.165 at 2.05e+05 assign (resid 34 and name HA ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.640 at 8.18e+04 assign (resid 34 and name HN ) (resid 67 and name HA ) 4.0 2.2 1.0 ! A.561 at 6.12e+04 assign (resid 34 and name HA ) (resid 67 and name HN ) 4.0 2.2 1.0 ! A.695 at 9.10e+04 assign (resid 34 and name HG* ) (resid 67 and name HN ) 3.0 1.2 0.5 ! A.277 at 4.47e+05 assign (resid 34 and name HA ) (resid 68 and name HN ) 3.0 1.2 0.5 ! A.286 at 2.27e+05 assign (resid 34 and name HG* ) (resid 68 and name HN ) 3.0 1.2 0.5 ! A.291 at 2.97e+05 ! 35 assign (resid 35 and name HB2 ) (resid 35 and name HN ) 3.0 1.2 0.5 ! A.106 at 2.46e+05 assign (resid 35 and name HB1 ) (resid 35 and name HN ) 2.5 0.7 0.4 ! A.104 at 5.84e+05 assign (resid 35 and name HD* ) (resid 35 and name HN ) 2.5 0.7 0.4 ! A.105 at 8.27e+05 assign (resid 35 and name HN ) (resid 36 and name HD1# ) 4.0 2.2 1.5 ! A.782 at 5.83e+04 assign (resid 35 and name HN ) (resid 36 and name HN ) 4.0 2.2 1.0 ! A.1042 at 8.60e+04 assign (resid 35 and name HB# ) (resid 36 and name HN ) 3.0 1.2 1.0 ! A.536 at 3.33e+05 assign (resid 35 and name HA ) (resid 36 and name HN ) 2.5 0.7 0.4 ! A.534 at 1.37e+06 assign (resid 35 and name HG ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.808 at 6.10e+04 assign (resid 35 and name HD* ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.150 at 7.12e+04 assign (resid 35 and name HD* ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.814 at 7.53e+04 assign (resid 35 and name HA ) (resid 46 and name HN ) 3.0 1.2 0.5 ! A.158 at 3.87e+05 assign (resid 35 and name HN ) (resid 66 and name HA ) 4.0 2.2 1.0 ! A.774 at 6.33e+04 assign (resid 35 and name HN ) (resid 66 and name HB# ) 3.0 1.2 1.0 ! A.107 at 1.26e+05 assign (resid 35 and name HN ) (resid 66 and name HG# ) 3.0 1.2 1.0 ! A.108 at 1.54e+05 assign (resid 35 and name HB1 ) (resid 66 and name HN ) 3.0 1.2 0.5 ! A.269 at 1.76e+05 assign (resid 35 and name HN ) (resid 66 and name HN ) 3.0 1.2 0.5 ! A.689 at 2.47e+05 assign (resid 35 and name HD* ) (resid 66 and name HN ) 2.5 0.7 0.4 ! A.273 at 1.03e+06 assign (resid 35 and name HN ) (resid 67 and name HB# ) 4.0 2.2 1.5 ! A.781 at 7.25e+04 assign (resid 35 and name HN ) (resid 67 and name HA ) 3.0 1.2 0.5 ! A.775 at 2.14e+05 ! 36 assign (resid 36 and name HD1# ) (resid 36 and name HN ) 3.0 1.2 1.0 ! A.111 at 2.17e+05 assign (resid 36 and name HD2# ) (resid 36 and name HN ) 3.0 1.2 1.0 ! A.110 at 2.33e+05 assign (resid 36 and name HB2 ) (resid 36 and name HN ) 3.0 1.2 0.5 ! A.112 at 3.28e+05 assign (resid 36 and name HB1 ) (resid 36 and name HN ) 2.5 0.7 0.4 ! A.113 at 5.76e+05 assign (resid 36 and name HD1# ) (resid 37 and name HN ) 3.0 1.2 1.0 ! A.119 at 1.98e+05 assign (resid 36 and name HD2# ) (resid 37 and name HN ) 3.0 1.2 1.0 ! A.529 at 3.27e+05 assign (resid 36 and name HA ) (resid 37 and name HN ) 2.5 0.7 0.4 ! A.523 at 1.96e+06 assign (resid 36 and name HD1# ) (resid 44 and name HN ) 4.0 2.2 2.5 ! A.810 at 3.75e+04 assign (resid 36 and name HB2 ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.962 at 4.63e+04 assign (resid 36 and name HN ) (resid 44 and name HB# ) 3.0 1.2 1.0 ! A.1041 at 1.07e+05 assign (resid 36 and name HB1 ) (resid 44 and name HN ) 3.0 1.2 0.5 ! A.965 at 1.82e+05 assign (resid 36 and name HN ) (resid 44 and name HN ) 2.5 0.7 0.4 ! A.784 at 5.22e+05 assign (resid 36 and name HN ) (resid 45 and name HA ) 3.0 1.2 0.5 ! A.535 at 1.29e+05 assign (resid 36 and name HB1 ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.162 at 6.01e+04 assign (resid 36 and name HD1# ) (resid 46 and name HN ) 3.0 1.2 1.0 ! A.164 at 1.03e+05 assign (resid 36 and name HN ) (resid 65 and name HA ) 4.0 2.2 1.0 ! A.783 at 6.12e+04 assign (resid 36 and name HB2 ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.270 at 9.35e+04 ! 37 assign (resid 37 and name HD# ) (resid 37 and name HN ) 4.0 2.2 1.5 ! A.526 at 5.29e+04 assign (resid 37 and name HB2 ) (resid 37 and name HN ) 3.0 1.2 0.5 ! A.117 at 4.22e+05 assign (resid 37 and name HG2 ) (resid 37 and name HN ) 3.0 1.2 0.5 ! A.115 at 4.75e+05 assign (resid 37 and name HG1 ) (resid 37 and name HN ) 2.5 0.7 0.4 ! A.116 at 5.72e+05 assign (resid 37 and name HD# ) (resid 38 and name HN ) 4.0 2.2 2.5 ! A.125 at 3.81e+04 assign (resid 37 and name HN ) (resid 38 and name HA ) 4.0 2.2 1.0 ! A.531 at 6.52e+04 assign (resid 37 and name HN ) (resid 38 and name HN ) 3.0 1.2 0.5 ! A.530 at 1.12e+05 assign (resid 37 and name HG2 ) (resid 38 and name HN ) 3.0 1.2 0.5 ! A.127 at 1.84e+05 assign (resid 37 and name HB2 ) (resid 38 and name HN ) 3.0 1.2 0.5 ! A.128 at 2.33e+05 assign (resid 37 and name HB1 ) (resid 38 and name HN ) 3.0 1.2 0.5 ! A.126 at 2.36e+05 assign (resid 37 and name HA ) (resid 38 and name HN ) 2.5 0.7 0.4 ! A.123 at 1.34e+06 assign (resid 37 and name HG1 ) (resid 41 and name HN ) 4.0 2.2 2.0 ! A.925 at 3.49e+04 assign (resid 37 and name HG2 ) (resid 41 and name HN ) 4.0 2.2 2.0 ! A.583 at 3.90e+04 assign (resid 37 and name HB# ) (resid 41 and name HN ) 4.0 2.2 1.5 ! A.584 at 5.14e+04 assign (resid 37 and name HA ) (resid 42 and name HN ) 4.0 2.2 2.0 ! A.1056 at 3.45e+04 assign (resid 37 and name HA ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.1058 at 5.94e+04 assign (resid 37 and name HB2 ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.556 at 7.26e+04 assign (resid 37 and name HN ) (resid 44 and name HB# ) 4.0 2.2 1.5 ! A.528 at 4.98e+04 assign (resid 37 and name HA ) (resid 44 and name HN ) 3.0 1.2 0.5 ! A.805 at 1.17e+05 assign (resid 37 and name HN ) (resid 63 and name HG12 ) 4.0 2.2 1.0 ! A.527 at 5.38e+04 assign (resid 37 and name HN ) (resid 63 and name HA ) 3.0 1.2 0.5 ! A.525 at 1.01e+05 assign (resid 37 and name HA ) (resid 64 and name HN ) 4.0 2.2 2.0 ! A.1073 at 3.48e+04 assign (resid 37 and name HN ) (resid 64 and name HA ) 4.0 2.2 1.0 ! A.524 at 4.69e+04 assign (resid 37 and name HN ) (resid 64 and name HB# ) 3.0 1.2 1.0 ! A.118 at 2.21e+05 assign (resid 37 and name HN ) (resid 64 and name HN ) 2.5 0.7 0.4 ! A.645 at 7.29e+05 ! 38 assign (resid 38 and name HB2 ) (resid 38 and name HD22 ) 3.0 1.2 0.3 ! A.1048 at 1.44e+05 assign (resid 38 and name HB1 ) (resid 38 and name HN ) 3.0 1.2 0.5 ! A.121 at 1.65e+05 assign (resid 38 and name HB1 ) (resid 38 and name HD21 ) 3.0 1.2 0.3 ! A.973 at 2.15e+05 assign (resid 38 and name HB2 ) (resid 38 and name HD21 ) 3.0 1.2 0.3 ! A.983 at 2.97e+05 assign (resid 38 and name HB2 ) (resid 38 and name HN ) 3.0 1.2 0.5 ! A.122 at 3.30e+05 assign (resid 38 and name HN ) (resid 39 and name HN ) 3.0 1.2 0.5 ! A.796 at 1.84e+05 assign (resid 38 and name HA ) (resid 39 and name HN ) 2.5 0.7 0.4 ! A.134 at 7.59e+05 assign (resid 38 and name HB1 ) (resid 39 and name HN ) 2.5 0.7 0.4 ! A.132 at 9.89e+05 assign (resid 38 and name HA ) (resid 40 and name HN ) 4.0 2.2 2.0 ! A.1055 at 3.25e+04 assign (resid 38 and name HN ) (resid 40 and name HB2 ) 4.0 2.2 2.0 ! A.789 at 3.95e+04 assign (resid 38 and name HD11 ) (resid 40 and name HG# ) 4.0 2.2 1.5 ! A.978 at 4.91e+04 assign (resid 38 and name HD22 ) (resid 40 and name HG# ) 4.0 2.2 1.5 ! A.1047 at 5.60e+04 assign (resid 38 and name HN ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.793 at 5.84e+04 assign (resid 38 and name HB1 ) (resid 40 and name HN ) 3.0 1.2 0.5 ! A.139 at 1.08e+05 assign (resid 38 and name HN ) (resid 42 and name HG2# ) 4.0 2.2 2.5 ! A.790 at 3.97e+04 !assign (resid 38 and name ? ) (resid 42 and name HG2# ) 4.0 2.2 1.5 ! A.975 at 4.27e+04 assign (resid 38 and name HD22 ) (resid 42 and name HG2# ) 4.0 2.2 1.5 ! A.1045 at 4.87e+04 assign (resid 38 and name HN ) (resid 42 and name HB ) 4.0 2.2 1.0 ! A.124 at 9.08e+04 assign (resid 38 and name HD21 ) (resid 42 and name HB ) 3.0 1.2 0.3 ! A.974 at 1.17e+05 assign (resid 38 and name HN ) (resid 42 and name HN ) 3.0 1.2 0.5 ! A.791 at 2.00e+05 assign (resid 38 and name HD22 ) (resid 42 and name HB ) 3.0 1.2 0.3 ! A.1049 at 2.14e+05 assign (resid 38 and name HN ) (resid 43 and name HA ) 3.0 1.2 0.5 ! A.788 at 1.51e+05 assign (resid 38 and name HD21 ) (resid 54 and name HG# ) 4.0 2.2 1.5 ! A.979 at 5.22e+04 assign (resid 38 and name HD21 ) (resid 61 and name HB1 ) 4.0 2.2 1.0 ! A.977 at 4.84e+04 assign (resid 38 and name HD21 ) (resid 61 and name HB2 ) 4.0 2.2 1.0 ! A.976 at 6.34e+04 assign (resid 38 and name HD22 ) (resid 61 and name HB1 ) 4.0 2.2 1.0 ! A.1046 at 8.13e+04 assign (resid 38 and name HN ) (resid 63 and name HD1# ) 4.0 2.2 2.5 ! A.1044 at 3.75e+04 ! 39 assign (resid 39 and name HB2 ) (resid 39 and name HN ) 3.0 1.2 0.5 ! A.131 at 4.90e+05 assign (resid 39 and name HB1 ) (resid 39 and name HN ) 2.5 0.7 0.4 ! A.130 at 6.85e+05 assign (resid 39 and name HN ) (resid 40 and name HG# ) 4.0 2.2 1.5 ! A.613 at 4.28e+04 assign (resid 39 and name HB2 ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.604 at 5.01e+04 assign (resid 39 and name HB1 ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.138 at 8.54e+04 assign (resid 39 and name HN ) (resid 40 and name HN ) 3.0 1.2 0.5 ! A.926 at 2.38e+05 assign (resid 39 and name HN ) (resid 61 and name HB2 ) 4.0 2.2 2.0 ! A.615 at 3.30e+04 assign (resid 39 and name HB2 ) (resid 62 and name HN ) 4.0 2.2 1.0 ! A.657 at 4.13e+04 assign (resid 39 and name HN ) (resid 62 and name HN ) 3.0 1.2 0.5 ! A.849 at 1.21e+05 assign (resid 39 and name HN ) (resid 63 and name HD1# ) 4.0 2.2 1.5 ! A.616 at 4.78e+04 assign (resid 39 and name HN ) (resid 63 and name HA ) 4.0 2.2 1.0 ! A.133 at 9.85e+04 assign (resid 39 and name HN ) (resid 64 and name HG# ) 4.0 2.2 1.5 ! A.614 at 4.06e+04 ! 40 assign (resid 40 and name HB# ) (resid 40 and name HN ) 3.0 1.2 1.0 ! A.582 at 1.48e+05 assign (resid 40 and name HG# ) (resid 40 and name HN ) 3.0 1.2 1.0 ! A.576 at 1.68e+05 assign (resid 40 and name HA ) (resid 41 and name HN ) 3.0 1.2 0.5 ! A.801 at 4.67e+05 assign (resid 40 and name HN ) (resid 41 and name HN ) 2.5 0.7 0.4 ! A.798 at 6.04e+05 assign (resid 40 and name HB1 ) (resid 42 and name HN ) 3.0 1.2 0.5 ! A.588 at 1.13e+05 assign (resid 40 and name HB2 ) (resid 42 and name HN ) 3.0 1.2 0.5 ! A.589 at 2.13e+05 assign (resid 40 and name HN ) (resid 42 and name HN ) 3.0 1.2 0.5 ! A.803 at 3.16e+05 assign (resid 40 and name HN ) (resid 61 and name HB2 ) 3.0 1.2 0.5 ! A.927 at 1.76e+05 ! 