NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
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617956 |
5xk4   |
36081 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: minor_NOE.tbl
assign (segid " " and resid 50 and name HD1*) (segid " " and resid 50 and name HA) 2.509 0.787 0.787 weight 1.000 ! spec=CNOE , no=21, id=4, vol=1.164703e+08
assign (segid " " and resid 50 and name HD1*) (segid " " and resid 48 and name HB2) 2.880 1.037 1.037 weight 1.000 ! spec=CNOE , no=24, id=5, vol=5.095568e+07
assign (segid " " and resid 50 and name HD1*) (segid " " and resid 50 and name HD2*) 2.880 1.037 1.037 weight 1.000 ! spec=CNOE , no=24, id=5, vol=5.095568e+07
assign (segid " " and resid 50 and name HD1*) (segid " " and resid 50 and name HB2) 2.880 1.037 1.037 weight 1.000 ! spec=CNOE , no=25, id=5, vol=5.095568e+07
assign (segid " " and resid 50 and name HD1*) (segid " " and resid 45 and name HB2) 2.533 0.802 0.802 weight 1.000 ! spec=CNOE , no=29, id=8, vol=1.101666e+08
assign (segid " " and resid 50 and name HD1*) (segid " " and resid 45 and name HD*) 2.880 1.037 1.037 weight 1.000 ! spec=CNOE , no=30, id=5, vol=5.095568e+07
assign (segid " " and resid 50 and name HD1*) (segid " " and resid 59 and name HE*) 3.280 1.037 1.037 weight 1.000 ! spec=CNOE , no=31, id=5, vol=5.095568e+07
assign (segid " " and resid 50 and name HD1*) (segid " " and resid 50 and name HN) 3.093 1.195 1.195 weight 1.000 ! spec=CNOE , no=32, id=10, vol=3.324377e+07
assign (segid " " and resid 50 and name HD1*) (segid " " and resid 51 and name HN) 3.331 1.387 1.387 weight 1.000 ! spec=CNOE , no=33, id=11, vol=2.128813e+07
assign (segid " " and resid 17 and name HG1*) (segid " " and resid 17 and name HB) 2.357 0.695 0.695 weight 1.000 ! spec=CNOE , no=35, id=12, vol=1.694496e+08
assign (segid " " and resid 17 and name HG1*) (segid " " and resid 56 and name HD2*) 2.357 0.695 0.695 weight 1.000 ! spec=CNOE , no=38, id=12, vol=1.694496e+08
assign (segid " " and resid 17 and name HG1*) (segid " " and resid 15 and name HB1) 2.795 0.976 0.976 weight 1.000 ! spec=CNOE , no=39, id=13, vol=6.100260e+07
assign (segid " " and resid 17 and name HG1*) (segid " " and resid 17 and name HA) 2.795 0.976 0.976 weight 1.000 ! spec=CNOE , no=39, id=13, vol=6.100260e+07
assign (segid " " and resid 17 and name HG1*) (segid " " and resid 16 and name HA) 3.505 0.976 0.976 weight 1.000 ! spec=CNOE , no=42, id=13, vol=6.100260e+07
assign (segid " " and resid 17 and name HG1*) (segid " " and resid 17 and name HN) 3.505 0.976 0.976 weight 1.000 ! spec=CNOE , no=47, id=13, vol=6.100260e+07
assign (segid " " and resid 44 and name HG2*) (segid " " and resid 44 and name HA) 2.276 0.647 0.647 weight 1.000 ! spec=CNOE , no=48, id=14, vol=2.093482e+08
assign (segid " " and resid 36 and name HD1*) (segid " " and resid 36 and name HA) 2.553 0.815 0.815 weight 1.000 ! spec=CNOE , no=76, id=16, vol=1.050203e+08
assign (segid " " and resid 36 and name HD1*) (segid " " and resid 36 and name HB) 2.553 0.815 0.815 weight 1.000 ! spec=CNOE , no=79, id=16, vol=1.050203e+08
assign (segid " " and resid 13 and name HG2*) (segid " " and resid 13 and name HB) 2.162 0.584 0.584 weight 1.000 ! spec=CNOE , no=95, id=20, vol=2.847916e+08
assign (segid " " and resid 30 and name HG2*) (segid " " and resid 30 and name HA) 2.259 0.638 0.638 weight 1.000 ! spec=CNOE , no=105, id=25, vol=2.187513e+08
assign (segid " " and resid 30 and name HG2*) (segid " " and resid 31 and name HA) 2.797 0.978 0.978 weight 1.000 ! spec=CNOE , no=108, id=27, vol=6.067811e+07
assign (segid " " and resid 5 and name HG1*) (segid " " and resid 5 and name HB) 2.137 0.571 0.571 weight 1.000 ! spec=CNOE , no=137, id=37, vol=3.051024e+08
assign (segid " " and resid 70 and name HG1*) (segid " " and resid 70 and name HB) 2.258 0.637 0.637 weight 1.000 ! spec=CNOE , no=144, id=40, vol=2.193940e+08
assign (segid " " and resid 12 and name HG2*) (segid " " and resid 4 and name HB1) 2.892 1.076 1.076 weight 1.000 ! spec=CNOE , no=152, id=41, vol=1.214282e+08
assign (segid " " and resid 17 and name HG2*) (segid " " and resid 17 and name HB) 2.294 0.658 0.658 weight 1.000 ! spec=CNOE , no=155, id=42, vol=1.994820e+08
assign (segid " " and resid 26 and name HG1*) (segid " " and resid 26 and name HB) 1.978 0.489 0.489 weight 1.000 ! spec=CNOE , no=156, id=43, vol=4.853221e+08
assign (segid " " and resid 12 and name HG2*) (segid " " and resid 12 and name HB) 2.449 0.750 0.750 weight 1.000 ! spec=CNOE , no=174, id=50, vol=1.348900e+08
assign (segid " " and resid 66 and name HG2*) (segid " " and resid 67 and name HN) 2.600 0.500 0.500 weight 1.000 ! spec=CNOE , no=186, id=54, vol=8.129526e+07
assign (segid " " and resid 12 and name HG2*) (segid " " and resid 5 and name HN) 2.577 0.830 0.830 weight 1.000 ! spec=CNOE , no=189, id=55, vol=9.930218e+07
assign (segid " " and resid 7 and name HG2*) (segid " " and resid 7 and name HN) 2.316 0.671 0.671 weight 1.000 ! spec=CNOE , no=190, id=56, vol=1.883079e+08
assign (segid " " and resid 26 and name HG2*) (segid " " and resid 27 and name HN) 2.596 0.842 0.842 weight 1.000 ! spec=CNOE , no=196, id=59, vol=9.502004e+07
assign (segid " " and resid 7 and name HG2*) (segid " " and resid 7 and name HA) 2.084 0.543 0.543 weight 1.000 ! spec=CNOE , no=207, id=66, vol=3.545699e+08
assign (segid " " and resid 55 and name HG2*) (segid " " and resid 55 and name HA) 2.399 0.719 0.719 weight 1.000 ! spec=CNOE , no=213, id=70, vol=1.524977e+08
assign (segid " " and resid 66 and name HG2*) (segid " " and resid 66 and name HA) 2.500 0.719 0.719 weight 1.000 ! spec=CNOE , no=216, id=70, vol=1.524977e+08
assign (segid " " and resid 17 and name HG2*) (segid " " and resid 17 and name HA) 2.374 0.704 0.704 weight 1.000 ! spec=CNOE , no=218, id=73, vol=1.624511e+08
assign (segid " " and resid 15 and name HD1*) (segid " " and resid 30 and name HA) 3.074 0.704 0.704 weight 1.000 ! spec=CNOE , no=236, id=73, vol=1.624511e+08
assign (segid " " and resid 61 and name HG12) (segid " " and resid 61 and name HG11) 2.488 0.774 0.774 weight 1.000 ! spec=CNOE , no=245, id=79, vol=1.226628e+08
assign (segid " " and resid 24 and name HB2) (segid " " and resid 24 and name HA) 2.288 0.654 0.654 weight 1.000 ! spec=CNOE , no=274, id=88, vol=2.028315e+08
assign (segid " " and resid 23 and name HG11) (segid " " and resid 59 and name HE*) 3.190 1.272 1.272 weight 1.000 ! spec=CNOE , no=314, id=106, vol=2.757716e+07
assign (segid " " and resid 23 and name HG12) (segid " " and resid 59 and name HE*) 3.121 1.217 1.217 weight 1.000 ! spec=CNOE , no=315, id=107, vol=3.147453e+07
assign (segid " " and resid 56 and name HD2*) (segid " " and resid 56 and name HD1*) 2.240 0.627 0.627 weight 1.000 ! spec=CNOE , no=319, id=110, vol=2.299409e+08
assign (segid " " and resid 40 and name HB2) (segid " " and resid 40 and name HN) 2.683 0.900 0.900 weight 1.000 ! spec=CNOE , no=323, id=113, vol=7.794230e+07
assign (segid " " and resid 26 and name HB) (segid " " and resid 26 and name HG1*) 2.397 0.718 0.718 weight 1.000 ! spec=CNOE , no=327, id=115, vol=1.533897e+08
assign (segid " " and resid 26 and name HB) (segid " " and resid 26 and name HG2*) 2.218 0.615 0.615 weight 1.000 ! spec=CNOE , no=328, id=116, vol=2.445582e+08
assign (segid " " and resid 68 and name HB2) (segid " " and resid 68 and name HA) 3.177 1.262 1.262 weight 1.000 ! spec=CNOE , no=344, id=120, vol=2.827134e+07
assign (segid " " and resid 68 and name HB2) (segid " " and resid 68 and name HN) 3.183 1.267 1.267 weight 1.000 ! spec=CNOE , no=345, id=121, vol=2.794564e+07
assign (segid " " and resid 26 and name HB) (segid " " and resid 27 and name HN) 2.651 0.879 0.879 weight 1.000 ! spec=CNOE , no=347, id=122, vol=8.375040e+07
assign (segid " " and resid 34 and name HB2) (segid " " and resid 36 and name HD1*) 2.201 0.606 0.606 weight 1.000 ! spec=CNOE , no=363, id=129, vol=2.554456e+08
assign (segid " " and resid 54 and name HB2) (segid " " and resid 54 and name HN) 2.803 0.982 0.982 weight 1.000 ! spec=CNOE , no=370, id=134, vol=5.993944e+07
assign (segid " " and resid 27 and name HB2) (segid " " and resid 27 and name HN) 2.535 0.803 0.803 weight 1.000 ! spec=CNOE , no=380, id=135, vol=1.095527e+08
assign (segid " " and resid 34 and name HB2) (segid " " and resid 34 and name HN) 2.594 0.841 0.841 weight 1.000 ! spec=CNOE , no=382, id=136, vol=9.546428e+07
assign (segid " " and resid 40 and name HG2) (segid " " and resid 40 and name HN) 2.589 0.838 0.838 weight 1.000 ! spec=CNOE , no=389, id=140, vol=9.655285e+07
assign (segid " " and resid 6 and name HB1) (segid " " and resid 70 and name HA) 2.589 0.838 0.838 weight 1.000 ! spec=CNOE , no=397, id=140, vol=9.655285e+07
assign (segid " " and resid 29 and name HB2) (segid " " and resid 29 and name HA) 2.540 0.807 0.807 weight 1.000 ! spec=CNOE , no=398, id=145, vol=1.082044e+08
