NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type | subtype | subsubtype |
4276 | 1f2h | 4636 | cing | recoord | dress | 1-original | 4 | XPLOR/CNS | distance | NOE | simple |
! intra_sel.awk RES_COUNT is 519 ! intra_sel.awk Range: 2 - 5 assign (resid 103 and name HD2# ) (resid 107 and name HD# ) 4.0 2.2 2.0 ! A.709 at 3.28e+05 assign (resid 99 and name HD# ) (resid 103 and name HD# ) 4.0 2.2 2.0 ! A.709 at 3.28e+05 assign (resid 73 and name HG# ) (resid 71 and name HD# ) 4.0 2.2 2.0 ! A.709 at 3.28e+05 assign (resid 17 and name HG ) (resid 19 and name HG* ) 4.0 2.2 1.5 ! A.709 at 3.28e+05 assign (resid 11 and name HH2 ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.213 at 3.21e+04 assign (resid 28 and name HB# ) (resid 32 and name HD# ) 3.0 1.2 0.8 ! A.27 at 8.10e+04 assign (resid 86 and name HE# ) (resid 90 and name HD# ) 4.0 2.2 1.0 ! A.222 at 5.82e+04 assign (resid 16 and name HB2 ) (resid 18 and name HZ ) 4.0 2.2 1.0 ! A.251 at 8.26e+04 assign (resid 16 and name HB1 ) (resid 18 and name HZ ) 4.0 2.2 1.0 ! A.3383 at 7.15e+04 assign (resid 21 and name HB2 ) (resid 23 and name HB# ) 4.0 2.2 1.5 ! A.3537 at 8.52e+04 assign (resid 21 and name HB1 ) (resid 23 and name HB# ) 4.0 2.2 1.5 ! A.303 at -1.75e+05 assign (resid 23 and name HB# ) (resid 26 and name HG* ) 3.0 1.2 0.8 ! A.2450 at -2.17e+05 assign (resid 23 and name HD* ) (resid 26 and name HG* ) 3.0 1.2 1.3 ! A.3688 at -1.41e+06 assign (resid 23 and name HB# ) (resid 26 and name HB ) 4.0 2.2 1.0 ! A.2351 at 1.02e+05 assign (resid 23 and name HD* ) (resid 26 and name HB ) 3.0 1.2 0.8 ! A.1710 at 2.90e+05 assign (resid 23 and name HD2# ) (resid 26 and name HG* ) 3.0 1.2 1.3 ! A.2364 at 1.85e+06 assign (resid 27 and name HG* ) (resid 31 and name HA ) 4.0 2.2 1.5 ! A.471 at -1.02e+05 assign (resid 29 and name HA ) (resid 32 and name HB1 ) 4.0 2.2 1.0 ! A.1305 at -9.70e+04 assign (resid 30 and name HA ) (resid 33 and name HB# ) 3.0 1.2 0.8 ! A.1529 at -4.28e+05 assign (resid 31 and name HA ) (resid 34 and name HB# ) 4.0 2.2 1.0 ! A.473 at -9.75e+04 assign (resid 34 and name HD1 ) (resid 36 and name HB# ) 3.0 1.2 0.8 ! A.525 at -3.39e+05 assign (resid 34 and name HB# ) (resid 37 and name HB2 ) 4.0 2.2 1.0 ! A.2518 at 9.78e+04 assign (resid 34 and name HB# ) (resid 37 and name HB1 ) 4.0 2.2 1.0 ! A.2520 at 9.67e+04 assign (resid 34 and name HA ) (resid 37 and name HB2 ) 4.0 2.2 2.0 ! A.2542 at 6.11e+04 assign (resid 34 and name HB# ) (resid 37 and name HG# ) 4.0 2.2 2.0 ! A.4288 at 7.27e+04 assign (resid 35 and name HA ) (resid 37 and name HB2 ) 4.0 2.2 2.0 ! A.499 at -6.91e+04 assign (resid 35 and name HA ) (resid 38 and name HB# ) 3.0 1.2 0.3 ! A.3571 at 1.61e+05 assign (resid 35 and name HA ) (resid 38 and name HD# ) 4.0 2.2 1.5 ! A.3569 at -9.45e+04 assign (resid 35 and name HA ) (resid 38 and name HE# ) 4.0 2.2 1.5 ! A.4025 at 7.65e+04 assign (resid 35 and name HB# ) (resid 39 and name HG* ) 3.0 1.2 1.3 ! A.623 at -2.89e+05 assign (resid 36 and name HA ) (resid 39 and name HG* ) 3.0 1.2 0.8 ! A.522 at -1.68e+05 assign (resid 37 and name HA ) (resid 40 and name HB# ) 3.0 1.2 0.8 ! A.536 at -4.58e+05 assign (resid 37 and name HB2 ) (resid 40 and name HB# ) 4.0 2.2 2.0 ! A.544 at 6.96e+04 assign (resid 37 and name HA ) (resid 41 and name HB ) 4.0 2.2 1.0 ! A.287 at 7.74e+04 assign (resid 37 and name HB1 ) (resid 41 and name HG2# ) 4.0 2.2 1.5 ! A.658 at 1.96e+05 assign (resid 37 and name HA ) (resid 41 and name HG2# ) 4.0 2.2 1.5 ! A.3444 at 1.39e+05 assign (resid 38 and name HA ) (resid 41 and name HG1# ) 3.0 1.2 0.8 ! A.2550 at -2.12e+05 assign (resid 38 and name HA ) (resid 41 and name HB ) 3.0 1.2 0.3 ! A.551 at -1.71e+05 assign (resid 38 and name HA ) (resid 41 and name HG2# ) 3.0 1.2 0.8 ! A.652 at 1.59e+05 assign (resid 38 and name HB# ) (resid 42 and name HE# ) 4.0 2.2 2.0 ! A.2551 at 6.89e+04 assign (resid 38 and name HG# ) (resid 42 and name HD# ) 3.0 1.2 0.8 ! A.3098 at 2.29e+05 assign (resid 38 and name HG# ) (resid 42 and name HE# ) 3.0 1.2 0.8 ! A.1885 at 3.81e+05 assign (resid 39 and name HA ) (resid 42 and name HE# ) 4.0 2.2 1.0 ! A.136 at -8.99e+04 assign (resid 39 and name HG* ) (resid 42 and name HA ) 4.0 2.2 1.5 ! A.2562 at -9.13e+04 assign (resid 39 and name HG* ) (resid 42 and name HB# ) 3.0 1.2 1.3 ! A.617 at -3.13e+05 assign (resid 39 and name HG* ) (resid 42 and name HD# ) 4.0 2.2 2.0 ! A.624 at -8.00e+04 assign (resid 39 and name HA ) (resid 42 and name HB# ) 3.0 1.2 0.8 ! A.603 at -2.84e+05 assign (resid 39 and name HA ) (resid 42 and name HD# ) 4.0 2.2 2.0 ! A.2838 at -6.76e+04 assign (resid 39 and name HG* ) (resid 42 and name HE# ) 4.0 2.2 2.0 ! A.609 at 4.81e+04 assign (resid 40 and name HA ) (resid 43 and name HB# ) 3.0 1.2 0.8 ! A.626 at -6.60e+05 assign (resid 40 and name HA ) (resid 43 and name HG# ) 3.0 1.2 0.8 ! A.627 at -3.90e+05 assign (resid 40 and name HA ) (resid 43 and name HD# ) 3.0 1.2 0.8 ! A.628 at -2.05e+05 assign (resid 41 and name HG1# ) (resid 44 and name HB# ) 3.0 1.2 1.3 ! A.3730 at -3.21e+05 assign (resid 41 and name HA ) (resid 44 and name HB# ) 3.0 1.2 0.8 ! A.3122 at -4.85e+05 assign (resid 41 and name HG2# ) (resid 44 and name HB# ) 3.0 1.2 1.3 ! A.655 at 8.56e+05 assign (resid 41 and name HG1# ) (resid 45 and name HD* ) 3.0 1.2 1.3 ! A.3733 at -2.32e+06 assign (resid 41 and name HA ) (resid 45 and name HD* ) 3.0 1.2 0.8 ! A.3722 at -4.82e+05 assign (resid 41 and name HG1# ) (resid 45 and name HG ) 3.0 1.2 0.8 ! A.4289 at -2.69e+05 assign (resid 42 and name HB# ) (resid 45 and name HB2 ) 4.0 2.2 2.0 ! A.674 at 5.69e+04 assign (resid 42 and name HB# ) (resid 45 and name HD* ) 4.0 2.2 2.0 ! A.671 at 1.49e+05 assign (resid 42 and name HA ) (resid 45 and name HB1 ) 4.0 2.2 1.0 ! A.667 at -8.84e+04 assign (resid 42 and name HA ) (resid 45 and name HD* ) 3.0 1.2 0.8 ! A.668 at -3.12e+05 assign (resid 42 and name HA ) (resid 45 and name HB2 ) 4.0 2.2 1.0 ! A.666 at -1.01e+05 assign (resid 42 and name HA ) (resid 45 and name HN ) 4.0 2.2 2.0 ! A.664 at -5.93e+04 assign (resid 43 and name HA ) (resid 46 and name HB2 ) 4.0 2.2 1.0 ! A.269 at 1.04e+05 assign (resid 43 and name HA ) (resid 46 and name HB1 ) 3.0 1.2 0.3 ! A.4260 at 1.75e+05 assign (resid 44 and name HA ) (resid 47 and name HB# ) 3.0 1.2 0.8 ! A.4262 at-4.24e+06 OVLP assign (resid 45 and name HA ) (resid 48 and name HB# ) 3.0 1.2 0.8 ! A.704 at -3.21e+05 assign (resid 46 and name HA ) (resid 49 and name HB2 ) 4.0 2.2 1.0 ! A.744 at 8.65e+04 assign (resid 46 and name HA ) (resid 49 and name HB1 ) 4.0 2.2 1.0 ! A.725 at -1.20e+05 assign (resid 46 and name HA ) (resid 49 and name HD2# ) 4.0 2.2 1.5 ! A.1827 at 3.73e+05 assign (resid 46 and name HA ) (resid 49 and name HD1# ) 3.0 1.2 0.8 ! A.727 at -1.92e+05 assign (resid 48 and name HA ) (resid 51 and name HB# ) 3.0 1.2 0.8 ! A.626 at -6.60e+05OVLP assign (resid 48 and name HA ) (resid 51 and name HG# ) 4.0 2.2 1.5 ! A.4265 at -7.70e+05OVLP assign (resid 49 and name HD2# ) (resid 52 and name HB# ) 3.0 1.2 0.8 ! A.806 at -2.42e+05 assign (resid 49 and name HA ) (resid 52 and name HB# ) 3.0 1.2 0.8 ! A.3124 at -2.16e+05 assign (resid 50 and name HB# ) (resid 55 and name HA ) 4.0 2.2 1.5 ! A.4001 at -1.37e+05 assign (resid 50 and name HA ) (resid 55 and name HA ) 3.0 1.2 0.3 ! A.4049 at -1.72e+05 assign (resid 54 and name HA# ) (resid 58 and name HG1# ) 3.0 1.2 0.8 ! A.821 at 2.62e+05 assign (resid 54 and name HA# ) (resid 58 and name HG2# ) 4.0 2.2 1.5 ! A.3371 at 7.83e+04 assign (resid 54 and name HA# ) (resid 58 and name HB ) 4.0 2.2 2.0 ! A.3370 at 5.91e+04 assign (resid 54 and name HA# ) (resid 59 and name HD2# ) 4.0 2.2 1.5 ! A.3238 at 8.81e+04 assign (resid 54 and name HA# ) (resid 59 and name HD1# ) 3.0 1.2 0.8 ! A.928 at 1.52e+05 assign (resid 54 and name HA# ) (resid 59 and name HB2 ) 4.0 2.2 1.0 ! A.818 at 1.24e+05 assign (resid 55 and name HB# ) (resid 58 and name HG2# ) 4.0 2.2 1.5 ! A.2890 at -1.44e+05 assign (resid 55 and name HB# ) (resid 58 and name HG1# ) 3.0 1.2 0.8 ! A.869 at -1.63e+05 assign (resid 55 and name HA ) (resid 58 and name HG1# ) 4.0 2.2 1.5 ! A.827 at -6.02e+04 assign (resid 56 and name HA ) (resid 59 and name HB2 ) 4.0 2.2 2.0 ! A.838 at -4.90e+04 assign (resid 61 and name HB# ) (resid 64 and name HD# ) 4.0 2.2 1.5 ! A.3641 at 1.05e+05 assign (resid 61 and name HG# ) (resid 64 and name HD# ) 4.0 2.2 1.5 ! A.2601 at -9.94e+04 assign (resid 63 and name HB# ) (resid 65 and name HE1 ) 4.0 2.2 2.0 ! A.3920 at 5.72e+04 assign (resid 66 and name HD# ) (resid 71 and name HD2# ) 4.0 2.2 2.0 ! A.3281 at 6.95e+04 assign (resid 66 and name HA ) (resid 71 and name HD2# ) 4.0 2.2 1.5 ! A.1055 at -3.60e+05 assign (resid 66 and name HA ) (resid 71 and name HA ) 3.0 1.2 0.3 ! A.2763 at -1.97e+05 assign (resid 67 and name HB# ) (resid 70 and name HB# ) 4.0 2.2 1.0 ! A.115 at -9.25e+04 assign (resid 67 and name HB# ) (resid 72 and name HD# ) 3.0 1.2 0.8 ! A.2717 at -3.16e+05 assign (resid 67 and name HA ) (resid 72 and name HD# ) 4.0 2.2 1.5 ! A.2734 at -7.56e+04 assign (resid 67 and name HB# ) (resid 72 and name HG1# ) 4.0 2.2 2.0 ! A.1073 at -6.28e+04 assign (resid 71 and name HD2# ) (resid 73 and name HB ) 4.0 2.2 1.5 ! A.3789 at 7.62e+04 assign (resid 72 and name HG2# ) (resid 74 and name HB1 ) 4.0 2.2 1.5 ! A.3726 at -7.40e+04 assign (resid 73 and name HB ) (resid 75 and name HD* ) 4.0 2.2 1.5 ! A.3577 at 9.71e+04 assign (resid 75 and name HD* ) (resid 77 and name HZ ) 4.0 2.2 2.0 ! A.1157 at 6.32e+04 assign (resid 76 and name HB# ) (resid 78 and name HB# ) 4.0 2.2 2.0 ! A.3553 at 6.64e+04 assign (resid 77 and name HB# ) (resid 82 and name HB# ) 4.0 2.2 2.0 ! A.3352 at 5.19e+04 assign (resid 79 and name HA# ) (resid 81 and name HB# ) 4.0 2.2 2.0 ! A.2403 at 7.31e+04 assign (resid 82 and name HA ) (resid 85 and name HB# ) 3.0 1.2 0.8 ! A.2377 at -5.15e+05 assign (resid 82 and name HA ) (resid 85 and name HD# ) 4.0 2.2 1.5 ! A.2379 at -1.10e+05 assign (resid 82 and name HA ) (resid 85 and name HG# ) 4.0 2.2 1.5 ! A.4062 at -8.49e+04 assign (resid 83 and name HA ) (resid 86 and name HD# ) 4.0 2.2 1.5 ! A.1211 at -8.32e+04 assign (resid 83 and name HA ) (resid 86 and name HB1 ) 3.0 1.2 0.3 ! A.3127 at -1.63e+05 assign (resid 83 and name HA ) (resid 86 and name HB2 ) 4.0 2.2 1.0 ! A.1208 at -9.36e+04 assign (resid 84 and name HA# ) (resid 87 and name HB# ) 3.0 1.2 1.3 ! A.1498 at 1.90e+05 assign (resid 84 and name HA# ) (resid 87 and name HG ) 4.0 2.2 2.0 ! A.3480 at 5.18e+04 assign (resid 84 and name HA# ) (resid 87 and name HD* ) 4.0 2.2 1.5 ! A.1264 at 1.76e+05 assign (resid 85 and name HA ) (resid 88 and name HB# ) 3.0 1.2 0.8 ! A.4080 at 1.73e+05 assign (resid 85 and name HA ) (resid 88 and name HD# ) 4.0 2.2 1.5 ! A.4296 at -8.91+04 assign (resid 85 and name HA ) (resid 89 and name HB# ) 3.0 1.2 0.8 ! A.484 at -1.69e+05 assign (resid 86 and name HD# ) (resid 89 and name HB# ) 4.0 2.2 2.0 ! A.3618 at -7.37e+04 assign (resid 86 and name HA ) (resid 89 and name HB# ) 3.0 1.2 0.8 ! A.1226 at -4.95e+05 assign (resid 87 and name HA ) (resid 90 and name HB# ) 4.0 2.2 1.0 ! A.3272 at 1.04e+05 assign (resid 87 and name HA ) (resid 90 and name HD# ) 4.0 2.2 2.0 ! A.1247 at -5.83e+04 assign (resid 87 and name HD* ) (resid 90 and name HD# ) 4.0 2.2 2.0 ! A.453 at 6.91e+04 assign (resid 89 and name HA ) (resid 92 and name HB# ) 3.0 1.2 0.3 ! A.3128 at -2.39e+05 assign (resid 91 and name HA ) (resid 94 and name HB# ) 3.0 1.2 0.8 ! A.4122 at -1.65e+05 assign (resid 91 and name HA ) (resid 95 and name HG ) 4.0 2.2 1.0 ! A.4123 at -1.65e+05 assign (resid 91 and name HA ) (resid 95 and name HD* ) 3.0 1.2 0.8 ! A.4124 at -2.17e+05 assign (resid 92 and name HA ) (resid 95 and name HB2 ) 4.0 2.2 1.0 ! A.3797 at 1.39e+05 assign (resid 92 and name HA ) (resid 95 and name HD2# ) 4.0 2.2 1.5 ! A.4063 at -1.16e+05 assign (resid 93 and name HA# ) (resid 96 and name HB1 ) 4.0 2.2 2.0 ! A.1182 at 6.94e+04 assign (resid 95 and name HA ) (resid 98 and name HB# ) 3.0 1.2 1.3 ! A.2966 at -2.08e+05 assign (resid 96 and name HD# ) (resid 99 and name HD* ) 3.0 1.2 1.3 ! A.3505 at 3.19e+05 assign (resid 96 and name HA ) (resid 99 and name HD* ) 3.0 1.2 0.8 ! A.1389 at -4.57e+05 assign (resid 97 and name HB# ) (resid 100 and name HB# ) 4.0 2.2 2.0 ! A.4014 at 6.58e+04 assign (resid 97 and name HA ) (resid 100 and name HB# ) 4.0 2.2 1.5 ! A.4081 at 4.73e+04 assign (resid 97 and name HA ) (resid 100 and name HG# ) 3.0 1.2 0.8 ! A.1421 at -3.22e+05 assign (resid 98 and name HA ) (resid 101 and name HB# ) 3.0 1.2 0.8 ! A.626 at -6.60e+05OVLP assign (resid 99 and name HB# ) (resid 103 and name HD2# ) 3.0 1.2 0.8 ! A.4064 at 5.29e+05 assign (resid 99 and name HA ) (resid 103 and name HD2# ) 4.0 2.2 1.5 ! A.3744 at 1.51e+05 assign (resid 100 and name HA ) (resid 103 and name HB2 ) 4.0 2.2 1.0 ! A.3864 at 1.34e+05 assign (resid 100 and name HA ) (resid 103 and name HB1 ) 4.0 2.2 2.0 ! A.3132 at -5.72e+04 assign (resid 100 and name HA ) (resid 103 and name HD2# ) 3.0 1.2 0.8 ! A.3898 at -3.60e+05 assign (resid 100 and name HB# ) (resid 103 and name HD1# ) 4.0 2.2 2.0 ! A.1462 at 1.03e+05 assign (resid 101 and name HA ) (resid 104 and name HB# ) 3.0 1.2 0.8 ! A.1520 at -4.83e+05 assign (resid 102 and name HA ) (resid 105 and name HB# ) 3.0 1.2 0.8 ! A.3642 at -4.95e+05 assign (resid 103 and name HA ) (resid 106 and name HB# ) 3.0 1.2 0.8 ! A.1487 at -5.83e+05 assign (resid 103 and name HD2# ) (resid 106 and name