41 assign (resid 41 and name HN ) (resid 42 and name HA ) 4.0 2.2 1.0 ! A.143 at 5.04e+04 assign (resid 41 and name HN ) (resid 42 and name HB ) 4.0 2.2 1.0 ! A.142 at 7.18e+04 assign (resid 41 and name HA2 ) (resid 42 and name HN ) 3.0 1.2 0.5 ! A.802 at 2.04e+05 assign (resid 41 and name HA1 ) (resid 42 and name HN ) 3.0 1.2 0.5 ! A.587 at 2.47e+05 assign (resid 41 and name HN ) (resid 42 and name HN ) 2.5 0.7 0.4 ! A.578 at 9.47e+05 ! 42 assign (resid 42 and name HG2# ) (resid 42 and name HN ) 3.0 1.2 1.0 ! A.590 at 2.20e+05 assign (resid 42 and name HB ) (resid 42 and name HN ) 2.5 0.7 0.4 ! A.585 at 9.79e+05 assign (resid 42 and name HB ) (resid 43 and name HN ) 3.0 1.2 0.5 ! A.558 at 1.09e+05 assign (resid 42 and name HG2# ) (resid 43 and name HN ) 2.5 0.7 0.9 ! A.146 at 7.46e+05 assign (resid 42 and name HA ) (resid 43 and name HN ) 2.5 0.7 0.4 ! A.557 at 1.85e+06 ! 43 assign (resid 43 and name HG1 ) (resid 43 and name HN ) 3.0 1.2 0.5 ! A.145 at 2.34e+05 assign (resid 43 and name HG# ) (resid 44 and name HN ) 4.0 2.2 1.5 ! A.811 at 4.08e+04 assign (resid 43 and name HB# ) (resid 44 and name HN ) 3.0 1.2 1.0 ! A.964 at 2.56e+05 assign (resid 43 and name HA ) (resid 44 and name HN ) 2.5 0.7 0.4 ! A.1060 at 6.46e+05 ! 44 assign (resid 44 and name HB# ) (resid 44 and name HN ) 3.0 1.2 1.0 ! A.148 at 4.05e+05 assign (resid 44 and name HN ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.815 at 2.89e+05 assign (resid 44 and name HB# ) (resid 45 and name HN ) 3.0 1.2 1.0 ! A.628 at 3.08e+05 assign (resid 44 and name HA ) (resid 45 and name HN ) 2.5 0.7 0.4 ! A.151 at 9.04e+05 assign (resid 44 and name HB# ) (resid 46 and name HN ) 4.0 2.2 1.5 ! A.966 at 7.21e+04 assign (resid 44 and name HB# ) (resid 51 and name HN ) 3.0 1.2 1.0 ! A.184 at 3.59e+05 assign (resid 44 and name HN ) (resid 54 and name HB# ) 4.0 2.2 1.5 ! A.963 at 6.35e+04 ! 45 assign (resid 45 and name HB2 ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.153 at 2.22e+05 assign (resid 45 and name HG# ) (resid 45 and name HN ) 3.0 1.2 1.0 ! A.152 at 3.55e+05 assign (resid 45 and name HB1 ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.154 at 4.61e+05 assign (resid 45 and name HG# ) (resid 46 and name HN ) 3.0 1.2 1.0 ! A.159 at 1.64e+05 assign (resid 45 and name HB1 ) (resid 46 and name HN ) 3.0 1.2 0.5 ! A.161 at 1.98e+05 assign (resid 45 and name HB2 ) (resid 46 and name HN ) 3.0 1.2 0.5 ! A.160 at 2.71e+05 assign (resid 45 and name HA ) (resid 46 and name HN ) 2.5 0.7 0.4 ! A.157 at 1.55e+06 assign (resid 45 and name HG# ) (resid 48 and name HN ) 4.0 2.2 1.5 ! A.821 at 4.50e+04 assign (resid 45 and name HN ) (resid 48 and name HB1 ) 4.0 2.2 1.0 ! A.812 at 4.93e+04 assign (resid 45 and name HN ) (resid 48 and name HB2 ) 4.0 2.2 1.0 ! A.813 at 5.59e+04 assign (resid 45 and name HB2 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.172 at 7.49e+04 assign (resid 45 and name HB1 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.173 at 9.57e+04 assign (resid 45 and name HN ) (resid 51 and name HB# ) 4.0 2.2 1.5 ! A.629 at 5.03e+04 ! 46 assign (resid 46 and name HB# ) (resid 46 and name HN ) 2.5 0.7 0.9 ! A.156 at 1.28e+06 assign (resid 46 and name HB# ) (resid 48 and name HN ) 4.0 2.2 1.5 ! A.175 at 8.44e+04 assign (resid 46 and name HA ) (resid 48 and name HN ) 3.0 1.2 0.5 ! A.169 at 1.82e+05 assign (resid 46 and name HN ) (resid 48 and name HN ) 3.0 1.2 0.5 ! A.817 at 2.47e+05 assign (resid 46 and name HN ) (resid 51 and name HB# ) 4.0 2.2 1.5 ! A.163 at 9.71e+04 ! 47 assign (resid 47 and name HB1 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.170 at 6.29e+04 assign (resid 47 and name HB2 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.171 at 7.03e+04 assign (resid 47 and name HA ) (resid 48 and name HN ) 3.0 1.2 0.5 ! A.168 at 3.76e+05 ! 48 assign (resid 48 and name HB1 ) (resid 48 and name HN ) 3.0 1.2 0.5 ! A.820 at 2.64e+05 assign (resid 48 and name HB2 ) (resid 48 and name HN ) 3.0 1.2 0.5 ! A.819 at 4.83e+05 assign (resid 48 and name HB# ) (resid 49 and name HN ) 4.0 2.2 1.5 ! A.635 at 5.78e+04 assign (resid 48 and name HA ) (resid 49 and name HN ) 3.0 1.2 0.5 ! A.634 at 1.84e+05 assign (resid 48 and name HA ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.827 at 9.78e+04 assign (resid 48 and name HB# ) (resid 50 and name HN ) 3.0 1.2 1.0 ! A.702 at 2.69e+05 assign (resid 48 and name HA ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.624 at 1.10e+05 assign (resid 48 and name HB1 ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.621 at 1.12e+05 assign (resid 48 and name HB2 ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.919 at 1.57e+05 assign (resid 48 and name HN ) (resid 51 and name HB# ) 3.0 1.2 1.0 ! A.174 at 3.41e+05 assign (resid 48 and name HN ) (resid 52 and name HD1# ) 4.0 2.2 1.5 ! A.176 at 8.93e+04 ! 