assign (segid " " and resid 41 and name HG2) (segid " " and resid 41 and name HB2) 2.441 0.745 0.745 weight 1.000 ! spec=CNOE , no=407, id=151, vol=1.375823e+08
assign (segid " " and resid 19 and name HB2) (segid " " and resid 19 and name HG2) 1.960 0.480 0.480 weight 1.000 ! spec=CNOE , no=411, id=154, vol=5.125886e+08
assign (segid " " and resid 41 and name HG2) (segid " " and resid 41 and name HA) 2.846 1.012 1.012 weight 1.000 ! spec=CNOE , no=412, id=155, vol=5.474194e+07
assign (segid " " and resid 34 and name HB2) (segid " " and resid 36 and name HN) 3.116 1.214 1.214 weight 1.000 ! spec=CNOE , no=416, id=156, vol=3.175120e+07
assign (segid " " and resid 54 and name HB1) (segid " " and resid 59 and name HE*) 3.800 1.200 1.200 weight 1.000 ! spec=CNOE , no=417, id=156, vol=3.175120e+07
assign (segid " " and resid 34 and name HB2) (segid " " and resid 36 and name HN) 3.054 1.166 1.166 weight 1.000 ! spec=CNOE , no=420, id=158, vol=3.584183e+07
assign (segid " " and resid 38 and name HB2) (segid " " and resid 38 and name HA) 2.800 0.800 0.800 weight 1.000 ! spec=CNOE , no=427, id=158, vol=3.584183e+07
assign (segid " " and resid 70 and name HB) (segid " " and resid 70 and name HG12) 2.284 0.652 0.652 weight 1.000 ! spec=CNOE , no=438, id=165, vol=2.050954e+08
assign (segid " " and resid 64 and name HG2) (segid " " and resid 64 and name HN) 2.475 0.766 0.766 weight 1.000 ! spec=CNOE , no=446, id=170, vol=1.263761e+08
assign (segid " " and resid 17 and name HB) (segid " " and resid 18 and name HN) 2.396 0.718 0.718 weight 1.000 ! spec=CNOE , no=448, id=172, vol=1.536831e+08
assign (segid " " and resid 25 and name HB2) (segid " " and resid 25 and name HN) 2.533 0.802 0.802 weight 1.000 ! spec=CNOE , no=452, id=175, vol=1.101442e+08
assign (segid " " and resid 25 and name HB1) (segid " " and resid 25 and name HN) 2.562 0.820 0.820 weight 1.000 ! spec=CNOE , no=453, id=176, vol=1.028757e+08
assign (segid " " and resid 34 and name HB1) (segid " " and resid 30 and name HG2*) 3.562 0.820 0.820 weight 1.000 ! spec=CNOE , no=463, id=176, vol=1.028757e+08
assign (segid " " and resid 59 and name HB1) (segid " " and resid 59 and name HB2) 2.318 0.671 0.671 weight 1.000 ! spec=CNOE , no=473, id=186, vol=1.875909e+08
assign (segid " " and resid 59 and name HB1) (segid " " and resid 59 and name HN) 2.634 0.867 0.867 weight 1.000 ! spec=CNOE , no=474, id=187, vol=8.700223e+07
assign (segid " " and resid 44 and name HB) (segid " " and resid 44 and name HN) 2.799 0.979 0.979 weight 1.000 ! spec=CNOE , no=476, id=188, vol=6.046347e+07
assign (segid " " and resid 59 and name HB2) (segid " " and resid 59 and name HN) 2.614 0.854 0.854 weight 1.000 ! spec=CNOE , no=478, id=189, vol=9.118689e+07
assign (segid " " and resid 60 and name HB2) (segid " " and resid 60 and name HB1) 2.210 0.610 0.610 weight 1.000 ! spec=CNOE , no=489, id=194, vol=2.497653e+08
assign (segid " " and resid 56 and name HB1) (segid " " and resid 56 and name HB2) 2.376 0.706 0.706 weight 1.000 ! spec=CNOE , no=492, id=195, vol=1.614785e+08
assign (segid " " and resid 21 and name HB2) (segid " " and resid 56 and name HD1*) 2.845 1.012 1.012 weight 1.000 ! spec=CNOE , no=496, id=197, vol=5.485874e+07
assign (segid " " and resid 21 and name HB2) (segid " " and resid 21 and name HB1) 1.959 0.480 0.480 weight 1.000 ! spec=CNOE , no=499, id=199, vol=5.148462e+08
assign (segid " " and resid 21 and name HB1) (segid " " and resid 22 and name HN) 2.497 0.780 0.780 weight 1.000 ! spec=CNOE , no=502, id=201, vol=1.198439e+08
assign (segid " " and resid 3 and name HB) (segid " " and resid 3 and name HN) 2.791 0.974 0.974 weight 1.000 ! spec=CNOE , no=508, id=203, vol=6.150431e+07
assign (segid " " and resid 58 and name HB1) (segid " " and resid 58 and name HB2) 2.252 0.634 0.634 weight 1.000 ! spec=CNOE , no=518, id=207, vol=2.226620e+08
assign (segid " " and resid 59 and name HB1) (segid " " and resid 59 and name HA) 2.899 1.051 1.051 weight 1.000 ! spec=CNOE , no=520, id=208, vol=4.898131e+07
assign (segid " " and resid 4 and name HB1) (segid " " and resid 12 and name HG2*) 3.884 0.689 0.689 weight 1.000 ! spec=CNOE , no=524, id=210, vol=3.378672e+07
assign (segid " " and resid 3 and name HB) (segid " " and resid 3 and name HD1*) 2.335 0.682 0.682 weight 1.000 ! spec=CNOE , no=527, id=211, vol=1.793964e+08
assign (segid " " and resid 3 and name HB) (segid " " and resid 3 and name HA) 2.904 1.054 1.054 weight 1.000 ! spec=CNOE , no=544, id=216, vol=4.850842e+07
assign (segid " " and resid 56 and name HB1) (segid " " and resid 56 and name HN) 2.917 1.064 1.064 weight 1.000 ! spec=CNOE , no=561, id=218, vol=4.718925e+07
assign (segid " " and resid 35 and name HA2) (segid " " and resid 36 and name HN) 3.089 1.193 1.193 weight 1.000 ! spec=CNOE , no=574, id=224, vol=3.347175e+07
assign (segid " " and resid 35 and name HA1) (segid " " and resid 36 and name HN) 3.098 1.200 1.200 weight 1.000 ! spec=CNOE , no=575, id=225, vol=3.289265e+07
assign (segid " " and resid 10 and name HA1) (segid " " and resid 10 and name HA2) 1.980 0.490 0.490 weight 1.000 ! spec=CNOE , no=576, id=226, vol=4.830654e+08
assign (segid " " and resid 47 and name HA2) (segid " " and resid 47 and name HA1) 2.179 0.593 0.593 weight 1.000 ! spec=CNOE , no=591, id=229, vol=2.719167e+08
assign (segid " " and resid 46 and name HA) (segid " " and resid 46 and name HB*) 2.436 0.742 0.742 weight 1.000 ! spec=CNOE , no=614, id=231, vol=1.390977e+08
assign (segid " " and resid 50 and name HA) (segid " " and resid 50 and name HB2) 2.740 0.939 0.939 weight 1.000 ! spec=CNOE , no=619, id=233, vol=6.866892e+07
assign (segid " " and resid 6 and name HB2) (segid " " and resid 6 and name HA) 2.584 0.834 0.834 weight 1.000 ! spec=CNOE , no=629, id=237, vol=9.774592e+07
assign (segid " " and resid 48 and name HB2) (segid " " and resid 48 and name HA) 2.128 0.566 0.566 weight 1.000 ! spec=CNOE , no=631, id=238, vol=3.134376e+08
assign (segid " " and resid 48 and name HG2) (segid " " and resid 48 and name HA) 2.341 0.685 0.685 weight 1.000 ! spec=CNOE , no=632, id=239, vol=1.764679e+08
assign (segid " " and resid 60 and name HA) (segid " " and resid 60 and name HB2) 2.715 0.921 0.921 weight 1.000 ! spec=CNOE , no=635, id=241, vol=7.265406e+07
assign (segid " " and resid 60 and name HA) (segid " " and resid 60 and name HN) 2.494 0.777 0.777 weight 1.000 ! spec=CNOE , no=637, id=243, vol=1.209834e+08
assign (segid " " and resid 69 and name HA) (segid " " and resid 70 and name HN) 2.542 0.808 0.808 weight 1.000 ! spec=CNOE , no=645, id=246, vol=1.077082e+08
assign (segid " " and resid 6 and name HA) (segid " " and resid 7 and name HN) 2.294 0.658 0.658 weight 1.000 ! spec=CNOE , no=646, id=247, vol=1.997879e+08
assign (segid " " and resid 43 and name HA) (segid " " and resid 44 and name HN) 2.138 0.572 0.572 weight 1.000 ! spec=CNOE , no=647, id=248, vol=3.041869e+08
assign (segid " " and resid 71 and name HA) (segid " " and resid 72 and name HN) 2.339 0.684 0.684 weight 1.000 ! spec=CNOE , no=648, id=249, vol=1.773936e+08
assign (segid " " and resid 54 and name HA) (segid " " and resid 55 and name HN) 2.526 0.798 0.798 weight 1.000 ! spec=CNOE , no=649, id=250, vol=1.119152e+08
assign (segid " " and resid 50 and name HA) (segid " " and resid 51 and name HN) 2.576 0.830 0.830 weight 1.000 ! spec=CNOE , no=653, id=253, vol=9.946064e+07
assign (segid " " and resid 2 and name HA) (segid " " and resid 16 and name HG1) 3.267 1.176 1.176 weight 1.000 ! spec=CNOE , no=657, id=255, vol=3.490842e+07
assign (segid " " and resid 60 and name HA) (segid " " and resid 60 and name HB1) 2.742 0.940 0.940 weight 1.000 ! spec=CNOE , no=660, id=256, vol=6.842995e+07
assign (segid " " and resid 28 and name HA) (segid " " and resid 28 and name HB*) 2.056 0.528 0.528 weight 1.000 ! spec=CNOE , no=662, id=258, vol=3.850886e+08
assign (segid " " and resid 68 and name HA) (segid " " and resid 69 and name HN) 2.408 0.725 0.725 weight 1.000 ! spec=CNOE , no=678, id=264, vol=1.491542e+08
assign (segid " " and resid 68 and name HA) (segid " " and resid 68 and name HN) 2.770 0.959 0.959 weight 1.000 ! spec=CNOE , no=679, id=265, vol=6.441784e+07
assign (segid " " and resid 4 and name HA) (segid " " and resid 5 and name HN) 2.465 0.760 0.760 weight 1.000 ! spec=CNOE , no=680, id=266, vol=1.295006e+08
assign (segid " " and resid 2 and name HA) (segid " " and resid 3 and name HN) 2.315 0.670 0.670 weight 1.000 ! spec=CNOE , no=681, id=267, vol=1.890684e+08
assign (segid " " and resid 39 and name HA) (segid " " and resid 39 and name HN) 2.705 0.915 0.915 weight 1.000 ! spec=CNOE , no=682, id=268, vol=7.425431e+07
assign (segid " " and resid 25 and name HA) (segid " " and resid 25 and name HN) 2.337 0.683 0.683 weight 1.000 ! spec=CNOE , no=685, id=271, vol=1.783892e+08