HB# ) 3.0 1.2 1.3 ! A.3316 at 1.11e+06 assign (resid 103 and name HB2 ) (resid 107 and name HD* ) 3.0 1.2 0.8 ! A.4023 at 3.71e+05 assign (resid 104 and name HA ) (resid 107 and name HB# ) 4.0 2.2 1.5 ! A.1517 at -6.60e+04 assign (resid 104 and name HA ) (resid 107 and name HD* ) 3.0 1.2 0.8 ! A.1514 at -5.89e+05 assign (resid 104 and name HB# ) (resid 109 and name HG# ) 4.0 2.2 1.5 ! A.4131 at 9.49e+04 assign (resid 104 and name HA ) (resid 109 and name HB# ) 3.0 1.2 0.8 ! A.1513 at -1.90e+05 assign (resid 104 and name HA ) (resid 109 and name HG# ) 4.0 2.2 2.0 ! A.1516 at -7.39e+04 assign (resid 109 and name HG# ) (resid 112 and name HG1# ) 3.0 1.2 0.8 ! A.2426 at 1.59e+05 assign (resid 109 and name HB# ) (resid 112 and name HG1# ) 4.0 2.2 1.5 ! A.2529 at 1.04e+05 assign (resid 109 and name HA ) (resid 112 and name HG1# ) 4.0 2.2 1.5 ! A.1572 at -9.39e+04 assign (resid 112 and name HG2# ) (resid 114 and name HB# ) 3.0 1.2 0.8 ! A.1612 at -2.75e+05 assign (resid 114 and name HD* ) (resid 116 and name HD2# ) 3.0 1.2 1.3 ! A.1450 at 3.12e+05 assign (resid 118 and name HB1 ) (resid 120 and name HB# ) 4.0 2.2 1.5 ! A.3816 at -6.64e+05 assign (resid 118 and name HD* ) (resid 120 and name HB# ) 4.0 2.2 2.0 ! A.1797 at -7.09e+05 assign (resid 118 and name HD* ) (resid 120 and name HA ) 4.0 2.2 1.5 ! A.1790 at -1.00e+05 assign (resid 119 and name HA ) (resid 124 and name HA ) 4.0 2.2 1.0 ! A.1810 at -2.43e+05 assign (resid 119 and name HD# ) (resid 124 and name HA ) 4.0 2.2 1.5 ! A.1808 at -7.71e+04 assign (resid 119 and name HG# ) (resid 124 and name HA ) 4.0 2.2 1.5 ! A.1777 at 1.46e+05 assign (resid 120 and name HB# ) (resid 123 and name HB# ) 3.0 1.2 1.3 ! A.1799 at -2.00e+05 assign (resid 124 and name HA ) (resid 127 and name HB# ) 3.0 1.2 0.8 ! A.1803 at -3.21e+05 assign (resid 125 and name HA ) (resid 128 and name HB# ) 4.0 2.2 2.0 ! A.1855 at 7.12e+04 assign (resid 125 and name HA ) (resid 128 and name HD* ) 3.0 1.2 0.8 ! A.954 at 2.81e+05 assign (resid 126 and name HA ) (resid 129 and name HB# ) 4.0 2.2 1.5 ! A.1834 at -1.07e+05 assign (resid 126 and name HA ) (resid 129 and name HD* ) 3.0 1.2 0.8 ! A.1833 at -3.22e+05 assign (resid 126 and name HA ) (resid 129 and name HG ) 3.0 1.2 0.3 ! A.1831 at -3.38e+05 assign (resid 126 and name HB# ) (resid 129 and name HD1# ) 4.0 2.2 2.0 ! A.3754 at 6.54e+04 assign (resid 126 and name HA ) (resid 129 and name HD1# ) 3.0 1.2 0.8 ! A.3262 at 2.69e+05 assign (resid 131 and name HA ) (resid 134 and name HB# ) 4.0 2.2 1.5 ! A.3138 at -5.32e+04 assign (resid 131 and name HA ) (resid 134 and name HG# ) 4.0 2.2 1.5 ! A.3137 at -7.00e+04 assign (resid 132 and name HA ) (resid 135 and name HB# ) 3.0 1.2 0.3 ! A.549 at -1.90e+05 assign (resid 132 and name HA ) (resid 136 and name HD* ) 4.0 2.2 1.5 ! A.2778 at 1.10e+05 assign (resid 133 and name HA ) (resid 136 and name HB# ) 3.0 1.2 0.8 ! A.1275 at -2.60e+05 assign (resid 133 and name HA ) (resid 136 and name HD* ) 3.0 1.2 0.8 ! A.1907 at -3.92e+05 assign (resid 135 and name HA ) (resid 138 and name HB1 ) 4.0 2.2 1.0 ! A.1961 at -1.09e+05 assign (resid 135 and name HA ) (resid 138 and name HB2 ) 3.0 1.2 0.3 ! A.2693 at -1.81e+05 assign (resid 135 and name HB# ) (resid 139 and name HD1# ) 4.0 2.2 1.5 ! A.2859 at -9.25e+04 assign (resid 135 and name HA ) (resid 139 and name HG1# ) 4.0 2.2 1.0 ! A.2569 at 8.76e+04 assign (resid 136 and name HD* ) (resid 139 and name HD# ) 3.0 1.2 1.3 ! A.3428 at -6.28e+05 assign (resid 137 and name HA ) (resid 140 and name HB# ) 4.0 2.2 1.0 ! A.3384 at 9.54e+04 assign (resid 137 and name HA ) (resid 140 and name HD* ) 4.0 2.2 1.5 ! A.1986 at 1.09e+05 assign (resid 138 and name HA ) (resid 141 and name HB# ) 3.0 1.2 0.8 ! A.1948 at -3.05e+05 assign (resid 149 and name HB# ) (resid 152 and name HD1# ) 3.0 1.2 0.8 ! A.2066 at 2.04e+05 assign (resid 149 and name HB# ) (resid 152 and name HB2 ) 3.0 1.2 0.8 ! A.2067 at 3.11e+05 assign (resid 149 and name HA ) (resid 152 and name HB2 ) 4.0 2.2 1.0 ! A.2064 at -1.33e+05 assign (resid 149 and name HA ) (resid 152 and name HD1# ) 4.0 2.2 1.5 ! A.2824 at 9.16e+04 assign (resid 150 and name HA ) (resid 153 and name HB# ) 3.0 1.2 0.8 ! A.3093 at -5.28e+05 assign (resid 151 and name HA ) (resid 154 and name HG# ) 3.0 1.2 0.8 ! A.4272 at 5.57e+05 assign (resid 155 and name HD1# ) (resid 152 and name HA ) 3.0 1.2 0.8 ! A.1938 at 8.97e+05 assign (resid 152 and name HA ) (resid 155 and name HB# ) 3.0 1.2 0.8 ! A.4274 at -4.9e+05 