49 assign (resid 49 and name HB ) (resid 49 and name HN ) 3.0 1.2 0.5 ! A.637 at 1.18e+05 assign (resid 49 and name HG2# ) (resid 49 and name HN ) 3.0 1.2 1.0 ! A.638 at 1.52e+05 assign (resid 49 and name HN ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.825 at 7.99e+04 assign (resid 49 and name HA ) (resid 50 and name HN ) 3.0 1.2 0.5 ! A.826 at 2.16e+05 assign (resid 49 and name HB ) (resid 50 and name HN ) 3.0 1.2 0.5 ! A.601 at 2.80e+05 assign (resid 49 and name HB ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.922 at 4.35e+04 ! 50 assign (resid 50 and name HG2# ) (resid 50 and name HN ) 2.5 0.7 0.9 ! A.180 at 5.26e+05 assign (resid 50 and name HG1# ) (resid 50 and name HN ) 2.5 0.7 0.9 ! A.179 at 5.94e+05 assign (resid 50 and name HB ) (resid 50 and name HN ) 2.5 0.7 0.4 ! A.178 at 1.09e+06 assign (resid 50 and name HG1# ) (resid 51 and name HN ) 3.0 1.2 1.0 ! A.185 at 1.77e+05 assign (resid 50 and name HA ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.705 at 2.60e+05 assign (resid 50 and name HG2# ) (resid 51 and name HN ) 3.0 1.2 1.0 ! A.183 at 4.24e+05 assign (resid 50 and name HN ) (resid 51 and name HB# ) 2.5 0.7 0.9 ! A.600 at 5.68e+05 assign (resid 50 and name HB ) (resid 51 and name HN ) 2.5 0.7 0.4 ! A.186 at 5.85e+05 assign (resid 50 and name HN ) (resid 51 and name HN ) 2.5 0.7 0.4 ! A.704 at 9.44e+05 assign (resid 50 and name HA ) (resid 53 and name HN ) 3.0 1.2 0.5 ! A.195 at 2.04e+05 assign (resid 50 and name HA ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.722 at 4.85e+04 ! 51 assign (resid 51 and name HB# ) (resid 51 and name HN ) 2.5 0.7 0.9 ! A.182 at 1.87e+06 assign (resid 51 and name HN ) (resid 52 and name HB2 ) 4.0 2.2 1.0 ! A.1062 at 6.31e+04 assign (resid 51 and name HA ) (resid 52 and name HN ) 3.0 1.2 0.5 ! A.920 at 3.10e+05 assign (resid 51 and name HB# ) (resid 52 and name HN ) 2.5 0.7 0.9 ! A.189 at 5.74e+05 assign (resid 51 and name HN ) (resid 52 and name HN ) 2.5 0.7 0.4 ! A.703 at 6.75e+05 ! 52 assign (resid 52 and name HD* ) (resid 52 and name HN ) 3.0 1.2 0.5 ! A.190 at 2.53e+05 assign (resid 52 and name HB1 ) (resid 52 and name HN ) 2.5 0.7 0.4 ! A.188 at 7.34e+05 assign (resid 52 and name HA ) (resid 53 and name HN ) 3.0 1.2 0.5 ! A.196 at 2.00e+05 assign (resid 52 and name HN ) (resid 53 and name HN ) 2.5 0.7 0.4 ! A.707 at 5.54e+05 assign (resid 52 and name HA ) (resid 55 and name HN ) 3.0 1.2 0.5 ! A.832 at 2.06e+05 ! 53 assign (resid 53 and name HD* ) (resid 53 and name HN ) 3.0 1.2 0.5 ! A.194 at 3.96e+05 assign (resid 53 and name HB2 ) (resid 53 and name HN ) 2.5 0.7 0.4 ! A.193 at 6.33e+05 assign (resid 53 and name HB1 ) (resid 53 and name HN ) 2.5 0.7 0.4 ! A.192 at 1.08e+06 assign (resid 53 and name HD* ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.829 at 1.00e+05 assign (resid 53 and name HB2 ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.656 at 1.54e+05 assign (resid 53 and name HB1 ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.655 at 2.45e+05 assign (resid 53 and name HN ) (resid 54 and name HN ) 2.5 0.7 0.4 ! A.708 at 5.44e+05 assign (resid 53 and name HA ) (resid 56 and name HN ) 4.0 2.2 1.0 ! A.712 at 8.66e+04 assign (resid 53 and name HD* ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.936 at 4.95e+04 ! 54 assign (resid 54 and name HG1 ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.653 at 1.50e+05 assign (resid 54 and name HB# ) (resid 54 and name HN ) 3.0 1.2 1.0 ! A.1063 at 3.48e+05 assign (resid 54 and name HG# ) (resid 55 and name HN ) 4.0 2.2 1.5 ! A.980 at 4.58e+04 assign (resid 54 and name HB# ) (resid 55 and name HN ) 3.0 1.2 1.0 ! A.981 at 4.08e+05 ! 55 assign (resid 55 and name HD2# ) (resid 55 and name HN ) 3.0 1.2 1.0 ! A.714 at 1.54e+05 assign (resid 55 and name HD1# ) (resid 55 and name HN ) 3.0 1.2 1.0 ! A.833 at 1.80e+05 assign (resid 55 and name HG ) (resid 55 and name HN ) 2.5 0.7 0.4 ! A.205 at 5.19e+05 assign (resid 55 and name HB# ) (resid 55 and name HN ) 2.5 0.7 0.9 ! A.204 at 1.47e+06 assign (resid 55 and name HA ) (resid 56 and name HN ) 3.0 1.2 0.5 ! A.711 at 2.64e+05 assign (resid 55 and name HB# ) (resid 57 and name HN ) 4.0 2.2 1.5 ! A.211 at 4.48e+04 ! 56 assign (resid 56 and name HB2 ) (resid 56 and name HN ) 2.5 0.7 0.4 ! A.207 at 6.05e+05 assign (resid 56 and name HB# ) (resid 57 and name HN ) 3.0 1.2 1.0 ! A.210 at 4.13e+05 assign (resid 56 and name HN ) (resid 58 and name HN ) 3.0 1.2 0.5 ! A.838 at 1.37e+05 ! 57 assign (resid 57 and name HB# ) (resid 57 and name HN ) 2.5 0.7 0.9 ! A.209 at 6.41e+05 assign (resid 57 and name HN ) (resid 58 and name HA ) 4.0 2.2 1.0 ! A.835 at 4.96e+04 assign (resid 57 and name HN ) (resid 58 and name HB# ) 4.0 2.2 1.5 ! A.212 at 8.39e+04 assign (resid 57 and name HB# ) (resid 58 and name HN ) 3.0 1.2 1.0 ! A.216 at 1.43e+05 assign (resid 57 and name HA ) (resid 58 and name HN ) 3.0 1.2 0.5 ! A.217 at 1.53e+05 ! 