assign (segid " " and resid 21 and name HA) (segid " " and resid 21 and name HN) 2.201 0.605 0.605 weight 1.000 ! spec=CNOE , no=686, id=272, vol=2.558500e+08
assign (segid " " and resid 68 and name HB1) (segid " " and resid 68 and name HA) 2.704 0.914 0.914 weight 1.000 ! spec=CNOE , no=689, id=273, vol=7.434439e+07
assign (segid " " and resid 68 and name HA) (segid " " and resid 4 and name HB2) 2.704 0.914 0.914 weight 1.000 ! spec=CNOE , no=690, id=273, vol=7.434439e+07
assign (segid " " and resid 45 and name HB1) (segid " " and resid 45 and name HA) 2.388 0.713 0.713 weight 1.000 ! spec=CNOE , no=691, id=275, vol=1.567462e+08
assign (segid " " and resid 4 and name HB2) (segid " " and resid 4 and name HA) 2.765 0.956 0.956 weight 1.000 ! spec=CNOE , no=692, id=276, vol=6.505869e+07
assign (segid " " and resid 28 and name HB*) (segid " " and resid 25 and name HA) 2.162 0.584 0.584 weight 1.000 ! spec=CNOE , no=693, id=277, vol=2.846434e+08
assign (segid " " and resid 21 and name HA) (segid " " and resid 21 and name HB2) 2.484 0.771 0.771 weight 1.000 ! spec=CNOE , no=694, id=278, vol=1.237030e+08
assign (segid " " and resid 21 and name HA) (segid " " and resid 21 and name HB1) 2.549 0.812 0.812 weight 1.000 ! spec=CNOE , no=695, id=279, vol=1.059436e+08
assign (segid " " and resid 49 and name HA) (segid " " and resid 49 and name HG2) 2.238 0.626 0.626 weight 1.000 ! spec=CNOE , no=701, id=283, vol=2.311288e+08
assign (segid " " and resid 59 and name HA) (segid " " and resid 59 and name HN) 2.446 0.748 0.748 weight 1.000 ! spec=CNOE , no=712, id=287, vol=1.358516e+08
assign (segid " " and resid 56 and name HB2) (segid " " and resid 56 and name HA) 2.503 0.783 0.783 weight 1.000 ! spec=CNOE , no=721, id=292, vol=1.183858e+08
assign (segid " " and resid 5 and name HA) (segid " " and resid 6 and name HN) 2.371 0.703 0.703 weight 1.000 ! spec=CNOE , no=731, id=299, vol=1.636368e+08
assign (segid " " and resid 70 and name HA) (segid " " and resid 71 and name HN) 2.483 0.770 0.770 weight 1.000 ! spec=CNOE , no=733, id=301, vol=1.241663e+08
assign (segid " " and resid 13 and name HA) (segid " " and resid 14 and name HN) 2.432 0.739 0.739 weight 1.000 ! spec=CNOE , no=735, id=302, vol=1.406624e+08
assign (segid " " and resid 13 and name HA) (segid " " and resid 13 and name HN) 3.164 1.251 1.251 weight 1.000 ! spec=CNOE , no=736, id=303, vol=2.899155e+07
assign (segid " " and resid 24 and name HA) (segid " " and resid 27 and name HN) 2.862 1.024 1.024 weight 1.000 ! spec=CNOE , no=742, id=305, vol=5.291681e+07
assign (segid " " and resid 24 and name HA) (segid " " and resid 25 and name HN) 2.891 1.045 1.045 weight 1.000 ! spec=CNOE , no=743, id=306, vol=4.976452e+07
assign (segid " " and resid 29 and name HA) (segid " " and resid 29 and name HD2) 3.500 0.800 0.800 weight 1.000 ! spec=CNOE , no=744, id=307, vol=3.347422e+08
assign (segid " " and resid 17 and name HA) (segid " " and resid 17 and name HB) 2.269 0.644 0.644 weight 1.000 ! spec=CNOE , no=754, id=315, vol=2.129718e+08
assign (segid " " and resid 13 and name HA) (segid " " and resid 13 and name HD1*) 3.200 0.800 0.800 weight 1.000 ! spec=CNOE , no=756, id=317, vol=1.855376e+08
assign (segid " " and resid 66 and name HA) (segid " " and resid 67 and name HN) 2.439 0.443 0.443 weight 1.000 ! spec=CNOE , no=770, id=321, vol=1.382733e+08
assign (segid " " and resid 12 and name HA) (segid " " and resid 13 and name HN) 2.439 0.743 0.743 weight 1.000 ! spec=CNOE , no=771, id=321, vol=1.382733e+08
assign (segid " " and resid 66 and name HA) (segid " " and resid 66 and name HG2*) 2.652 0.879 0.879 weight 1.000 ! spec=CNOE , no=780, id=323, vol=8.349376e+07
assign (segid " " and resid 12 and name HA) (segid " " and resid 12 and name HG2*) 2.852 0.879 0.879 weight 1.000 ! spec=CNOE , no=781, id=323, vol=8.349376e+07
assign (segid " " and resid 70 and name HA) (segid " " and resid 70 and name HG1*) 2.426 0.736 0.736 weight 1.000 ! spec=CNOE , no=783, id=324, vol=1.426617e+08
assign (segid " " and resid 12 and name HA) (segid " " and resid 7 and name HN) 3.072 1.180 1.180 weight 1.000 ! spec=CNOE , no=797, id=325, vol=3.460598e+07
assign (segid " " and resid 30 and name HA) (segid " " and resid 30 and name HB) 2.957 1.093 1.093 weight 1.000 ! spec=CNOE , no=805, id=332, vol=4.353932e+07
assign (segid " " and resid 26 and name HA) (segid " " and resid 26 and name HG12) 2.355 0.693 0.693 weight 1.000 ! spec=CNOE , no=806, id=333, vol=1.706267e+08
assign (segid " " and resid 26 and name HA) (segid " " and resid 26 and name HG2*) 2.248 0.632 0.632 weight 1.000 ! spec=CNOE , no=807, id=334, vol=2.255191e+08
assign (segid " " and resid 19 and name HA) (segid " " and resid 56 and name HD1*) 2.764 0.955 0.955 weight 1.000 ! spec=CNOE , no=809, id=336, vol=6.519655e+07
assign (segid " " and resid 19 and name HA) (segid " " and resid 19 and name HB2) 2.347 0.688 0.688 weight 1.000 ! spec=CNOE , no=813, id=338, vol=1.740472e+08
assign (segid " " and resid 38 and name HB2) (segid " " and resid 38 and name HA) 2.255 0.635 0.635 weight 1.000 ! spec=CNOE , no=814, id=339, vol=2.214382e+08
assign (segid " " and resid 26 and name HA) (segid " " and resid 26 and name HN) 2.622 0.859 0.859 weight 1.000 ! spec=CNOE , no=817, id=341, vol=8.954736e+07
assign (segid " " and resid 30 and name HA) (segid " " and resid 33 and name HN) 3.070 1.178 1.178 weight 1.000 ! spec=CNOE , no=824, id=345, vol=3.475997e+07
assign (segid " " and resid 26 and name HA) (segid " " and resid 27 and name HN) 3.190 1.272 1.272 weight 1.000 ! spec=CNOE , no=826, id=346, vol=2.759220e+07
assign (segid " " and resid 66 and name HB) (segid " " and resid 66 and name HG2*) 2.496 0.779 0.779 weight 1.000 ! spec=CNOE , no=831, id=348, vol=1.202492e+08
assign (segid " " and resid 22 and name HB) (segid " " and resid 22 and name HA) 2.846 1.013 1.013 weight 1.000 ! spec=CNOE , no=834, id=350, vol=5.467621e+07
assign (segid " " and resid 14 and name HB) (segid " " and resid 14 and name HN) 2.846 1.013 1.013 weight 1.000 ! spec=CNOE , no=837, id=350, vol=5.467621e+07
assign (segid " " and resid 22 and name HB) (segid " " and resid 22 and name HN) 3.161 1.249 1.249 weight 1.000 ! spec=CNOE , no=842, id=351, vol=2.916169e+07
assign (segid " " and resid 22 and name HB) (segid " " and resid 22 and name HG2*) 2.567 0.824 0.824 weight 1.000 ! spec=CNOE , no=847, id=352, vol=1.016464e+08
assign (segid " " and resid 16 and name HG2) (segid " " and resid 16 and name HA) 3.192 1.273 1.273 weight 1.000 ! spec=CNOE , no=848, id=353, vol=2.751764e+07
assign (segid " " and resid 50 and name HD1*) (segid " " and resid 49 and name HA) 3.884 2.040 2.040 weight 1.000 ! spec=CNOE , no=874, id=357, vol=5.048755e+07
assign (segid " " and resid 15 and name HB2) (segid " " and resid 15 and name HA) 2.884 1.040 1.040 weight 1.000 ! spec=CNOE , no=880, id=357, vol=5.048755e+07
assign (segid " " and resid 15 and name HB1) (segid " " and resid 15 and name HA) 2.818 0.992 0.992 weight 1.000 ! spec=CNOE , no=881, id=358, vol=5.811825e+07
assign (segid " " and resid 71 and name HB2) (segid " " and resid 71 and name HD22) 2.270 0.644 0.644 weight 1.000 ! spec=CNOE , no=885, id=361, vol=2.123028e+08
assign (segid " " and resid 15 and name HB2) (segid " " and resid 5 and name HG2*) 3.273 0.646 0.646 weight 1.000 ! spec=CNOE , no=887, id=363, vol=2.107582e+08
assign (segid " " and resid 43 and name HB2) (segid " " and resid 43 and name HD22) 2.800 0.650 0.650 weight 1.000 ! spec=CNOE , no=888, id=364, vol=2.066004e+08
assign (segid " " and resid 15 and name HB1) (segid " " and resid 5 and name HG2*) 3.418 0.731 0.731 weight 1.000 ! spec=CNOE , no=889, id=365, vol=1.453172e+08
assign (segid " " and resid 43 and name HB2) (segid " " and resid 43 and name HB1) 2.800 0.800 0.800 weight 1.000 ! spec=CNOE , no=894, id=367, vol=4.270904e+08
assign (segid " " and resid 43 and name HB1) (segid " " and resid 44 and name HN) 2.821 1.010 1.010 weight 1.000 ! spec=CNOE , no=897, id=367, vol=4.270904e+08
assign (segid " " and resid 43 and name HB2) (segid " " and resid 44 and name HN) 3.193 1.275 1.275 weight 1.000 ! spec=CNOE , no=904, id=368, vol=2.742831e+07
assign (segid " " and resid 31 and name HA) (segid " " and resid 36 and name HN) 3.193 0.775 0.775 weight 1.000 ! spec=CNOE , no=909, id=368, vol=2.742831e+07
assign (segid " " and resid 59 and name HE*) (segid " " and resid 48 and name HB2) 3.800 1.183 1.183 weight 1.000 ! spec=CNOE , no=913, id=370, vol=3.428772e+07
assign (segid " " and resid 4 and name HA) (segid " " and resid 4 and name HN) 3.098 1.200 1.200 weight 1.000 ! spec=CNOE , no=914, id=371, vol=3.289246e+07
assign (segid " " and resid 69 and name HA) (segid " " and resid 69 and name HD1*) 2.624 0.861 0.861 weight 1.000 ! spec=CNOE , no=920, id=375, vol=8.911001e+07