assign (resid 153 and name HA ) (resid 156 and name HB# ) 3.0 1.2 0.8 ! A.3131 at -2.32e+05 assign (resid 154 and name HA ) (resid 157 and name HB1 ) 4.0 2.2 1.0 ! A.2123 at 2.49e+05 assign (resid 154 and name HA ) (resid 157 and name HB2 ) 3.0 1.2 0.3 ! A.2038 at 2.67e+05 assign (resid 155 and name HA ) (resid 158 and name HB# ) 3.0 1.2 0.8 ! A.3247 at -4.71e+05 assign (resid 156 and name HA ) (resid 159 and name HB# ) 3.0 1.2 0.3 ! A.711 at 1.70e+05 assign (resid 156 and name HA ) (resid 159 and name HD2# ) 3.0 1.2 0.8 ! A.1330 at -2.17e+05 assign (resid 156 and name HA ) (resid 159 and name HG ) 4.0 2.2 1.0 ! A.2997 at -3.94e+05 assign (resid 157 and name HA ) (resid 160 and name HB# ) 3.0 1.2 0.8 ! A.2121 at -3.86e+05 assign (resid 157 and name HA ) (resid 160 and name HD# ) 4.0 2.2 1.5 ! A.1586 at -1.35e+05 assign (resid 158 and name HA ) (resid 161 and name HB# ) 4.0 2.2 1.0 ! A.2138 at 1.27e+05 assign (resid 159 and name HA ) (resid 162 and name HB# ) 4.0 2.2 1.0 ! A.2143 at 9.55e+04 assign (resid 159 and name HA ) (resid 162 and name HD* ) 3.0 1.2 0.8 ! A.2149 at 2.20e+05 assign (resid 159 and name HD2# ) (resid 163 and name HB# ) 4.0 2.2 1.5 ! A.3984 at 1.27e+05 assign (resid 11 and name HZ3 ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.2022 at 5.47e+04 assign (resid 13 and name HN ) (resid 11 and name HH2 ) 4.0 2.2 1.0 ! A.1463 at 6.22e+04 assign (resid 21 and name HB# ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.218 at 9.01e+04 assign (resid 21 and name HA ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.1666 at 1.79e+05 assign (resid 23 and name HN ) (resid 26 and name HG* ) 4.0 2.2 1.5 ! A.256 at 1.05e+05 assign (resid 23 and name HD* ) (resid 26 and name HN ) 4.0 2.2 1.5 ! A.766 at 1.16e+05 assign (resid 26 and name HN ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.1652 at 1.24e+05 assign (resid 29 and name HN ) (resid 31 and name HN ) 4.0 2.2 1.0 ! A.278 at 8.45e+04 assign (resid 29 and name HA ) (resid 32 and name HN ) 4.0 2.2 1.0 ! A.1376 at 7.83e+04 assign (resid 30 and name HA ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.1223 at 1.59e+05 assign (resid 31 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.345 at 1.57e+05 assign (resid 32 and name HN ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.335 at 1.67e+05 assign (resid 32 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.353 at 7.35e+04 assign (resid 33 and name HB# ) (resid 37 and name HE2# ) 4.0 2.2 1.5 ! A.1941 at 5.80e+04 assign (resid 34 and name HE1 ) (resid 36 and name HN ) 4.0 2.2 1.0 ! A.1275 at 1.06e+05 assign (resid 34 and name HN ) (resid 37 and name HB1 ) 4.0 2.2 1.0 ! A.339 at 7.35e+04 assign (resid 34 and name HN ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.343 at 9.05e+04 assign (resid 34 and name HN ) (resid 37 and name HB2 ) 4.0 2.2 1.0 ! A.350 at 1.35e+05 assign (resid 34 and name HB# ) (resid 37 and name HN ) 4.0 2.2 1.5 ! A.629 at 1.17e+05 assign (resid 34 and name HA ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.679 at 6.60e+04 assign (resid 34 and name HD1 ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.1920 at 8.87e+04 assign (resid 35 and name HA ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.2041 at 7.07e+04 assign (resid 36 and name HN ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.675 at 1.26e+05 assign (resid 36 and name HA ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.1264 at 1.05e+05 assign (resid 36 and name HN ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.1792 at 6.32e+04 assign (resid 37 and name HN ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.1247 at 9.08e+04 assign (resid 37 and name HA ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.1245 at 8.54e+04 assign (resid 37 and name HA ) (resid 40 and name HN ) 3.0 1.2 0.5 ! A.430 at 2.85e+05 assign (resid 38 and name HN ) (resid 40 and name HN ) 4.0 2.2 1.0 ! A.425 at 7.40e+04 assign (resid 38 and name HA ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.928 at 1.19e+05 assign (resid 39 and name HA ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.598 at 1.59e+05 assign (resid 39 and name HG* ) (resid 43 and name HN ) 4.0 2.2 1.5 ! A.1097 at 1.00e+05 assign (resid 39 and name HA ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.1110 at 1.12e+05 assign (resid 40 and name HN ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.609 at 7.30e+04 assign (resid 40 and name HA ) (resid 43 and name