58 assign (resid 58 and name HB# ) (resid 58 and name HN ) 2.5 0.7 0.9 ! A.215 at 5.45e+05 assign (resid 58 and name HN ) (resid 59 and name HB# ) 4.0 2.2 2.5 ! A.836 at 3.35e+04 assign (resid 58 and name HN ) (resid 59 and name HN ) 3.0 1.2 0.5 ! A.837 at 1.63e+05 assign (resid 58 and name HB# ) (resid 59 and name HN ) 3.0 1.2 1.0 ! A.221 at 3.56e+05 assign (resid 58 and name HA ) (resid 59 and name HN ) 3.0 1.2 0.5 ! A.222 at 4.51e+05 assign (resid 58 and name HA ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.842 at 4.81e+04 assign (resid 58 and name HB# ) (resid 60 and name HN ) 3.0 1.2 1.0 ! A.840 at 1.10e+05 assign (resid 58 and name HA ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.958 at 6.32e+04 assign (resid 58 and name HB# ) (resid 61 and name HN ) 4.0 2.2 1.5 ! A.241 at 8.55e+04 ! 59 assign (resid 59 and name HD# ) (resid 59 and name HN ) 4.0 2.2 1.5 ! A.1068 at 5.89e+04 assign (resid 59 and name HG# ) (resid 59 and name HN ) 3.0 1.2 1.0 ! A.1067 at 2.35e+05 assign (resid 59 and name HB# ) (resid 59 and name HN ) 2.5 0.7 0.9 ! A.220 at 9.27e+05 assign (resid 59 and name HG# ) (resid 60 and name HN ) 4.0 2.2 1.5 ! A.1069 at 6.37e+04 assign (resid 59 and name HN ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.845 at 8.66e+04 assign (resid 59 and name HB# ) (resid 60 and name HN ) 3.0 1.2 1.0 ! A.229 at 2.46e+05 assign (resid 59 and name HA ) (resid 60 and name HN ) 2.5 0.7 0.4 ! A.843 at 1.18e+06 assign (resid 59 and name HN ) (resid 61 and name HG# ) 4.0 2.2 1.5 ! A.605 at 6.32e+04 ! 60 assign (resid 60 and name HA2 ) (resid 61 and name HN ) 3.0 1.2 0.5 ! A.240 at 2.69e+05 assign (resid 60 and name HA1 ) (resid 61 and name HN ) 3.0 1.2 0.5 ! A.239 at 3.49e+05 assign (resid 60 and name HN ) (resid 61 and name HN ) 3.0 1.2 0.5 ! A.847 at 4.40e+05 ! 61 assign (resid 61 and name HD# ) (resid 61 and name HN ) 4.0 2.2 1.5 ! A.235 at 5.92e+04 assign (resid 61 and name HB1 ) (resid 61 and name HN ) 3.0 1.2 0.5 ! A.236 at 2.24e+05 assign (resid 61 and name HG# ) (resid 61 and name HN ) 3.0 1.2 1.0 ! A.238 at 3.92e+05 assign (resid 61 and name HB2 ) (resid 61 and name HN ) 2.5 0.7 0.4 ! A.237 at 5.49e+05 assign (resid 61 and name HG# ) (resid 62 and name HN ) 3.0 1.2 1.0 ! A.247 at 1.29e+05 assign (resid 61 and name HN ) (resid 62 and name HN ) 3.0 1.2 0.5 ! A.930 at 2.52e+05 assign (resid 61 and name HA ) (resid 62 and name HN ) 2.5 0.7 0.4 ! A.572 at 8.23e+05 ! 62 assign (resid 62 and name HG1 ) (resid 62 and name HN ) 3.0 1.2 0.5 ! A.244 at 2.05e+05 assign (resid 62 and name HG2 ) (resid 62 and name HN ) 2.5 0.7 0.4 ! A.245 at 6.81e+05 assign (resid 62 and name HB# ) (resid 62 and name HN ) 2.5 0.7 0.9 ! A.246 at 6.83e+05 assign (resid 62 and name HG2 ) (resid 63 and name HN ) 3.0 1.2 0.5 ! A.254 at 1.15e+05 assign (resid 62 and name HB# ) (resid 63 and name HN ) 2.5 0.7 0.9 ! A.679 at 1.03e+06 assign (resid 62 and name HA ) (resid 63 and name HN ) 2.5 0.7 0.4 ! A.677 at 1.99e+06 ! 63 assign (resid 63 and name HG2# ) (resid 63 and name HN ) 3.0 1.2 1.0 ! A.252 at 2.43e+05 assign (resid 63 and name HG12 ) (resid 63 and name HN ) 3.0 1.2 0.5 ! A.251 at 4.47e+05 assign (resid 63 and name HB ) (resid 63 and name HN ) 2.5 0.7 0.4 ! A.250 at 5.14e+05 assign (resid 63 and name HN ) (resid 64 and name HA ) 4.0 2.2 1.0 ! A.678 at 6.93e+04 assign (resid 63 and name HG11 ) (resid 64 and name HN ) 3.0 1.2 0.5 ! A.259 at 1.41e+05 assign (resid 63 and name HG12 ) (resid 64 and name HN ) 3.0 1.2 0.5 ! A.260 at 1.42e+05 assign (resid 63 and name HG2# ) (resid 64 and name HN ) 3.0 1.2 1.0 ! A.261 at 4.43e+05 assign (resid 63 and name HB ) (resid 64 and name HN ) 2.5 0.7 0.4 ! A.258 at 5.65e+05 assign (resid 63 and name HA ) (resid 64 and name HN ) 2.5 0.7 0.4 ! A.560 at 1.53e+06 assign (resid 63 and name HG11 ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.471 at 5.72e+04 assign (resid 63 and name HG12 ) (resid 65 and name HN ) 4.0 2.2 1.0 ! A.472 at 6.80e+04 assign (resid 63 and name HG2# ) (resid 65 and name HN ) 3.0 1.2 1.0 ! A.684 at 1.34e+05 ! 64 assign (resid 64 and name HB# ) (resid 64 and name HN ) 2.5 0.7 0.9 ! A.257 at 6.01e+05 assign (resid 64 and name HG# ) (resid 64 and name HN ) 2.5 0.7 0.9 ! A.256 at 7.70e+05 assign (resid 64 and name HA ) (resid 65 and name HN ) 2.5 0.7 0.4 ! A.1040 at 2.11e+06 assign (resid 64 and name HA ) (resid 66 and name HN ) 4.0 2.2 1.0 ! A.641 at 4.57e+04 ! 65 assign (resid 65 and name HG* ) (resid 65 and name HN ) 2.5 0.7 0.4 ! A.473 at 9.88e+05 assign (resid 65 and name HB ) (resid 65 and name HN ) 2.5 0.7 0.4 ! A.685 at 1.09e+06 assign (resid 65 and name HN ) (resid 66 and name HA ) 4.0 2.2 1.0 ! A.683 at 5.17e+04 assign (resid 65 and name HA ) (resid 66 and name HN ) 2.5 0.7 0.4 ! A.474 at 9.43e+05 ! 66 assign (resid 66 and name HG# ) (resid 66 and name HN ) 3.0 1.2 1.0 ! A.268 at 2.67e+05 assign (resid 66 and name HB# ) (resid 66 and name HN ) 2.5 0.7 0.9 ! A.267 at 6.33e+05 assign (resid 66 and name HN ) (resid 67 and name HB# ) 4.0 2.2 1.5 ! A.693 at 4.82e+04 assign (resid 66 and name HB# ) (resid 67 and name HN ) 3.0 1.2 1.0 ! A.280 at 2.21e+05 assign (resid 66 and name HG# ) (resid 67 and name HN ) 2.5 0.7 0.9 ! A.281 at 5.31e+05 ! 