assign (segid " " and resid 69 and name HA) (segid " " and resid 69 and name HN) 2.779 0.965 0.965 weight 1.000 ! spec=CNOE , no=925, id=378, vol=6.318553e+07
assign (segid " " and resid 64 and name HA) (segid " " and resid 65 and name HN) 3.153 1.243 1.243 weight 1.000 ! spec=CNOE , no=926, id=379, vol=2.957791e+07
assign (segid " " and resid 39 and name HA) (segid " " and resid 40 and name HN) 2.794 0.976 0.976 weight 1.000 ! spec=CNOE , no=931, id=382, vol=6.116894e+07
assign (segid " " and resid 56 and name HA) (segid " " and resid 59 and name HN) 3.294 0.976 0.976 weight 1.000 ! spec=CNOE , no=935, id=382, vol=6.116894e+07
assign (segid " " and resid 56 and name HA) (segid " " and resid 56 and name HN) 2.794 0.976 0.976 weight 1.000 ! spec=CNOE , no=935, id=382, vol=6.116894e+07
assign (segid " " and resid 36 and name HB) (segid " " and resid 36 and name HA) 2.492 0.776 0.776 weight 1.000 ! spec=CNOE , no=937, id=384, vol=1.213800e+08
assign (segid " " and resid 33 and name HA) (segid " " and resid 33 and name HB2) 2.147 0.576 0.576 weight 1.000 ! spec=CNOE , no=941, id=385, vol=2.965450e+08
assign (segid " " and resid 49 and name HB2) (segid " " and resid 49 and name HA) 2.221 0.617 0.617 weight 1.000 ! spec=CNOE , no=950, id=391, vol=2.420768e+08
assign (segid " " and resid 28 and name HA) (segid " " and resid 32 and name HN) 3.221 0.817 0.817 weight 1.000 ! spec=CNOE , no=950, id=391, vol=2.420768e+08
assign (segid " " and resid 33 and name HA) (segid " " and resid 34 and name HN) 2.983 1.112 1.112 weight 1.000 ! spec=CNOE , no=955, id=395, vol=4.125474e+07
assign (segid " " and resid 65 and name HA) (segid " " and resid 66 and name HN) 3.354 1.407 1.407 weight 1.000 ! spec=CNOE , no=974, id=399, vol=2.041173e+07
assign (segid " " and resid 21 and name HB2) (segid " " and resid 21 and name HN) 2.575 0.829 0.829 weight 1.000 ! spec=CNOE , no=983, id=403, vol=9.974426e+07
assign (segid " " and resid 15 and name HD1*) (segid " " and resid 15 and name HA) 2.228 0.620 0.620 weight 1.000 ! spec=CNOE , no=988, id=404, vol=2.377524e+08
assign (segid " " and resid 50 and name HB2) (segid " " and resid 50 and name HN) 3.104 1.204 1.204 weight 1.000 ! spec=CNOE , no=993, id=407, vol=3.253811e+07
assign (segid " " and resid 69 and name HD1*) (segid " " and resid 70 and name HA) 2.747 0.943 0.943 weight 1.000 ! spec=CNOE , no=1008, id=410, vol=6.765209e+07
assign (segid " " and resid 30 and name HG2*) (segid " " and resid 30 and name HN) 2.666 0.889 0.889 weight 1.000 ! spec=CNOE , no=1021, id=414, vol=8.093198e+07
assign (segid " " and resid 50 and name HD1*) (segid " " and resid 50 and name HB2) 2.668 0.890 0.890 weight 1.000 ! spec=CNOE , no=1023, id=415, vol=8.068610e+07
assign (segid " " and resid 7 and name HG2*) (segid " " and resid 13 and name HN) 2.577 0.830 0.830 weight 1.000 ! spec=CNOE , no=1026, id=416, vol=9.930218e+07
assign (segid " " and resid 23 and name HG11) (segid " " and resid 23 and name HN) 2.940 1.080 1.080 weight 1.000 ! spec=CNOE , no=1028, id=417, vol=4.503114e+07
assign (segid " " and resid 50 and name HD2*) (segid " " and resid 50 and name HD1*) 2.877 0.830 0.830 weight 1.000 ! spec=CNOE , no=1031, id=416, vol=9.930218e+07
assign (segid " " and resid 50 and name HD2*) (segid " " and resid 50 and name HA) 2.877 0.830 0.830 weight 1.000 ! spec=CNOE , no=1032, id=416, vol=9.930218e+07
assign (segid " " and resid 17 and name HG1*) (segid " " and resid 3 and name HG11) 3.277 0.830 0.830 weight 1.000 ! spec=CNOE , no=1034, id=416, vol=9.930218e+07
assign (segid " " and resid 36 and name HD1*) (segid " " and resid 36 and name HN) 3.277 0.830 0.830 weight 1.000 ! spec=CNOE , no=1036, id=416, vol=9.930218e+07
assign (segid " " and resid 36 and name HD1*) (segid " " and resid 34 and name HB1) 3.053 0.815 0.815 weight 1.000 ! spec=CNOE , no=1037, id=16, vol=1.050203e+08
assign (segid " " and resid 36 and name HD1*) (segid " " and resid 34 and name HB2) 3.053 0.815 0.815 weight 1.000 ! spec=CNOE , no=1038, id=16, vol=1.050203e+08
assign (segid " " and resid 36 and name HD1*) (segid " " and resid 36 and name HG11) 2.853 0.815 0.815 weight 1.000 ! spec=CNOE , no=1039, id=16, vol=1.050203e+08
assign (segid " " and resid 12 and name HG2*) (segid " " and resid 13 and name HN) 3.053 0.815 0.815 weight 1.000 ! spec=CNOE , no=1041, id=16, vol=1.050203e+08
assign (segid " " and resid 15 and name HD1*) (segid " " and resid 5 and name HB) 3.053 0.815 0.815 weight 1.000 ! spec=CNOE , no=1042, id=16, vol=1.050203e+08
assign (segid " " and resid 15 and name HD1*) (segid " " and resid 29 and name HD2) 3.553 1.215 1.215 weight 1.000 ! spec=CNOE , no=1042, id=16, vol=1.050203e+08
assign (segid " " and resid 15 and name HD1*) (segid " " and resid 33 and name HD1) 3.553 1.215 1.215 weight 1.000 ! spec=CNOE , no=1045, id=16, vol=1.050203e+08
assign (segid " " and resid 15 and name HD1*) (segid " " and resid 15 and name HB1) 3.553 1.215 1.215 weight 1.000 ! spec=CNOE , no=1047, id=16, vol=1.050203e+08
assign (segid " " and resid 7 and name HG2*) (segid " " and resid 11 and name HB1) 3.553 1.215 1.215 weight 1.000 ! spec=CNOE , no=1054, id=16, vol=1.050203e+08
assign (segid " " and resid 44 and name HB) (segid " " and resid 70 and name HN) 3.500 0.800 0.800 weight 1.000 ! spec=CNOE , no=1054, id=16, vol=1.050203e+08
assign (segid " " and resid 15 and name HB2) (segid " " and resid 3 and name HN) 3.553 1.215 1.215 weight 1.000 ! spec=CNOE , no=1056, id=16, vol=1.050203e+08
assign (segid " " and resid 4 and name HB2) (segid " " and resid 68 and name HA) 3.553 1.215 1.215 weight 1.000 ! spec=CNOE , no=1057, id=16, vol=1.050203e+08
assign (segid " " and resid 15 and name HD1*) (segid " " and resid 16 and name HN) 3.553 1.215 1.215 weight 1.000 ! spec=CNOE , no=1059, id=16, vol=1.050203e+08
assign (segid " " and resid 31 and name HA) (segid " " and resid 41 and name HE22) 3.553 1.215 1.215 weight 1.000 ! spec=CNOE , no=1060, id=16, vol=1.050203e+08
assign (segid " " and resid 30 and name HA) (segid " " and resid 13 and name HD1*) 3.553 1.215 1.215 weight 1.000 ! spec=CNOE , no=1065, id=16, vol=1.050203e+08
assign (segid " " and resid 13 and name HG1*) (segid " " and resid 33 and name HD1) 3.553 0.815 0.815 weight 1.000 ! spec=CNOE , no=1066, id=16, vol=1.050203e+08
assign (segid " " and resid 66 and name HA) (segid " " and resid 66 and name HB) 3.553 0.815 0.815 weight 1.000 ! spec=CNOE , no=1067, id=16, vol=1.050203e+08
assign (segid " " and resid 3 and name HA) (segid " " and resid 4 and name HN) 2.853 0.515 0.515 weight 1.000 ! spec=CNOE , no=1070, id=16, vol=1.050203e+08
assign (segid " " and resid 70 and name HB) (segid " " and resid 44 and name HN) 3.553 0.515 0.515 weight 1.000 ! spec=CNOE , no=1073, id=16, vol=1.050203e+08
assign (segid " " and resid 70 and name HB) (segid " " and resid 70 and name HN) 2.853 0.515 0.515 weight 1.000 ! spec=CNOE , no=1074, id=16, vol=1.050203e+08
assign (segid " " and resid 6 and name HB1) (segid " " and resid 6 and name HG1) 2.853 0.515 0.515 weight 1.000 ! spec=CNOE , no=1075, id=16, vol=1.050203e+08
assign (segid " " and resid 70 and name HA) (segid " " and resid 6 and name HN) 3.053 0.515 0.515 weight 1.000 ! spec=CNOE , no=1086, id=16, vol=1.050203e+08
assign (segid " " and resid 56 and name HA) (segid " " and resid 59 and name HB2) 3.500 1.200 1.200 weight 1.000 ! spec=CNOE , no=1087, id=16, vol=1.050203e+08
assign (segid " " and resid 56 and name HA) (segid " " and resid 59 and name HB1) 3.200 0.800 0.800 weight 1.000 ! spec=CNOE , no=1089, id=16, vol=1.050203e+08
assign (segid " " and resid 60 and name HB2) (segid " " and resid 60 and name HA) 2.800 0.500 0.500 weight 1.000 ! spec=CNOE , no=1087, id=16, vol=1.050203e+08
assign (segid " " and resid 58 and name HA) (segid " " and resid 58 and name HB2) 2.800 0.500 0.500 weight 1.000 ! spec=CNOE , no=1093, id=16, vol=1.050203e+08
assign (segid " " and resid 3 and name HN) (segid " " and resid 2 and name HA) 2.518 0.495 0.495 weight 1.000 ! spec=NNOE , no=24, id=420, vol=4.371409e+07
assign (segid " " and resid 3 and name HN) (segid " " and resid 15 and name HB1) 3.518 1.295 1.295 weight 1.000 ! spec=NNOE , no=26, id=420, vol=4.371409e+07
assign (segid " " and resid 3 and name HN) (segid " " and resid 3 and name HD1*) 3.099 1.201 1.201 weight 1.000 ! spec=NNOE , no=28, id=421, vol=5.483617e+07
assign (segid " " and resid 4 and name HN) (segid " " and resid 3 and name HA) 2.682 0.899 0.899 weight 1.000 ! spec=NNOE , no=29, id=422, vol=1.304055e+08
assign (segid " " and resid 4 and name HB2) (segid " " and resid 4 and name HN) 2.972 1.104 1.104 weight 1.000 ! spec=NNOE , no=30, id=423, vol=7.044730e+07
assign (segid " " and resid 4 and name HN) (segid " " and resid 3 and name HD1*) 3.036 1.152 1.152 weight 1.000 ! spec=NNOE , no=31, id=424, vol=6.203301e+07