HN ) 4.0 2.2 1.0 ! A.1115 at 1.74e+05 assign (resid 41 and name HA ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.386 at 2.30e+05 assign (resid 41 and name HA ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.2024 at 5.79e+04 assign (resid 42 and name HB# ) (resid 44 and name HN ) 4.0 2.2 1.5 ! A.387 at 1.09e+05 assign (resid 42 and name HN ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.399 at 1.02e+05 assign (resid 42 and name HN ) (resid 45 and name HD* ) 4.0 2.2 1.5 ! A.1905 at 1.55e+05 assign (resid 42 and name HA ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.619 at 1.12e+05 assign (resid 43 and name HA ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.1129 at 2.10e+05 assign (resid 43 and name HA ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.581 at 1.04e+05 assign (resid 44 and name HN ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.1866 at 1.68e+05 assign (resid 44 and name HA ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.1139 at 8.47e+04 assign (resid 45 and name HA ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.742 at 1.46e+05 assign (resid 46 and name HN ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.737 at 1.47e+05 assign (resid 46 and name HA ) (resid 49 and name HN ) 4.0 2.2 1.0 ! A.981 at 1.19e+05 assign (resid 46 and name HA ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.503 at 8.01e+04 assign (resid 46 and name HG# ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.1918 at 6.36e+04 assign (resid 47 and name HN ) (resid 49 and name HN ) 4.0 2.2 1.0 ! A.577 at 2.31e+05 assign (resid 47 and name HA ) (resid 50 and name HN ) 3.0 1.2 0.5 ! A.555 at 3.06e+05 assign (resid 48 and name HA ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.1861 at 1.19e+05 assign (resid 49 and name HN ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.1062 at 1.20e+05 assign (resid 49 and name HB1 ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.1432 at 1.60e+05 assign (resid 49 and name HA ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.1441 at 1.32e+05 assign (resid 49 and name HD2# ) (resid 52 and name HN ) 4.0 2.2 1.5 ! A.1442 at 9.86e+04 assign (resid 49 and name HD2# ) (resid 53 and name HN ) 4.0 2.2 1.5 ! A.1509 at 9.38e+04 assign (resid 49 and name HB1 ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.1514 at 1.43e+05 assign (resid 49 and name HB1 ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.1448 at 1.99e+05 assign (resid 50 and name HA ) (resid 52 and name HN ) 4.0 2.2 1.0 ! A.1443 at 1.26e+05 assign (resid 50 and name HA ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.1511 at 1.66e+05 assign (resid 50 and name HA ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.1454 at 5.16e+05 assign (resid 50 and name HA ) (resid 55 and name HN ) 4.0 2.2 1.0 ! A.2028 at 5.89e+05 assign (resid 52 and name HN ) (resid 54 and name HN ) 4.0 2.2 1.5 ! A.1444 at 1.31e+05 assign (resid 54 and name HN ) (resid 59 and name HD1# ) 3.0 1.2 1.0 ! A.1453 at 2.57e+05 assign (resid 55 and name HN ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.1167 at 1.06e+05 assign (resid 55 and name HB# ) (resid 57 and name HN ) 4.0 2.2 1.5 ! A.1331 at 1.56e+05 assign (resid 55 and name HN ) (resid 58 and name HG2# ) 4.0 2.2 1.5 ! A.1190 at 1.41e+05 assign (resid 55 and name HN ) (resid 58 and name HG1# ) 3.0 1.2 1.0 ! A.1195 at 7.64e+05 assign (resid 55 and name HN ) (resid 59 and name HD1# ) 4.0 2.2 1.5 ! A.1149 at 7.03e+04 assign (resid 56 and name HA ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.1429 at 8.42e+04 assign (resid 56 and name HA ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.98 at 2.03e+05 assign (resid 57 and name HN ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.95 at 1.15e+05 assign (resid 67 and name HN ) (resid 71 and name HD1# ) 4.0 2.2 1.5 ! A.656 at 2.77e+05 assign (resid 67 and name HN ) (resid 71 and name HA ) 4.0 2.2 1.0 ! A.658 at 1.73e+05 assign (resid 68 and name HA ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.75 at 4.60e+04 assign (resid 81 and name HA ) (resid 84 and name HN ) 4.0 2.2 1.0 ! A.1933 at 2.34e+05 assign (resid 82 and name HA ) (resid 85 and name HN ) 3.0 1.2 0.5 ! A.480 at 3.37e+05 assign (resid 83 and name HB# ) (resid 85 and name HN ) 4.0 2.2 1.5 ! A.490 at 1.07e+05 assign (resid 83 and name HN ) (resid 85 and name HN ) 4.0 2.2 1.0 ! A.491 at 8.61e+04 assign (resid 83 and name HA ) (resid 86 and name HN ) 4.0 2.2 1.0 ! A.398 at 1.61e+05 assign (resid 84 and name HA# ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.1906 at 7.24e+04 assign (resid 84 and name HA# ) (resid 87 and name HN ) 4.0 2.2 1.5 ! A.2099 at 5.68e+04 assign (resid 85 and name HA ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.843 at 2.04e+05 assign (resid 85 and name HA ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.456 at 8.44e+04 assign (resid 86 and name HA ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.1744 at 6.50e+04 assign (resid 86 and name HA ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.466 at 1.55e+05 assign (resid 87 and name HA ) (resid 90 and name HN ) 4.0 2.2 1.0 ! A.702 at 1.71e+05 assign (resid 87 and name HA ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.445 at 8.86e+04 assign (resid 88 and name HN ) (resid 90 and name HN ) 4.0 2.2 1.0 ! A.734 at 8.61e+04 assign (resid 89 and name HB# ) (resid 91 and name HN ) 4.0 2.2 1.5 ! A.424 at 7.30e+04 assign (resid 89 and name HA ) (resid 92 and name HN ) 3.0 1.2 0.5 ! A.1872 at 5.04e+05 assign (resid 90 and name HB# ) (resid 92 and name HN ) 4.0 2.2 1.5 ! A.1307 at 7.62e+04 assign (resid 90 and name HA ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.2046 at 1.38e+05 assign (resid 92 and name HN ) (resid 94 and name HN ) 4.0 2.2 1.0 ! A.160 at 1.20e+05 assign (resid 92 and name HB# ) (resid 94 and name HN ) 4.0 2.2 1.5 ! A.164 at 1.20e+05 assign (resid 93 and name HN ) (resid 95 and name HN ) 4.0 2.2 1.0 ! A.1737 at 6.29e+04 assign (resid 94 and name HA ) (resid 97 and name HN ) 3.0 1.2 0.5 ! A.821 at 2.66e+05 assign (resid 95 and name HA ) (resid 98 and name HN ) 3.0 1.2 0.5 ! A.705 at 7.53e+05 assign (resid 96 and name HA ) (resid 99 and name HN ) 4.0 2.2 1.0 ! A.685 at 1.26e+05 assign (resid 96 and name HN ) (resid 99 and name HD* ) 4.0 2.2 1.5 ! A.927 at 2.04e+05 assign (resid 97 and name HN ) (resid 99 and name HN ) 4.0 2.2 1.0 ! A.665 at 8.06e+04 assign (resid 97 and name HA ) (resid 99 and name HN ) 4.0 2.2 1.0 ! A.683 at 1.20e+05 assign (resid 97 and name HA ) (resid 100 and name HE2# ) 4.0 2.2 1.0 ! A.1664 at 1.22e+05 assign (resid 97 and name HA ) (resid 101 and name HN ) 4.0 2.2 1.0 ! A.1897 at 1.48e+05 assign (resid 98 and name HN ) (resid 101 and name HN ) 4.0 2.2 1.0 ! A.999 at 6.58e+04 assign (resid 99 and name HN ) (resid 101 and name HN ) 4.0 2.2 1.0 ! A.687 at 1.00e+05 assign (resid 99 and name HA ) (resid 103 and name HN ) 4.0 2.2 1.0 ! A.217 at 2.26e+05 assign (resid 100 and name HA ) (resid 103 and name HN ) 4.0 2.2 1.0 ! A.241 at 8.68e+04 assign (resid 100 and name HA ) (resid 104 and name HN ) 4.0 2.2 1.0 ! A.568 at 8.25e+04 assign (resid 101 and name HA ) (resid 104 and name HN ) 4.0 2.2 1.0 ! A.565 at 2.13e+05 assign (resid 101 and name HG# ) (resid 105 and name HN ) 4.0 2.2 1.5 ! A.1108 at 1.90e+05 assign (resid 102 and name HN ) (resid 104 and name HN ) 4.0 2.2 1.0 ! A.572 at 9.43e+04 assign (resid 102 and name HA ) (resid 105 and name HN ) 4.0 2.2 1.0 ! A.1102 at 3.44e+05 assign (resid 102 and name HB# ) (resid 105 and name HN ) 4.0 2.2 1.5 ! A.1112 at 1.71e+05 assign (resid 102 and name HA ) (resid 106 and name HN ) 4.0 2.2 1.0 ! A.804 at 1.43e+05 assign (resid 103 and name HN ) (resid 105 and name HN ) 4.0 2.2 1.0 ! A.1862 at 9.71e+04 assign (resid 103 and name HA ) (resid 106 and name HN ) 3.0 1.2 0.5 ! A.771 at 4.44e+05 assign (resid 103 and name HD1# ) (resid 106 and name HN ) 4.0 2.2 1.5 ! A.772 at 1.20e+05 assign (resid 103 and name HA ) (resid 107 and name HN ) 4.0 2.2 1.0 ! A.1382 at 2.20e+05 assign (resid 104 and name HN ) (resid 106 and name HN ) 4.0 2.2 1.0 ! A.520 at 9.48e+04 assign (resid 104 and name HA ) (resid 107 and name HN ) 4.0 2.2 1.0 ! A.1391 at 8.54e+04 assign (resid 104 and name HA ) (resid 108 and name HN ) 4.0 2.2 1.0 ! A.377 at 9.12e+04 assign (resid 104 and name HA ) (resid 109 and name HN ) 3.0 1.2 0.5 ! A.1870 at 2.99e+05 assign (resid 104 and name HB# ) (resid 109 and name HN ) 3.0 1.2 1.0 ! A.1299 at 2.65e+05 assign (resid 105 and name HN ) (resid 107 and name HN ) 4.0 2.2 1.0 ! A.1396 at 8.99e+04 assign (resid 105 and name HA ) (resid 108 and name HN ) 4.0 2.2 1.0 ! A.364 at 2.19e+05 assign (resid 105 and name HA ) (resid 109 and name HN ) 4.0 2.2 1.0 ! A.1910 at 1.19e+05 assign (resid 107 and name HD* ) (resid 109 and name HN ) 4.0 2.2 1.5 ! A.1285 at 2.06e+05 assign (resid 107 and name HN ) (resid 109 and name HN ) 4.0 2.2 1.0 ! A.1287 at 1.66e+05 