67 assign (resid 67 and name HB# ) (resid 67 and name HN ) 2.5 0.7 0.9 ! A.275 at 9.38e+05 assign (resid 67 and name HN ) (resid 68 and name HA ) 2.5 0.7 0.4 ! A.276 at 2.05e+06 assign (resid 67 and name HA ) (resid 68 and name HN ) 2.5 0.7 0.4 ! A.292 at 2.17e+06 assign (resid 67 and name HB# ) (resid 72 and name HN ) 4.0 2.2 1.5 ! A.482 at 9.92e+04 assign (resid 67 and name HB# ) (resid 73 and name HN ) 4.0 2.2 1.5 ! A.313 at 5.54e+04 assign (resid 67 and name HB# ) (resid 75 and name HN ) 4.0 2.2 1.5 ! A.740 at 8.40e+04 assign (resid 67 and name HB# ) (resid 76 and name HN ) 3.0 1.2 1.0 ! A.732 at 4.40e+05 ! 68 assign (resid 68 and name HB ) (resid 68 and name HN ) 2.5 0.7 0.4 ! A.283 at 5.65e+05 assign (resid 68 and name HG2# ) (resid 68 and name HN ) 2.5 0.7 0.9 ! A.284 at 6.13e+05 assign (resid 68 and name HB ) (resid 69 and name HN ) 4.0 2.2 1.0 ! A.7 at 8.82e+04 assign (resid 68 and name HG2# ) (resid 69 and name HN ) 3.0 1.2 1.0 ! A.296 at 4.00e+05 assign (resid 68 and name HA ) (resid 69 and name HN ) 2.5 0.7 0.4 ! A.8 at 1.42e+06 assign (resid 68 and name HN ) (resid 72 and name HA ) 4.0 2.2 2.0 ! A.1076 at 3.10e+04 assign (resid 68 and name HN ) (resid 72 and name HB1 ) 4.0 2.2 1.0 ! A.287 at 5.92e+04 assign (resid 68 and name HN ) (resid 72 and name HB2 ) 4.0 2.2 1.0 ! A.290 at 7.38e+04 assign (resid 68 and name HA ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.489 at 7.50e+04 assign (resid 68 and name HN ) (resid 72 and name HG2 ) 3.0 1.2 0.5 ! A.288 at 1.07e+05 ! 69 assign (resid 69 and name HA2 ) (resid 71 and name HN ) 4.0 2.2 2.0 ! A.1078 at 3.57e+04 assign (resid 69 and name HN ) (resid 71 and name HA ) 4.0 2.2 1.0 ! A.1077 at 4.09e+04 assign (resid 69 and name HA2 ) (resid 72 and name HN ) 4.0 2.2 2.0 ! A.853 at 3.04e+04 assign (resid 69 and name HA1 ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.490 at 5.52e+04 assign (resid 69 and name HN ) (resid 72 and name HG2 ) 4.0 2.2 1.0 ! A.294 at 9.36e+04 assign (resid 69 and name HN ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.10 at 9.55e+04 assign (resid 69 and name HN ) (resid 72 and name HG1 ) 3.0 1.2 0.5 ! A.477 at 1.17e+05 assign (resid 69 and name HN ) (resid 72 and name HA ) 3.0 1.2 0.5 ! A.9 at 1.27e+05 assign (resid 69 and name HN ) (resid 72 and name HB2 ) 3.0 1.2 0.5 ! A.295 at 3.62e+05 assign (resid 69 and name HN ) (resid 72 and name HB1 ) 2.5 0.7 0.4 ! A.293 at 9.00e+05 ! 70 assign (resid 70 and name HG1 ) (resid 71 and name HN ) 3.0 1.2 0.5 ! A.1079 at 1.05e+05 assign (resid 70 and name HA ) (resid 71 and name HN ) 3.0 1.2 0.5 ! A.305 at 1.57e+05 assign (resid 70 and name HD# ) (resid 71 and name HN ) 3.0 1.2 1.0 ! A.304 at 2.79e+05 assign (resid 70 and name HB1 ) (resid 71 and name HN ) 3.0 1.2 0.5 ! A.302 at 4.46e+05 assign (resid 70 and name HA ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.492 at 7.77e+04 ! 71 assign (resid 71 and name HG# ) (resid 71 and name HE22 ) 3.0 1.2 0.8 ! A.997 at 2.40e+05 assign (resid 71 and name HG# ) (resid 71 and name HN ) 2.5 0.7 0.9 ! A.299 at 5.14e+05 assign (resid 71 and name HB2 ) (resid 71 and name HN ) 2.5 0.7 0.4 ! A.300 at 5.46e+05 assign (resid 71 and name HA ) (resid 72 and name HN ) 3.0 1.2 0.5 ! A.488 at 4.28e+05 assign (resid 71 and name HN ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.856 at 5.24e+05 assign (resid 71 and name HA ) (resid 73 and name HN ) 3.0 1.2 0.5 ! A.429 at 1.24e+05 ! 72 assign (resid 72 and name HB2 ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.485 at 5.02e+05 assign (resid 72 and name HG2 ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.486 at 6.37e+05 assign (resid 72 and name HB1 ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.481 at 1.06e+06 assign (resid 72 and name HG1 ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.480 at 1.61e+06 assign (resid 72 and name HN ) (resid 73 and name HG2 ) 4.0 2.2 1.0 ! A.852 at 6.69e+04 assign (resid 72 and name HA ) (resid 73 and name HN ) 3.0 1.2 0.5 ! A.428 at 1.48e+05 assign (resid 72 and name HN ) (resid 73 and name HN ) 3.0 1.2 0.5 ! A.861 at 3.43e+05 assign (resid 72 and name HG1 ) (resid 73 and name HN ) 2.5 0.7 0.4 ! A.312 at 7.24e+05 assign (resid 72 and name HN ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.857 at 6.59e+04 assign (resid 72 and name HN ) (resid 75 and name HB# ) 4.0 2.2 1.5 ! A.484 at 8.36e+04 assign (resid 72 and name HA ) (resid 75 and name HN ) 3.0 1.2 0.5 ! A.497 at 2.30e+05 ! 73 assign (resid 73 and name HG2 ) (resid 73 and name HN ) 3.0 1.2 0.5 ! A.310 at 3.36e+05 assign (resid 73 and name HG1 ) (resid 73 and name HN ) 2.5 0.7 0.4 ! A.309 at 8.01e+05 assign (resid 73 and name HB# ) (resid 73 and name HN ) 2.5 0.7 0.9 ! A.430 at 1.62e+06 assign (resid 73 and name HG2 ) (resid 74 and name HN ) 3.0 1.2 0.5 ! A.318 at 4.09e+05 assign (resid 73 and name HN ) (resid 74 and name HN ) 2.5 0.7 0.4 ! A.859 at 7.77e+05 assign (resid 73 and name HB# ) (resid 74 and name HN ) 2.5 0.7 0.9 ! A.18 at 2.37e+06 assign (resid 73 and name HN ) (resid 75 and name HB# ) 4.0 2.2 1.5 ! A.865 at 5.13e+04 assign (resid 73 and name HN ) (resid 75 and name HN ) 3.0 1.2 0.5 ! A.749 at 2.76e+05 assign (resid 73 and name HA ) (resid 76 and name HN ) 3.0 1.2 0.5 ! A.508 at 3.22e+05 ! 