assign (segid " " and resid 6 and name HN) (segid " " and resid 6 and name HA) 3.224 1.300 1.300 weight 1.000 ! spec=NNOE , no=33, id=425, vol=4.323980e+07
assign (segid " " and resid 6 and name HN) (segid " " and resid 5 and name HA) 2.524 0.400 0.400 weight 1.000 ! spec=NNOE , no=34, id=425, vol=4.323980e+07
assign (segid " " and resid 6 and name HN) (segid " " and resid 6 and name HB2) 2.854 1.018 1.018 weight 1.000 ! spec=NNOE , no=35, id=427, vol=8.998939e+07
assign (segid " " and resid 6 and name HN) (segid " " and resid 69 and name HB1) 3.812 1.290 1.290 weight 1.000 ! spec=NNOE , no=36, id=428, vol=4.420820e+07
assign (segid " " and resid 6 and name HN) (segid " " and resid 5 and name HG1*) 3.079 1.185 1.185 weight 1.000 ! spec=NNOE , no=37, id=429, vol=5.698202e+07
assign (segid " " and resid 7 and name HN) (segid " " and resid 7 and name HA) 3.086 1.190 1.190 weight 1.000 ! spec=NNOE , no=38, id=430, vol=5.626093e+07
assign (segid " " and resid 7 and name HN) (segid " " and resid 6 and name HA) 2.586 0.400 0.400 weight 1.000 ! spec=NNOE , no=39, id=430, vol=5.626093e+07
assign (segid " " and resid 7 and name HN) (segid " " and resid 6 and name HG1) 3.115 1.213 1.213 weight 1.000 ! spec=NNOE , no=41, id=433, vol=5.314653e+07
assign (segid " " and resid 8 and name HN) (segid " " and resid 8 and name HA) 3.461 1.497 1.497 weight 1.000 ! spec=NNOE , no=43, id=435, vol=2.829182e+07
assign (segid " " and resid 11 and name HN) (segid " " and resid 11 and name HB2) 3.696 1.708 1.708 weight 1.000 ! spec=NNOE , no=44, id=436, vol=1.905053e+07
assign (segid " " and resid 13 and name HN) (segid " " and resid 12 and name HA) 2.400 0.418 0.418 weight 1.000 ! spec=NNOE , no=48, id=437, vol=1.871124e+07
assign (segid " " and resid 67 and name HN) (segid " " and resid 67 and name HB2) 3.119 1.216 1.216 weight 1.000 ! spec=NNOE , no=51, id=442, vol=5.277281e+07
assign (segid " " and resid 13 and name HN) (segid " " and resid 7 and name HG2*) 3.255 1.019 1.019 weight 1.000 ! spec=NNOE , no=52, id=443, vol=8.970004e+07
assign (segid " " and resid 67 and name HN) (segid " " and resid 66 and name HA) 2.594 0.341 0.341 weight 1.000 ! spec=NNOE , no=54, id=445, vol=1.593830e+08
assign (segid " " and resid 14 and name HN) (segid " " and resid 14 and name HA) 3.087 1.191 1.191 weight 1.000 ! spec=NNOE , no=56, id=446, vol=5.611055e+07
assign (segid " " and resid 14 and name HN) (segid " " and resid 13 and name HA) 2.487 0.491 0.491 weight 1.000 ! spec=NNOE , no=57, id=446, vol=5.611055e+07
assign (segid " " and resid 14 and name HN) (segid " " and resid 13 and name HB) 3.098 1.199 1.199 weight 1.000 ! spec=NNOE , no=60, id=449, vol=5.498619e+07
assign (segid " " and resid 14 and name HN) (segid " " and resid 14 and name HG2*) 3.029 1.147 1.147 weight 1.000 ! spec=NNOE , no=61, id=450, vol=6.289097e+07
assign (segid " " and resid 15 and name HN) (segid " " and resid 14 and name HA) 2.429 0.447 0.447 weight 1.000 ! spec=NNOE , no=62, id=450, vol=6.289097e+07
assign (segid " " and resid 15 and name HN) (segid " " and resid 15 and name HA) 2.654 0.880 0.880 weight 1.000 ! spec=NNOE , no=63, id=451, vol=1.391683e+08
assign (segid " " and resid 15 and name HN) (segid " " and resid 15 and name HB2) 2.570 0.826 0.826 weight 1.000 ! spec=NNOE , no=65, id=452, vol=1.685158e+08
assign (segid " " and resid 16 and name HN) (segid " " and resid 15 and name HA) 2.596 0.842 0.842 weight 1.000 ! spec=NNOE , no=67, id=454, vol=1.588484e+08
assign (segid " " and resid 16 and name HN) (segid " " and resid 16 and name HB2) 2.827 0.999 0.999 weight 1.000 ! spec=NNOE , no=68, id=455, vol=9.517616e+07
assign (segid " " and resid 16 and name HN) (segid " " and resid 15 and name HB1) 3.097 1.199 1.199 weight 1.000 ! spec=NNOE , no=69, id=456, vol=5.502101e+07
assign (segid " " and resid 16 and name HN) (segid " " and resid 15 and name HD1*) 3.298 1.359 1.359 weight 1.000 ! spec=NNOE , no=70, id=457, vol=3.777636e+07
assign (segid " " and resid 17 and name HN) (segid " " and resid 16 and name HA) 2.614 0.854 0.854 weight 1.000 ! spec=NNOE , no=71, id=458, vol=1.523677e+08
assign (segid " " and resid 17 and name HN) (segid " " and resid 17 and name HA) 3.031 1.148 1.148 weight 1.000 ! spec=NNOE , no=72, id=459, vol=6.268523e+07
assign (segid " " and resid 17 and name HN) (segid " " and resid 17 and name HG2*) 3.125 1.221 1.221 weight 1.000 ! spec=NNOE , no=73, id=460, vol=5.215395e+07
assign (segid " " and resid 17 and name HN) (segid " " and resid 17 and name HG1*) 2.973 1.105 1.105 weight 1.000 ! spec=NNOE , no=74, id=461, vol=7.034499e+07
assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HA) 3.375 1.424 1.424 weight 1.000 ! spec=NNOE , no=75, id=462, vol=3.287827e+07
assign (segid " " and resid 18 and name HN) (segid " " and resid 17 and name HA) 2.850 1.015 1.015 weight 1.000 ! spec=NNOE , no=76, id=463, vol=9.075649e+07
assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HB2) 2.995 1.121 1.121 weight 1.000 ! spec=NNOE , no=78, id=465, vol=6.736057e+07
assign (segid " " and resid 18 and name HN) (segid " " and resid 17 and name HG2*) 3.221 1.297 1.297 weight 1.000 ! spec=NNOE , no=79, id=466, vol=4.351500e+07
assign (segid " " and resid 20 and name HN) (segid " " and resid 20 and name HA) 3.193 1.274 1.274 weight 1.000 ! spec=NNOE , no=82, id=469, vol=4.585204e+07
assign (segid " " and resid 20 and name HN) (segid " " and resid 20 and name HB2) 3.174 1.259 1.259 weight 1.000 ! spec=NNOE , no=83, id=470, vol=4.752918e+07
assign (segid " " and resid 20 and name HN) (segid " " and resid 18 and name HB2) 2.951 1.089 1.089 weight 1.000 ! spec=NNOE , no=84, id=471, vol=7.357554e+07
assign (segid " " and resid 20 and name HN) (segid " " and resid 18 and name HB1) 3.470 1.505 1.505 weight 1.000 ! spec=NNOE , no=85, id=472, vol=2.784280e+07
assign (segid " " and resid 21 and name HN) (segid " " and resid 21 and name HB1) 2.618 0.857 0.857 weight 1.000 ! spec=NNOE , no=89, id=474, vol=1.509816e+08
assign (segid " " and resid 21 and name HN) (segid " " and resid 56 and name HD12) 3.548 1.401 1.401 weight 1.000 ! spec=NNOE , no=92, id=476, vol=3.451217e+07
assign (segid " " and resid 22 and name HN) (segid " " and resid 21 and name HA) 2.563 0.821 0.821 weight 1.000 ! spec=NNOE , no=94, id=477, vol=1.713780e+08
assign (segid " " and resid 22 and name HN) (segid " " and resid 25 and name HB1) 3.149 1.239 1.239 weight 1.000 ! spec=NNOE , no=95, id=478, vol=4.987411e+07
assign (segid " " and resid 22 and name HN) (segid " " and resid 21 and name HB2) 3.215 1.292 1.292 weight 1.000 ! spec=NNOE , no=97, id=479, vol=4.400550e+07
assign (segid " " and resid 22 and name HN) (segid " " and resid 25 and name HB2) 3.252 1.322 1.322 weight 1.000 ! spec=NNOE , no=98, id=480, vol=4.111229e+07
assign (segid " " and resid 22 and name HN) (segid " " and resid 22 and name HB) 2.949 1.087 1.087 weight 1.000 ! spec=NNOE , no=100, id=482, vol=7.385451e+07
assign (segid " " and resid 23 and name HN) (segid " " and resid 24 and name HG2) 2.834 1.004 1.004 weight 1.000 ! spec=NNOE , no=106, id=486, vol=9.379314e+07
assign (segid " " and resid 23 and name HG12) (segid " " and resid 23 and name HN) 2.645 0.874 0.874 weight 1.000 ! spec=NNOE , no=107, id=487, vol=1.419055e+08
assign (segid " " and resid 25 and name HN) (segid " " and resid 24 and name HG2) 2.884 1.040 1.040 weight 1.000 ! spec=NNOE , no=117, id=493, vol=8.447436e+07
assign (segid " " and resid 24 and name HB2) (segid " " and resid 25 and name HN) 2.708 0.916 0.916 weight 1.000 ! spec=NNOE , no=118, id=494, vol=1.232733e+08
assign (segid " " and resid 25 and name HN) (segid " " and resid 26 and name HG1*) 4.248 1.486 1.486 weight 1.000 ! spec=NNOE , no=121, id=495, vol=2.890446e+07
assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HA) 2.887 1.042 1.042 weight 1.000 ! spec=NNOE , no=122, id=496, vol=8.387856e+07
assign (segid " " and resid 26 and name HN) (segid " " and resid 25 and name HB2) 3.168 1.255 1.255 weight 1.000 ! spec=NNOE , no=125, id=498, vol=4.806079e+07
assign (segid " " and resid 26 and name HN) (segid " " and resid 26 and name HB) 2.673 0.893 0.893 weight 1.000 ! spec=NNOE , no=126, id=499, vol=1.332687e+08
assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HG2) 2.924 1.069 1.069 weight 1.000 ! spec=NNOE , no=128, id=501, vol=7.770377e+07
assign (segid " " and resid 27 and name HN) (segid " " and resid 27 and name HG2) 2.388 0.713 0.713 weight 1.000 ! spec=NNOE , no=139, id=510, vol=2.620127e+08
assign (segid " " and resid 27 and name HN) (segid " " and resid 28 and name HN) 2.931 1.074 1.074 weight 1.000 ! spec=NNOE , no=141, id=512, vol=7.655497e+07
assign (segid " " and resid 28 and name HN) (segid " " and resid 27 and name HA) 3.015 1.136 1.136 weight 1.000 ! spec=NNOE , no=142, id=513, vol=6.472695e+07