assign (resid 107 and name HB# ) (resid 109 and name HN ) 4.0 2.2 1.5 ! A.1288 at 9.51e+04 assign (resid 109 and name HB# ) (resid 111 and name HN ) 4.0 2.2 1.0 ! A.1445 at 8.81e+04 assign (resid 109 and name HE2# ) (resid 112 and name HG2# ) 4.0 2.2 1.5 ! A.1408 at 6.77e+04 assign (resid 109 and name HE2# ) (resid 112 and name HG1# ) 4.0 2.2 1.5 ! A.1647 at 5.98e+04 assign (resid 118 and name HB2 ) (resid 120 and name HN ) 4.0 2.2 1.0 ! A.261 at 1.16e+05 assign (resid 120 and name HN ) (resid 123 and name HN ) 4.0 2.2 1.0 ! A.265 at 1.41e+05 assign (resid 120 and name HN ) (resid 124 and name HA ) 4.0 2.2 1.0 ! A.255 at 1.38e+05 assign (resid 120 and name HN ) (resid 124 and name HG# ) 4.0 2.2 1.5 ! A.1702 at 1.93e+05 assign (resid 121 and name HA# ) (resid 123 and name HN ) 4.0 2.2 1.5 ! A.891 at 2.03e+05 assign (resid 124 and name HG# ) (resid 126 and name HN ) 4.0 2.2 1.5 ! A.1238 at 1.72e+05 assign (resid 124 and name HG# ) (resid 127 and name HN ) 4.0 2.2 1.5 ! A.1134 at 1.55e+05 assign (resid 125 and name HA ) (resid 128 and name HN ) 4.0 2.2 1.0 ! A.992 at 1.59e+05 assign (resid 126 and name HA ) (resid 128 and name HN ) 4.0 2.2 1.0 ! A.1045 at 8.26e+04 assign (resid 126 and name HA ) (resid 129 and name HN ) 4.0 2.2 1.0 ! A.1257 at 1.44e+05 assign (resid 127 and name HA ) (resid 129 and name HN ) 4.0 2.2 1.0 ! A.1262 at 9.67e+04 assign (resid 128 and name HA ) (resid 130 and name HN ) 4.0 2.2 1.0 ! A.1038 at 1.47e+05 assign (resid 128 and name HA ) (resid 131 and name HN ) 4.0 2.2 1.0 ! A.689 at 7.81e+04 assign (resid 132 and name HN ) (resid 134 and name HN ) 4.0 2.2 1.0 ! A.1977 at 6.12e+04 assign (resid 133 and name HN ) (resid 135 and name HN ) 4.0 2.2 1.0 ! A.1179 at 9.37e+04 assign (resid 134 and name HA ) (resid 137 and name HN ) 3.0 1.2 0.5 ! A.1324 at 9.27e+05 assign (resid 135 and name HA ) (resid 138 and name HN ) 3.0 1.2 0.5 ! A.703 at 2.56e+05 assign (resid 139 and name HA ) (resid 141 and name HN ) 4.0 2.2 1.0 ! A.1068 at 7.73e+04 assign (resid 139 and name HA ) (resid 142 and name HN ) 4.0 2.2 1.0 ! A.982 at 7.81e+04 assign (resid 140 and name HN ) (resid 142 and name HN ) 4.0 2.2 1.0 ! A.610 at 6.21e+04 assign (resid 140 and name HB# ) (resid 142 and name HN ) 4.0 2.2 1.5 ! A.946 at 8.02e+04 assign (resid 140 and name HA ) (resid 142 and name HN ) 4.0 2.2 1.0 ! A.984 at 8.63e+04 assign (resid 145 and name HB# ) (resid 147 and name HN ) 4.0 2.2 1.5 ! A.618 at 9.21e+04 assign (resid 145 and name HA ) (resid 148 and name HN ) 4.0 2.2 1.0 ! A.543 at 1.37e+05 assign (resid 147 and name HA ) (resid 149 and name HN ) 4.0 2.2 1.0 ! A.195 at 1.28e+05 assign (resid 147 and name HA ) (resid 150 and name HN ) 4.0 2.2 1.0 ! A.174 at 8.44e+04 assign (resid 149 and name HA ) (resid 151 and name HN ) 4.0 2.2 1.0 ! A.793 at 1.11e+05 assign (resid 149 and name HB# ) (resid 151 and name HN ) 4.0 2.2 1.5 ! A.797 at 1.28e+05 assign (resid 149 and name HB# ) (resid 152 and name HN ) 4.0 2.2 1.5 ! A.968 at 1.75e+05 assign (resid 151 and name HN ) (resid 153 and name HN ) 4.0 2.2 1.0 ! A.1988 at 5.95e+04 assign (resid 154 and name HN ) (resid 156 and name HN ) 4.0 2.2 1.0 ! A.922 at 1.07e+05 assign (resid 154 and name HA ) (resid 157 and name HN ) 3.0 1.2 0.5 ! A.782 at 3.54e+05 assign (resid 155 and name HN ) (resid 157 and name HN ) 4.0 2.2 1.0 ! A.471 at 1.06e+05 assign (resid 155 and name HA ) (resid 158 and name HN ) 3.0 1.2 0.5 ! A.369 at 3.33e+05 assign (resid 155 and name HB# ) (resid 158 and name HN ) 4.0 2.2 1.5 ! A.1707 at 1.61e+05 assign (resid 155 and name HN ) (resid 158 and name HN ) 4.0 2.2 1.0 ! A.488 at 1.12e+05 assign (resid 156 and name HA ) (resid 159 and name HN ) 3.0 1.2 0.5 ! A.1030 at 2.61e+05 assign (resid 156 and name HA ) (resid 160 and name HN ) 4.0 2.2 1.0 ! A.824 at 7.59e+04 assign (resid 157 and name HA ) (resid 160 and name HN ) 3.0 1.2 0.5 ! A.857 at 3.22e+05 assign (resid 158 and name HN ) (resid 160 and name HN ) 4.0 2.2 1.0 ! A.379 at 2.91e+05 assign (resid 158 and name HN ) (resid 160 and name HB# ) 4.0 2.2 1.5 ! A.383 at 1.07e+05 assign (resid 158 and name HA ) (resid 161 and name HD2# ) 4.0 2.2 1.0 ! A.1399 at 6.70e+04 assign (resid 159 and name HA ) (resid 162 and name HN ) 3.0 1.2 0.5 ! A.522 at 3.85e+05 assign (resid 159 and name HA ) (resid 163 and name HN ) 4.0 2.2 1.0 ! A.1909 at 1.46e+05 assign (resid 160 and name HA ) (resid 163 and name HN ) 4.0 2.2 1.0 ! A.1729 at 1.46e+05
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