74 assign (resid 74 and name HG2 ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.744 at 9.33e+04 assign (resid 74 and name HG1 ) (resid 75 and name HN ) 3.0 1.2 0.5 ! A.743 at 1.94e+05 assign (resid 74 and name HA ) (resid 75 and name HN ) 3.0 1.2 0.5 ! A.498 at 2.82e+05 assign (resid 74 and name HN ) (resid 75 and name HN ) 2.5 0.7 0.4 ! A.745 at 9.46e+05 assign (resid 74 and name HB# ) (resid 75 and name HN ) 2.5 0.7 0.9 ! A.501 at 9.64e+05 assign (resid 74 and name HB# ) (resid 76 and name HN ) 3.0 1.2 1.0 ! A.954 at 1.19e+05 assign (resid 74 and name HG2 ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.867 at 5.38e+04 assign (resid 74 and name HN ) (resid 77 and name HB# ) 4.0 2.2 1.5 ! A.618 at 7.87e+04 assign (resid 74 and name HB# ) (resid 77 and name HN ) 3.0 1.2 1.0 ! A.866 at 1.27e+05 ! 75 assign (resid 75 and name HB# ) (resid 75 and name HN ) 2.5 0.7 0.9 ! A.496 at 1.85e+06 assign (resid 75 and name HN ) (resid 76 and name HB1 ) 3.0 1.2 0.5 ! A.952 at 1.28e+05 assign (resid 75 and name HA ) (resid 76 and name HN ) 3.0 1.2 0.5 ! A.323 at 2.08e+05 assign (resid 75 and name HN ) (resid 76 and name HN ) 2.5 0.7 0.4 ! A.737 at 6.10e+05 assign (resid 75 and name HB# ) (resid 76 and name HN ) 2.5 0.7 0.9 ! A.735 at 1.11e+06 assign (resid 75 and name HA ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.606 at 5.18e+04 assign (resid 75 and name HN ) (resid 77 and name HB# ) 3.0 1.2 1.0 ! A.503 at 1.08e+05 assign (resid 75 and name HA ) (resid 78 and name HN ) 3.0 1.2 0.5 ! A.335 at 3.15e+05 assign (resid 75 and name HA ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.514 at 9.91e+04 ! 76 assign (resid 76 and name HD* ) (resid 76 and name HN ) 3.0 1.2 0.5 ! A.736 at 3.88e+05 assign (resid 76 and name HB1 ) (resid 76 and name HN ) 2.5 0.7 0.4 ! A.321 at 1.27e+06 assign (resid 76 and name HB2 ) (resid 76 and name HN ) 2.5 0.7 0.4 ! A.322 at 1.35e+06 assign (resid 76 and name HA ) (resid 77 and name HN ) 3.0 1.2 0.5 ! A.330 at 2.12e+05 assign (resid 76 and name HD* ) (resid 77 and name HN ) 3.0 1.2 0.5 ! A.329 at 2.78e+05 assign (resid 76 and name HN ) (resid 77 and name HN ) 2.5 0.7 0.4 ! A.870 at 5.80e+05 assign (resid 76 and name HB1 ) (resid 77 and name HN ) 2.5 0.7 0.4 ! A.328 at 8.70e+05 assign (resid 76 and name HB1 ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.1081 at 7.98e+04 assign (resid 76 and name HA ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.334 at 8.05e+04 assign (resid 76 and name HA ) (resid 79 and name HN ) 3.0 1.2 0.5 ! A.649 at 2.66e+05 ! 77 assign (resid 77 and name HB# ) (resid 77 and name HN ) 2.5 0.7 0.9 ! A.327 at 2.33e+06 assign (resid 77 and name HA ) (resid 78 and name HN ) 3.0 1.2 0.5 ! A.333 at 3.63e+05 assign (resid 77 and name HN ) (resid 78 and name HN ) 2.5 0.7 0.4 ! A.873 at 5.50e+05 assign (resid 77 and name HA ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.650 at 7.12e+04 assign (resid 77 and name HA ) (resid 80 and name HN ) 3.0 1.2 0.5 ! A.351 at 1.93e+05 assign (resid 77 and name HA ) (resid 81 and name HN ) 3.0 1.2 0.5 ! A.361 at 1.37e+05 ! 78 assign (resid 78 and name HB# ) (resid 78 and name HN ) 2.5 0.7 0.9 ! A.332 at 2.85e+06 assign (resid 78 and name HN ) (resid 79 and name HA ) 4.0 2.2 2.0 ! A.1002 at 3.55e+04 assign (resid 78 and name HN ) (resid 79 and name HG2# ) 3.0 1.2 1.0 ! A.877 at 1.17e+05 assign (resid 78 and name HN ) (resid 79 and name HG1# ) 3.0 1.2 1.0 ! A.876 at 1.97e+05 assign (resid 78 and name HA ) (resid 79 and name HN ) 3.0 1.2 0.5 ! A.651 at 2.40e+05 assign (resid 78 and name HB# ) (resid 79 and name HN ) 2.5 0.7 0.9 ! A.879 at 1.03e+06 assign (resid 78 and name HN ) (resid 79 and name HN ) 2.5 0.7 0.4 ! A.872 at 1.04e+06 assign (resid 78 and name HA ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.885 at 5.15e+04 assign (resid 78 and name HN ) (resid 80 and name HB ) 3.0 1.2 0.5 ! A.875 at 1.53e+05 ! 79 assign (resid 79 and name HG2# ) (resid 79 and name HN ) 3.0 1.2 1.0 ! A.342 at 3.63e+05 assign (resid 79 and name HG1# ) (resid 79 and name HN ) 2.5 0.7 0.9 ! A.341 at 1.51e+06 assign (resid 79 and name HB ) (resid 79 and name HN ) 2.5 0.7 0.4 ! A.340 at 1.57e+06 assign (resid 79 and name HN ) (resid 80 and name HG12 ) 3.0 1.2 0.5 ! A.1083 at 1.25e+05 assign (resid 79 and name HA ) (resid 80 and name HN ) 3.0 1.2 0.5 ! A.350 at 1.55e+05 assign (resid 79 and name HN ) (resid 80 and name HN ) 2.5 0.7 0.4 ! A.883 at 6.58e+05 assign (resid 79 and name HA ) (resid 81 and name HN ) 4.0 2.2 1.0 ! A.360 at 7.25e+04 assign (resid 79 and name HB ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.897 at 8.43e+04 assign (resid 79 and name HG2# ) (resid 82 and name HN ) 3.0 1.2 1.0 ! A.1084 at 1.86e+05 assign (resid 79 and name HA ) (resid 82 and name HN ) 3.0 1.2 0.5 ! A.364 at 3.50e+05 assign (resid 79 and name HB ) (resid 83 and name HN ) 4.0 2.2 2.0 ! A.942 at 4.00e+04 assign (resid 79 and name HG2# ) (resid 83 and name HN ) 3.0 1.2 1.0 ! A.1015 at 1.04e+05 ! 