assign (segid " " and resid 28 and name HN) (segid " " and resid 28 and name HA) 2.932 1.075 1.075 weight 1.000 ! spec=NNOE , no=143, id=514, vol=7.643084e+07
assign (segid " " and resid 28 and name HN) (segid " " and resid 27 and name HB2) 2.897 1.049 1.049 weight 1.000 ! spec=NNOE , no=145, id=515, vol=8.211602e+07
assign (segid " " and resid 28 and name HN) (segid " " and resid 28 and name HB*) 2.448 0.749 0.749 weight 1.000 ! spec=NNOE , no=146, id=516, vol=2.260143e+08
assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HA) 2.922 1.067 1.067 weight 1.000 ! spec=NNOE , no=148, id=517, vol=7.811308e+07
assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HB2) 2.645 0.875 0.875 weight 1.000 ! spec=NNOE , no=149, id=518, vol=1.418001e+08
assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HD2) 2.555 0.816 0.816 weight 1.000 ! spec=NNOE , no=150, id=519, vol=1.748158e+08
assign (segid " " and resid 29 and name HN) (segid " " and resid 28 and name HB*) 2.624 0.860 0.860 weight 1.000 ! spec=NNOE , no=151, id=520, vol=1.489553e+08
assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HE2) 3.441 1.480 1.480 weight 1.000 ! spec=NNOE , no=153, id=521, vol=2.925211e+07
assign (segid " " and resid 30 and name HN) (segid " " and resid 30 and name HA) 3.118 1.215 1.215 weight 1.000 ! spec=NNOE , no=156, id=524, vol=5.287289e+07
assign (segid " " and resid 30 and name HN) (segid " " and resid 30 and name HB) 3.234 1.307 1.307 weight 1.000 ! spec=NNOE , no=158, id=526, vol=4.247278e+07
assign (segid " " and resid 30 and name HN) (segid " " and resid 30 and name HD1*) 2.615 0.855 0.855 weight 1.000 ! spec=NNOE , no=160, id=528, vol=1.518638e+08
assign (segid " " and resid 31 and name HN) (segid " " and resid 28 and name HA) 2.959 0.800 0.800 weight 1.000 ! spec=NNOE , no=163, id=530, vol=7.242154e+07
assign (segid " " and resid 74 and name HN) (segid " " and resid 73 and name HA) 2.800 1.000 1.000 weight 1.000 ! spec=NNOE , no=164, id=532, vol=7.750930e+07
assign (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HN) 2.925 1.070 1.070 weight 1.000 ! spec=NNOE , no=165, id=532, vol=7.750930e+07
assign (segid " " and resid 32 and name HN) (segid " " and resid 33 and name HN) 3.044 1.158 1.158 weight 1.000 ! spec=NNOE , no=166, id=533, vol=6.107128e+07
assign (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HA) 3.444 1.483 1.483 weight 1.000 ! spec=NNOE , no=168, id=534, vol=2.909928e+07
assign (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HB2) 3.002 1.126 1.126 weight 1.000 ! spec=NNOE , no=171, id=536, vol=6.640661e+07
assign (segid " " and resid 33 and name HN) (segid " " and resid 33 and name HD2) 2.774 0.962 0.962 weight 1.000 ! spec=NNOE , no=177, id=541, vol=1.065175e+08
assign (segid " " and resid 33 and name HN) (segid " " and resid 34 and name HN) 2.673 0.893 0.893 weight 1.000 ! spec=NNOE , no=179, id=543, vol=1.330879e+08
assign (segid " " and resid 34 and name HN) (segid " " and resid 34 and name HA) 2.993 1.120 1.120 weight 1.000 ! spec=NNOE , no=180, id=544, vol=6.752140e+07
assign (segid " " and resid 34 and name HN) (segid " " and resid 34 and name HG2) 2.634 0.867 0.867 weight 1.000 ! spec=NNOE , no=186, id=546, vol=1.456049e+08
assign (segid " " and resid 35 and name HN) (segid " " and resid 36 and name HN) 2.834 1.004 1.004 weight 1.000 ! spec=NNOE , no=188, id=547, vol=9.372202e+07
assign (segid " " and resid 35 and name HN) (segid " " and resid 34 and name HA) 3.161 1.249 1.249 weight 1.000 ! spec=NNOE , no=189, id=548, vol=4.871230e+07
assign (segid " " and resid 35 and name HA2) (segid " " and resid 35 and name HN) 2.530 0.800 0.800 weight 1.000 ! spec=NNOE , no=190, id=549, vol=1.854060e+08
assign (segid " " and resid 36 and name HN) (segid " " and resid 35 and name HA2) 2.339 0.684 0.684 weight 1.000 ! spec=NNOE , no=192, id=550, vol=2.966178e+08
assign (segid " " and resid 35 and name HA1) (segid " " and resid 35 and name HN) 2.339 0.684 0.684 weight 1.000 ! spec=NNOE , no=194, id=550, vol=2.966178e+08
assign (segid " " and resid 36 and name HA) (segid " " and resid 36 and name HN) 2.786 0.970 0.970 weight 1.000 ! spec=NNOE , no=193, id=551, vol=1.040080e+08
assign (segid " " and resid 36 and name HN) (segid " " and resid 31 and name HA) 2.786 0.970 0.970 weight 1.000 ! spec=NNOE , no=195, id=551, vol=1.040080e+08
assign (segid " " and resid 36 and name HB) (segid " " and resid 36 and name HN) 2.276 0.648 0.648 weight 1.000 ! spec=NNOE , no=199, id=557, vol=3.494639e+08
assign (segid " " and resid 36 and name HN) (segid " " and resid 36 and name HD1*) 2.666 0.888 0.888 weight 1.000 ! spec=NNOE , no=202, id=560, vol=1.354535e+08
assign (segid " " and resid 40 and name HN) (segid " " and resid 41 and name HN) 2.551 0.813 0.813 weight 1.000 ! spec=NNOE , no=209, id=566, vol=1.764785e+08
assign (segid " " and resid 40 and name HN) (segid " " and resid 39 and name HN) 3.298 1.359 1.359 weight 1.000 ! spec=NNOE , no=210, id=567, vol=3.778169e+07
assign (segid " " and resid 40 and name HN) (segid " " and resid 40 and name HA) 2.848 1.014 1.014 weight 1.000 ! spec=NNOE , no=213, id=568, vol=9.097131e+07
assign (segid " " and resid 41 and name HA) (segid " " and resid 41 and name HN) 3.091 1.195 1.195 weight 1.000 ! spec=NNOE , no=216, id=570, vol=5.566100e+07
assign (segid " " and resid 41 and name HN) (segid " " and resid 41 and name HG2) 2.915 1.062 1.062 weight 1.000 ! spec=NNOE , no=217, id=571, vol=7.922864e+07
assign (segid " " and resid 41 and name HB2) (segid " " and resid 41 and name HN) 2.644 0.874 0.874 weight 1.000 ! spec=NNOE , no=218, id=572, vol=1.423739e+08
assign (segid " " and resid 42 and name HN) (segid " " and resid 41 and name HA) 2.647 0.876 0.876 weight 1.000 ! spec=NNOE , no=221, id=575, vol=1.412431e+08
assign (segid " " and resid 42 and name HN) (segid " " and resid 72 and name HB1) 3.247 0.876 0.876 weight 1.000 ! spec=NNOE , no=224, id=575, vol=1.412431e+08
assign (segid " " and resid 42 and name HN) (segid " " and resid 72 and name HB2) 3.247 0.876 0.876 weight 1.000 ! spec=NNOE , no=226, id=575, vol=1.412431e+08
assign (segid " " and resid 43 and name HN) (segid " " and resid 42 and name HA) 2.651 0.878 0.878 weight 1.000 ! spec=NNOE , no=230, id=581, vol=1.400540e+08
assign (segid " " and resid 43 and name HN) (segid " " and resid 43 and name HB1) 2.743 0.940 0.940 weight 1.000 ! spec=NNOE , no=231, id=582, vol=1.140730e+08
assign (segid " " and resid 43 and name HN) (segid " " and resid 43 and name HD22) 3.400 1.445 1.445 weight 1.000 ! spec=NNOE , no=233, id=584, vol=3.144247e+07
assign (segid " " and resid 44 and name HN) (segid " " and resid 44 and name HA) 3.420 1.462 1.462 weight 1.000 ! spec=NNOE , no=235, id=586, vol=3.035422e+07
assign (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HB2) 3.289 1.352 1.352 weight 1.000 ! spec=NNOE , no=237, id=588, vol=3.837113e+07
assign (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HD2*) 3.538 1.079 1.079 weight 1.000 ! spec=NNOE , no=239, id=590, vol=7.552560e+07
assign (segid " " and resid 45 and name HN) (segid " " and resid 48 and name HN) 3.551 1.576 1.576 weight 1.000 ! spec=NNOE , no=240, id=591, vol=2.423315e+07
assign (segid " " and resid 45 and name HN) (segid " " and resid 45 and name HA) 3.351 1.403 1.403 weight 1.000 ! spec=NNOE , no=241, id=592, vol=3.432488e+07
assign (segid " " and resid 45 and name HN) (segid " " and resid 44 and name HA) 2.640 0.871 0.871 weight 1.000 ! spec=NNOE , no=242, id=593, vol=1.434471e+08
assign (segid " " and resid 45 and name HN) (segid " " and resid 45 and name HB2) 2.994 1.121 1.121 weight 1.000 ! spec=NNOE , no=243, id=594, vol=6.739415e+07
assign (segid " " and resid 45 and name HN) (segid " " and resid 44 and name HD1*) 2.938 1.079 1.079 weight 1.000 ! spec=NNOE , no=244, id=595, vol=7.558718e+07
assign (segid " " and resid 47 and name HN) (segid " " and resid 47 and name HA2) 3.404 1.448 1.448 weight 1.000 ! spec=NNOE , no=245, id=596, vol=3.124281e+07
assign (segid " " and resid 47 and name HN) (segid " " and resid 47 and name HA1) 3.362 1.413 1.413 weight 1.000 ! spec=NNOE , no=247, id=598, vol=3.363856e+07
assign (segid " " and resid 47 and name HN) (segid " " and resid 44 and name HG2*) 3.578 1.427 1.427 weight 1.000 ! spec=NNOE , no=248, id=599, vol=3.268239e+07
assign (segid " " and resid 47 and name HN) (segid " " and resid 46 and name HA) 3.634 1.651 1.651 weight 1.000 ! spec=NNOE , no=249, id=600, vol=2.108150e+07
assign (segid " " and resid 50 and name HN) (segid " " and resid 49 and name HA) 2.557 0.817 0.817 weight 1.000 ! spec=NNOE , no=250, id=601, vol=1.740044e+08
assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HA) 3.328 1.385 1.385 weight 1.000 ! spec=NNOE , no=251, id=602, vol=3.575501e+07
assign (segid " " and resid 50 and name HN) (segid " " and resid 49 and name HG2) 3.189 1.272 1.272 weight 1.000 ! spec=NNOE , no=252, id=603, vol=4.616162e+07
assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HB1) 2.582 0.834 0.834 weight 1.000 ! spec=NNOE , no=254, id=605, vol=1.638615e+08
assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HD2*) 3.284 1.348 1.348 weight 1.000 ! spec=NNOE , no=256, id=607, vol=3.874786e+07
assign (segid " " and resid 51 and name HN) (segid " " and resid 51 and name HB2) 3.200 0.800 0.800 weight 1.000 ! spec=NNOE , no=260, id=611, vol=1.972235e+08
assign (segid " " and resid 51 and name HN) (segid " " and resid 51 and name HB1) 3.200 1.000 1.000 weight 1.000 ! spec=NNOE , no=261, id=612, vol=1.102802e+08
assign (segid " " and resid 51 and name HA) (segid " " and resid 51 and name HN) 2.954 1.091 1.091 weight 1.000 ! spec=NNOE , no=262, id=613, vol=7.316059e+07
assign (segid " " and resid 51 and name HN) (segid " " and resid 51 and name HG1) 3.200 1.000 1.000 weight 1.000 ! spec=NNOE , no=264, id=614, vol=1.460807e+08
assign (segid " " and resid 51 and name HN) (segid " " and resid 51 and name HG2) 3.200 1.000 1.000 weight 1.000 ! spec=NNOE , no=265, id=615, vol=1.444715e+08
assign (segid " " and resid 51 and name HG1) (segid " " and resid 52 and name HN) 2.856 0.754 0.754 weight 1.000 ! spec=NNOE , no=266, id=616, vol=2.212119e+08
assign (segid " " and resid 55 and name HN) (segid " " and resid 54 and name HB2) 2.764 0.955 0.955 weight 1.000 ! spec=NNOE , no=268, id=618, vol=1.088697e+08
assign (segid " " and resid 55 and name HN) (segid " " and resid 55 and name HG2*) 3.176 1.261 1.261 weight 1.000 ! spec=NNOE , no=269, id=619, vol=4.733208e+07
assign (segid " " and resid 55 and name HN) (segid " " and resid 54 and name HD2) 3.294 1.356 1.356 weight 1.000 ! spec=NNOE , no=270, id=620, vol=3.801902e+07
assign (segid " " and resid 56 and name HN) (segid " " and resid 55 and name HB) 2.845 1.012 1.012 weight 1.000 ! spec=NNOE , no=271, id=621, vol=9.156741e+07
assign (segid " " and resid 56 and name HN) (segid " " and resid 55 and name HA) 2.937 1.078 1.078 weight 1.000 ! spec=NNOE , no=273, id=622, vol=7.577056e+07
assign (segid " " and resid 56 and name HN) (segid " " and resid 56 and name HA) 3.141 1.233 1.233 weight 1.000 ! spec=NNOE , no=274, id=623, vol=5.061633e+07
assign (segid " " and resid 56 and name HD2*) (segid " " and resid 56 and name HN) 2.804 0.983 0.983 weight 1.000 ! spec=NNOE , no=276, id=625, vol=1.000471e+08
assign (segid " " and resid 56 and name HN) (segid " " and resid 56 and name HB2) 3.035 1.152 1.152 weight 1.000 ! spec=NNOE , no=277, id=626, vol=6.214330e+07
assign (segid " " and resid 56 and name HN) (segid " " and resid 56 and name HD1*) 3.154 1.244 1.244 weight 1.000 ! spec=NNOE , no=279, id=627, vol=4.934567e+07
assign (segid " " and resid 57 and name HN) (segid " " and resid 58 and name HN) 3.447 1.486 1.486 weight 1.000 ! spec=NNOE , no=280, id=628, vol=2.894370e+07
assign (segid " " and resid 57 and name HN) (segid " " and resid 57 and name HB2) 2.834 1.004 1.004 weight 1.000 ! spec=NNOE , no=283, id=631, vol=9.373788e+07
assign (segid " " and resid 57 and name HN) (segid " " and resid 55 and name HA) 2.951 1.089 1.089 weight 1.000 ! spec=NNOE , no=284, id=632, vol=7.356964e+07
assign (segid " " and resid 57 and name HN) (segid " " and resid 56 and name HB1) 3.113 1.211 1.211 weight 1.000 ! spec=NNOE , no=285, id=633, vol=5.343096e+07
assign (segid " " and resid 58 and name HN) (segid " " and resid 56 and name HN) 3.326 1.383 1.383 weight 1.000 ! spec=NNOE , no=287, id=634, vol=3.590700e+07
assign (segid " " and resid 58 and name HN) (segid " " and resid 57 and name HB2) 3.465 1.500 1.500 weight 1.000 ! spec=NNOE , no=290, id=636, vol=2.809732e+07
assign (segid " " and resid 59 and name HN) (segid " " and resid 58 and name HA) 3.256 1.325 1.325 weight 1.000 ! spec=NNOE , no=294, id=638, vol=4.079121e+07
assign (segid " " and resid 59 and name HN) (segid " " and resid 58 and name HB1) 3.315 1.374 1.374 weight 1.000 ! spec=NNOE , no=297, id=641, vol=3.659372e+07
assign (segid " " and resid 60 and name HN) (segid " " and resid 59 and name HB2) 3.634 1.651 1.651 weight 1.000 ! spec=NNOE , no=303, id=645, vol=2.108390e+07
assign (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HB2) 3.441 1.480 1.480 weight 1.000 ! spec=NNOE , no=304, id=646, vol=2.924526e+07
assign (segid " " and resid 60 and name HA) (segid " " and resid 61 and name HN) 2.885 1.040 1.040 weight 1.000 ! spec=NNOE , no=307, id=649, vol=8.433189e+07
assign (segid " " and resid 61 and name HN) (segid " " and resid 59 and name HB2) 3.749 1.757 1.757 weight 1.000 ! spec=NNOE , no=309, id=650, vol=1.750786e+07
assign (segid " " and resid 61 and name HN) (segid " " and resid 61 and name HG11) 2.936 1.078 1.078 weight 1.000 ! spec=NNOE , no=311, id=652, vol=7.582494e+07
assign (segid " " and resid 61 and name HN) (segid " " and resid 61 and name HG12) 3.540 1.566 1.566 weight 1.000 ! spec=NNOE , no=313, id=653, vol=2.469628e+07
assign (segid " " and resid 62 and name HN) (segid " " and resid 60 and name HN) 3.526 1.554 1.554 weight 1.000 ! spec=NNOE , no=314, id=654, vol=2.527873e+07
assign (segid " " and resid 62 and name HN) (segid " " and resid 62 and name HA) 3.473 1.508 1.508 weight 1.000 ! spec=NNOE , no=316, id=656, vol=2.769343e+07
assign (segid " " and resid 62 and name HN) (segid " " and resid 61 and name HA) 3.524 1.553 1.553 weight 1.000 ! spec=NNOE , no=317, id=657, vol=2.535418e+07
assign (segid " " and resid 62 and name HN) (segid " " and resid 62 and name HB2) 3.228 1.302 1.302 weight 1.000 ! spec=NNOE , no=318, id=658, vol=4.298220e+07
assign (segid " " and resid 62 and name HN) (segid " " and resid 61 and name HB) 3.828 1.302 1.302 weight 1.000 ! spec=NNOE , no=319, id=658, vol=4.298220e+07
#assign (segid " " and resid 62 and name HN) (segid " " and resid 63 and name HG2) 3.851 1.854 1.854 weight 1.000 ! spec=NNOE , no=321, id=660, vol=1.488744e+07
assign (segid " " and resid 63 and name HN) (segid " " and resid 62 and name HA) 3.541 1.567 1.567 weight 1.000 ! spec=NNOE , no=324, id=662, vol=2.466268e+07
assign (segid " " and resid 63 and name HN) (segid " " and resid 63 and name HG2) 3.826 1.830 1.830 weight 1.000 ! spec=NNOE , no=326, id=664, vol=1.548618e+07
assign (segid " " and resid 64 and name HN) (segid " " and resid 64 and name HB2) 3.124 1.220 1.220 weight 1.000 ! spec=NNOE , no=332, id=667, vol=5.222134e+07
assign (segid " " and resid 65 and name HN) (segid " " and resid 66 and name HN) 3.824 1.220 1.220 weight 1.000 ! spec=NNOE , no=333, id=667, vol=5.222134e+07
assign (segid " " and resid 65 and name HN) (segid " " and resid 64 and name HA) 3.000 0.800 0.800 weight 1.000 ! spec=NNOE , no=335, id=667, vol=5.222134e+07
assign (segid " " and resid 65 and name HN) (segid " " and resid 65 and name HB1) 3.000 0.800 0.800 weight 1.000 ! spec=NNOE , no=336, id=667, vol=5.222134e+07
assign (segid " " and resid 68 and name HN) (segid " " and resid 69 and name HN) 3.764 0.955 0.955 weight 1.000 ! spec=NNOE , no=344, id=677, vol=1.089903e+08
assign (segid " " and resid 68 and name HN) (segid " " and resid 67 and name HA) 2.564 0.455 0.455 weight 1.000 ! spec=NNOE , no=347, id=677, vol=1.089903e+08
assign (segid " " and resid 69 and name HN) (segid " " and resid 68 and name HA) 2.500 0.400 0.400 weight 1.000 ! spec=NNOE , no=351, id=679, vol=5.802793e+07
assign (segid " " and resid 69 and name HN) (segid " " and resid 5 and name HA) 3.070 1.178 1.178 weight 1.000 ! spec=NNOE , no=353, id=679, vol=5.802793e+07
assign (segid " " and resid 69 and name HN) (segid " " and resid 68 and name HB1) 3.407 1.451 1.451 weight 1.000 ! spec=NNOE , no=355, id=682, vol=3.106638e+07
assign (segid " " and resid 69 and name HN) (segid " " and resid 69 and name HD1*) 3.085 1.189 1.189 weight 1.000 ! spec=NNOE , no=356, id=685, vol=5.641066e+07
assign (segid " " and resid 69 and name HN) (segid " " and resid 4 and name HB2) 3.085 1.189 1.189 weight 1.000 ! spec=NNOE , no=358, id=685, vol=5.641066e+07
assign (segid " " and resid 70 and name HN) (segid " " and resid 69 and name HA) 2.400 0.400 0.400 weight 1.000 ! spec=NNOE , no=360, id=685, vol=5.641066e+07
assign (segid " " and resid 70 and name HN) (segid " " and resid 70 and name HA) 3.466 1.502 1.502 weight 1.000 ! spec=NNOE , no=361, id=688, vol=2.803117e+07
assign (segid " " and resid 70 and name HN) (segid " " and resid 70 and name HB) 2.895 1.048 1.048 weight 1.000 ! spec=NNOE , no=362, id=689, vol=8.246268e+07
assign (segid " " and resid 70 and name HN) (segid " " and resid 69 and name HD1*) 3.117 1.215 1.215 weight 1.000 ! spec=NNOE , no=365, id=692, vol=5.296629e+07
assign (segid " " and resid 70 and name HN) (segid " " and resid 69 and name HA) 2.400 0.400 0.400 weight 1.000 ! spec=NNOE , no=368, id=692, vol=5.296629e+07