80 assign (resid 80 and name HD1# ) (resid 80 and name HN ) 3.0 1.2 1.0 ! A.347 at 4.23e+05 assign (resid 80 and name HG2# ) (resid 80 and name HN ) 2.5 0.7 0.9 ! A.346 at 5.49e+05 assign (resid 80 and name HG1# ) (resid 80 and name HN ) 2.5 0.7 0.9 ! A.884 at 7.85e+05 assign (resid 80 and name HB ) (resid 80 and name HN ) 2.5 0.7 0.4 ! A.345 at 1.45e+06 assign (resid 80 and name HG11 ) (resid 81 and name HN ) 4.0 2.2 1.0 ! A.932 at 7.06e+04 assign (resid 80 and name HD1# ) (resid 81 and name HN ) 3.0 1.2 1.0 ! A.356 at 1.05e+05 assign (resid 80 and name HA ) (resid 81 and name HN ) 3.0 1.2 0.5 ! A.359 at 2.35e+05 assign (resid 80 and name HG12 ) (resid 81 and name HN ) 3.0 1.2 0.5 ! A.931 at 2.41e+05 assign (resid 80 and name HG2# ) (resid 81 and name HN ) 3.0 1.2 1.0 ! A.355 at 4.61e+05 assign (resid 80 and name HN ) (resid 81 and name HN ) 2.5 0.7 0.4 ! A.882 at 5.79e+05 assign (resid 80 and name HB ) (resid 81 and name HN ) 2.5 0.7 0.4 ! A.354 at 9.30e+05 assign (resid 80 and name HG12 ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.949 at 7.21e+04 assign (resid 80 and name HA ) (resid 82 and name HN ) 4.0 2.2 1.0 ! A.365 at 8.08e+04 assign (resid 80 and name HA ) (resid 83 and name HN ) 3.0 1.2 0.5 ! A.373 at 2.09e+05 assign (resid 80 and name HA ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.382 at 6.43e+04 assign (resid 80 and name HG2# ) (resid 84 and name HD22 ) 3.0 1.2 0.8 ! A.1052 at 1.57e+05 assign (resid 80 and name HG2# ) (resid 84 and name HD21 ) 3.0 1.2 0.8 ! A.1051 at 1.58e+05 ! 81 assign (resid 81 and name HB# ) (resid 81 and name HN ) 2.5 0.7 0.9 ! A.887 at 2.51e+06 assign (resid 81 and name HA ) (resid 82 and name HN ) 3.0 1.2 0.5 ! A.947 at 2.46e+05 assign (resid 81 and name HN ) (resid 82 and name HN ) 2.5 0.7 0.4 ! A.890 at 1.00e+06 assign (resid 81 and name HB# ) (resid 82 and name HN ) 2.5 0.7 0.9 ! A.896 at 1.74e+06 assign (resid 81 and name HA ) (resid 83 and name HN ) 4.0 2.2 1.0 ! A.899 at 7.63e+04 assign (resid 81 and name HN ) (resid 84 and name HB2 ) 4.0 2.2 2.0 ! A.1000 at 3.02e+04 assign (resid 81 and name HN ) (resid 84 and name HB1 ) 4.0 2.2 2.0 ! A.886 at 3.42e+04 assign (resid 81 and name HB# ) (resid 84 and name HN ) 4.0 2.2 1.5 ! A.386 at 9.71e+04 assign (resid 81 and name HA ) (resid 84 and name HN ) 3.0 1.2 0.5 ! A.384 at 3.00e+05 assign (resid 81 and name HB# ) (resid 85 and name HN ) 4.0 2.2 1.5 ! A.941 at 4.94e+04 ! 82 assign (resid 82 and name HD* ) (resid 82 and name HN ) 3.0 1.2 0.5 ! A.894 at 3.26e+05 assign (resid 82 and name HB1 ) (resid 82 and name HN ) 2.5 0.7 0.4 ! A.363 at 1.19e+06 assign (resid 82 and name HN ) (resid 83 and name HA ) 4.0 2.2 1.0 ! A.891 at 4.41e+04 assign (resid 82 and name HN ) (resid 83 and name HB2 ) 4.0 2.2 1.0 ! A.518 at 5.13e+04 assign (resid 82 and name HA ) (resid 83 and name HN ) 3.0 1.2 0.5 ! A.374 at 1.95e+05 assign (resid 82 and name HB2 ) (resid 83 and name HN ) 3.0 1.2 0.5 ! A.376 at 3.69e+05 assign (resid 82 and name HB1 ) (resid 83 and name HN ) 2.5 0.7 0.4 ! A.375 at 5.29e+05 assign (resid 82 and name HN ) (resid 83 and name HN ) 2.5 0.7 0.4 ! A.1085 at 7.38e+05 assign (resid 82 and name HB1 ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.908 at 4.22e+04 assign (resid 82 and name HA ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.383 at 8.78e+04 assign (resid 82 and name HB1 ) (resid 85 and name HN ) 4.0 2.2 1.0 ! A.905 at 4.75e+04 assign (resid 82 and name HA ) (resid 85 and name HN ) 4.0 2.2 1.0 ! A.668 at 8.89e+04 ! 83 assign (resid 83 and name HE# ) (resid 83 and name HN ) 4.0 2.2 1.5 ! A.1014 at 7.76e+04 assign (resid 83 and name HD# ) (resid 83 and name HN ) 3.0 1.2 1.0 ! A.1013 at 2.97e+05 assign (resid 83 and name HB1 ) (resid 83 and name HN ) 3.0 1.2 0.5 ! A.371 at 4.87e+05 assign (resid 83 and name HB2 ) (resid 83 and name HN ) 2.5 0.7 0.4 ! A.372 at 9.70e+05 assign (resid 83 and name HN ) (resid 84 and name HB2 ) 4.0 2.2 1.0 ! A.943 at 5.36e+04 assign (resid 83 and name HB1 ) (resid 84 and name HN ) 3.0 1.2 0.5 ! A.381 at 2.10e+05 assign (resid 83 and name HA ) (resid 84 and name HN ) 3.0 1.2 0.5 ! A.385 at 2.80e+05 assign (resid 83 and name HN ) (resid 84 and name HN ) 2.5 0.7 0.4 ! A.903 at 5.17e+05 assign (resid 83 and name HB1 ) (resid 85 and name HN ) 4.0 2.2 1.0 ! A.1004 at 4.38e+04 assign (resid 83 and name HA ) (resid 85 and name HN ) 3.0 1.2 0.5 ! A.393 at 1.31e+05 ! 84 assign (resid 84 and name HB2 ) (resid 84 and name HD21 ) 3.0 1.2 0.3 ! A.1053 at 1.48e+05 assign (resid 84 and name HB1 ) (resid 84 and name HN ) 2.5 0.7 0.4 ! A.379 at 5.92e+05 assign (resid 84 and name HB2 ) (resid 84 and name HN ) 2.5 0.7 0.4 ! A.380 at 1.13e+06 assign (resid 84 and name HB1 ) (resid 85 and name HN ) 3.0 1.2 0.5 ! A.390 at 1.45e+05 assign (resid 84 and name HB2 ) (resid 85 and name HN ) 3.0 1.2 0.5 ! A.391 at 1.79e+05 assign (resid 84 and name HA ) (resid 85 and name HN ) 2.5 0.7 0.4 ! A.395 at 5.32e+05 assign (resid 84 and name HN ) (resid 85 and name HN ) 2.5 0.7 0.4 ! A.937 at 6.17e+05 ! 85 assign (resid 85 and name HB# ) (resid 85 and name HN ) 2.5 0.7 0.9 ! A.389 at 7.66e+05 !@ END_XPLR_NOE_FILE
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