assign (segid " " and resid 71 and name HN) (segid " " and resid 6 and name HN) 3.168 1.255 1.255 weight 1.000 ! spec=NNOE , no=367, id=696, vol=4.802937e+07
assign (segid " " and resid 71 and name HN) (segid " " and resid 71 and name HA) 3.168 1.255 1.255 weight 1.000 ! spec=NNOE , no=369, id=696, vol=4.802937e+07
assign (segid " " and resid 71 and name HN) (segid " " and resid 71 and name HB2) 2.821 0.995 0.995 weight 1.000 ! spec=NNOE , no=371, id=698, vol=9.633982e+07
assign (segid " " and resid 71 and name HN) (segid " " and resid 71 and name HD1*) 2.907 1.057 1.057 weight 1.000 ! spec=NNOE , no=375, id=701, vol=8.043623e+07
assign (segid " " and resid 72 and name HN) (segid " " and resid 71 and name HA) 2.467 0.502 0.502 weight 1.000 ! spec=NNOE , no=378, id=703, vol=2.799134e+07
assign (segid " " and resid 72 and name HN) (segid " " and resid 72 and name HA) 3.467 1.502 1.502 weight 1.000 ! spec=NNOE , no=379, id=703, vol=2.799134e+07
assign (segid " " and resid 72 and name HN) (segid " " and resid 72 and name HG2) 3.764 0.955 0.955 weight 1.000 ! spec=NNOE , no=381, id=705, vol=1.089399e+08
assign (segid " " and resid 29 and name HN) (segid " " and resid 15 and name HD1*) 3.764 1.955 1.955 weight 1.000 ! spec=NNOE , no=381, id=705, vol=1.089399e+08
assign (segid " " and resid 4 and name HN) (segid " " and resid 69 and name HN) 3.770 1.178 1.178 weight 1.000 ! spec=NNOE , no=388, id=679, vol=5.802793e+07
assign (segid " " and resid 69 and name HN) (segid " " and resid 4 and name HN) 3.770 1.178 1.178 weight 1.000 ! spec=NNOE , no=389, id=679, vol=5.802793e+07
assign (segid " " and resid 6 and name HN) (segid " " and resid 71 and name HN) 3.770 1.178 1.178 weight 1.000 ! spec=NNOE , no=390, id=679, vol=5.802793e+07
assign (segid " " and resid 5 and name HN) (segid " " and resid 4 and name HA) 2.570 0.478 0.478 weight 1.000 ! spec=NNOE , no=391, id=679, vol=5.802793e+07
assign (segid " " and resid 5 and name HN) (segid " " and resid 4 and name HB2) 3.270 1.178 1.178 weight 1.000 ! spec=NNOE , no=392, id=679, vol=5.802793e+07
assign (segid " " and resid 5 and name HN) (segid " " and resid 5 and name HB) 3.270 1.178 1.178 weight 1.000 ! spec=NNOE , no=394, id=679, vol=5.802793e+07
assign (segid " " and resid 5 and name HN) (segid " " and resid 12 and name HG2*) 2.870 1.178 1.178 weight 1.000 ! spec=NNOE , no=395, id=679, vol=5.802793e+07
assign (segid " " and resid 5 and name HN) (segid " " and resid 5 and name HG2*) 3.270 1.178 1.178 weight 1.000 ! spec=NNOE , no=396, id=679, vol=5.802793e+07
assign (segid " " and resid 5 and name HN) (segid " " and resid 5 and name HA) 3.270 1.178 1.178 weight 1.000 ! spec=NNOE , no=397, id=679, vol=5.802793e+07
assign (segid " " and resid 13 and name HN) (segid " " and resid 5 and name HB) 3.270 0.978 0.978 weight 1.000 ! spec=NNOE , no=398, id=679, vol=5.802793e+07
assign (segid " " and resid 30 and name HN) (segid " " and resid 30 and name HG11) 3.270 0.978 0.978 weight 1.000 ! spec=NNOE , no=399, id=679, vol=5.802793e+07
assign (segid " " and resid 30 and name HN) (segid " " and resid 15 and name HD1*) 3.270 0.978 0.978 weight 1.000 ! spec=NNOE , no=400, id=679, vol=5.802793e+07
assign (segid " " and resid 27 and name HN) (segid " " and resid 43 and name HD1*) 3.870 0.978 0.978 weight 1.000 ! spec=NNOE , no=401, id=679, vol=5.802793e+07
assign (segid " " and resid 41 and name HN) (segid " " and resid 40 and name HA) 3.270 0.578 0.578 weight 1.000 ! spec=NNOE , no=403, id=679, vol=5.802793e+07
assign (segid " " and resid 15 and name HN) (segid " " and resid 3 and name HG11) 3.570 0.878 0.878 weight 1.000 ! spec=NNOE , no=410, id=679, vol=5.802793e+07
assign (segid " " and resid 31 and name HN) (segid " " and resid 31 and name HA) 2.870 0.800 0.800 weight 1.000 ! spec=NNOE , no=410, id=679, vol=5.802793e+07
assign (segid " " and resid 42 and name HN) (segid " " and resid 72 and name HN) 3.270 0.800 0.800 weight 1.000 ! spec=NNOE , no=418, id=679, vol=5.802793e+07
assign (segid " " and resid 45 and name HN) (segid " " and resid 45 and name HD*) 3.270 0.800 0.800 weight 1.000 ! spec=NNOE , no=420, id=679, vol=5.802793e+07
assign (segid " " and resid 70 and name HN) (segid " " and resid 44 and name HN) 3.270 0.800 0.800 weight 1.000 ! spec=NNOE , no=423, id=679, vol=5.802793e+07
assign (segid " " and resid 74 and name HN) (segid " " and resid 73 and name HB1) 3.870 0.800 0.800 weight 1.000 ! spec=NNOE , no=426, id=679, vol=5.802793e+07
assign (segid " " and resid 74 and name HN) (segid " " and resid 73 and name HD1*) 3.870 0.800 0.800 weight 1.000 ! spec=NNOE , no=427, id=679, vol=5.802793e+07
assign (segid " " and resid 61 and name HB) (segid " " and resid 61 and name HN) 2.708 0.916 0.916 weight 1.000 ! spec=NNOE , no=431, id=651, vol=1.232972e+08
assign (segid " " and resid 4 and name HN) (segid " " and resid 69 and name HB1) 4.085 1.189 1.189 weight 1.000 ! relax by 1 A, spec=NNOE , no=434, id=685, vol=5.641066e+07
assign (segid " " and resid 6 and name HN) (segid " " and resid 70 and name HG2*) 3.085 1.189 1.189 weight 1.000 ! spec=NNOE , no=435, id=685, vol=5.641066e+07
assign (segid " " and resid 5 and name HG2*) (segid " " and resid 4 and name HA) 2.847 1.013 1.013 weight 1.000 ! spec=CNOE , no=139, id=39, vol=5.458085e+07
assign (segid " " and resid 4 and name HB*) (segid " " and resid 4 and name HA) 2.996 1.122 1.122 weight 1.000 ! spec=CNOE , no=515, id=206, vol=4.019617e+07
assign (segid " " and resid 45 and name HB2) (segid " " and resid 45 and name HA) 2.942 1.082 1.082 weight 1.000 ! spec=CNOE , no=583, id=227, vol=4.482875e+07
assign (segid " " and resid 40 and name HA) (segid " " and resid 40 and name HG2) 2.083 0.542 0.542 weight 1.000 ! spec=CNOE , no=700, id=282, vol=3.559433e+08
assign (segid " " and resid 33 and name HA) (segid " " and resid 33 and name HN) 2.505 0.784 0.784 weight 1.000 ! spec=CNOE , no=713, id=288, vol=1.177494e+08
assign (segid " " and resid 5 and name HA) (segid " " and resid 5 and name HG2*) 2.331 0.679 0.679 weight 1.000 ! spec=CNOE , no=755, id=316, vol=1.814831e+08
assign (segid " " and resid 17 and name HA) (segid " " and resid 17 and name HG2*) 2.878 0.648 0.648 weight 1.000 ! spec=CNOE , no=757, id=318, vol=2.082775e+08
assign (segid " " and resid 30 and name HG2*) (segid " " and resid 30 and name HA) 2.868 0.534 0.534 weight 1.000 ! spec=CNOE , no=808, id=335, vol=3.720702e+08
assign (segid " " and resid 6 and name HA) (segid " " and resid 12 and name HG2*) 3.023 1.143 1.143 weight 1.000 ! spec=CNOE , no=915, id=372, vol=3.807286e+07
assign (segid " " and resid 51 and name HA) (segid " " and resid 52 and name HN) 2.811 0.611 0.611 weight 1.000 ! spec=CNOE , no=928, id=380, vol=2.487870e+08
assign (segid " " and resid 13 and name HN) (segid " " and resid 13 and name HD1*) 3.837 1.006 1.006 weight 1.000 ! spec=NNOE , no=53, id=444, vol=9.325395e+07
assign (segid " " and resid 23 and name HN) (segid " " and resid 22 and name HG2*) 2.995 1.121 1.121 weight 1.000 ! spec=NNOE , no=108, id=488, vol=6.730172e+07
assign (segid " " and resid 26 and name HN) (segid " " and resid 26 and name HG2*) 2.772 0.960 0.960 weight 1.000 ! spec=NNOE , no=130, id=503, vol=1.070939e+08
assign (segid " " and resid 27 and name HN) (segid " " and resid 26 and name HN) 2.517 0.792 0.792 weight 1.000 ! spec=NNOE , no=131, id=504, vol=1.909244e+08
or (segid " " and resid 27 and name HN) (segid " " and resid 28 and name HN)
assign (segid " " and resid 43 and name HN) (segid " " and resid 43 and name HD1*) 3.374 1.423 1.423 weight 1.000 ! spec=NNOE , no=232, id=583, vol=3.292041e+07
assign (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HD1*) 3.500 1.200 1.200 weight 1.000 ! spec=NNOE , no=238, id=589, vol=7.890514e+07
assign (segid " " and resid 68 and name HB*) (segid " " and resid 68 and name HN) 3.004 1.128 1.128 weight 1.000 ! spec=NNOE , no=348, id=678, vol=6.610592e+07
assign (segid " " and resid 70 and name HN) (segid " " and resid 70 and name HG2*) 3.032 1.149 1.149 weight 1.000 ! spec=NNOE , no=364, id=691, vol=6.257403e+07
assign (segid " " and resid 71 and name HN) (segid " " and resid 70 and name HG2*) 2.746 0.943 0.943 weight 1.000 ! spec=NNOE , no=373, id=700, vol=1.132461e+08
assign (segid " " and resid 42 and name HN) (segid " " and resid 43 and name HA) 3.546 0.943 0.943 weight 1.000 ! spec=NNOE , no=386, id=700, vol=1.132461e+08
assign (segid " " and resid 36 and name HB) (segid " " and resid 36 and name HN) 2.833 0.623 0.623 weight 1.000 ! spec=CNOE , no=1, id=4, vol=1.979747e+08
assign (segid " " and resid 36 and name HB) (segid " " and resid 36 and name HA) 2.833 0.623 0.623 weight 1.000 ! spec=CNOE , no=2, id=4, vol=1.979747e+08
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