NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
616338 |
5lo4   |
34033 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 1: unambig_V50WwTK.tbl
assign ( resid 1 and name HB1) ( resid 1 and name HA) 2.427 0.736 0.736 weight 1.000 ! spec=Expt_16, no=3, id=703, vol=2.575259e+07
assign ( resid 1 and name HD1) ( resid 1 and name HG2) 3.158 1.247 1.247 weight 1.000 ! spec=Expt_16, no=4, id=704, vol=1.868819e+07
assign ( resid 7 and name HA) ( resid 8 and name HD1) 2.263 0.640 0.640 weight 1.000 ! spec=Expt_16, no=19, id=715, vol=3.177661e+07
assign ( resid 5 and name HD2) ( resid 4 and name HA) 2.499 0.781 0.781 weight 1.000 ! spec=Expt_16, no=21, id=717, vol=1.572856e+07
assign ( resid 34 and name HB2) ( resid 34 and name HA) 2.609 0.851 0.851 weight 1.000 ! spec=Expt_16, no=28, id=723, vol=1.941592e+07
assign ( resid 1 and name HA) ( resid 2 and name HD2) 2.374 0.704 0.704 weight 1.000 ! spec=Expt_16, no=36, id=725, vol=2.772030e+07
assign ( resid 28 and name HG1) ( resid 28 and name HA) 2.951 1.089 1.089 weight 1.000 ! spec=Expt_16, no=40, id=727, vol=8.962163e+06
assign ( resid 31 and name HA) ( resid 34 and name HB1) 3.017 1.138 1.138 weight 1.000 ! spec=Expt_16, no=65, id=747, vol=8.750502e+06
assign ( resid 6 and name HA) ( resid 6 and name HG22) 2.058 0.529 0.529 weight 1.000 ! spec=Expt_16, no=91, id=763, vol=5.891882e+07
or ( resid 6 and name HA) ( resid 6 and name HG21)
or ( resid 6 and name HA) ( resid 6 and name HG23)
assign ( resid 6 and name HB) ( resid 6 and name HG22) 1.951 0.476 0.476 weight 1.000 ! spec=Expt_16, no=92, id=764, vol=7.134292e+07
or ( resid 6 and name HB) ( resid 6 and name HG21)
or ( resid 6 and name HB) ( resid 6 and name HG23)
assign ( resid 3 and name HB) ( resid 3 and name HG23) 1.980 0.490 0.490 weight 1.000 ! spec=Expt_16, no=94, id=766, vol=6.549973e+07
or ( resid 3 and name HB) ( resid 3 and name HG22)
or ( resid 3 and name HB) ( resid 3 and name HG21)
assign ( resid 17 and name HA) ( resid 17 and name HD21) 3.094 1.197 1.197 weight 1.000 ! spec=Expt_16, no=96, id=768, vol=1.832170e+07
or ( resid 17 and name HA) ( resid 17 and name HD23)
or ( resid 17 and name HA) ( resid 17 and name HD22)
assign ( resid 17 and name HA) ( resid 17 and name HD13) 2.083 0.542 0.542 weight 1.000 ! spec=Expt_16, no=97, id=769, vol=5.076728e+07
or ( resid 17 and name HA) ( resid 17 and name HD12)
or ( resid 17 and name HA) ( resid 17 and name HD11)
assign ( resid 31 and name HD12) ( resid 31 and name HA) 3.355 0.949 0.949 weight 1.000 ! spec=Expt_16, no=98, id=770, vol=1.393420e+07
or ( resid 31 and name HD11) ( resid 31 and name HA)
or ( resid 31 and name HD13) ( resid 31 and name HA)
assign ( resid 24 and name HA) ( resid 24 and name HD12) 2.104 0.554 0.554 weight 1.000 ! spec=Expt_16, no=105, id=772, vol=4.311644e+07
or ( resid 24 and name HA) ( resid 24 and name HD13)
or ( resid 24 and name HA) ( resid 24 and name HD11)
assign ( resid 24 and name HD21) ( resid 21 and name HA) 2.915 1.062 1.062 weight 1.000 ! spec=Expt_16, no=106, id=773, vol=1.374846e+07
or ( resid 24 and name HD22) ( resid 21 and name HA)
or ( resid 24 and name HD23) ( resid 21 and name HA)
assign ( resid 31 and name HD22) ( resid 31 and name HA) 2.107 0.555 0.555 weight 1.000 ! spec=Expt_16, no=108, id=774, vol=3.982807e+07
or ( resid 31 and name HD21) ( resid 31 and name HA)
or ( resid 31 and name HD23) ( resid 31 and name HA)
assign ( resid 28 and name HA) ( resid 31 and name HD22) 3.249 1.319 1.319 weight 1.000 ! spec=Expt_16, no=109, id=775, vol=1.250956e+07
or ( resid 28 and name HA) ( resid 31 and name HD21)
or ( resid 28 and name HA) ( resid 31 and name HD23)
assign ( resid 30 and name HA) ( resid 33 and name HB1) 2.606 0.849 0.849 weight 1.000 ! spec=Expt_16, no=115, id=779, vol=3.440224e+07
assign ( resid 18 and name HA) ( resid 21 and name HG2) 2.921 1.067 1.067 weight 1.000 ! spec=Expt_16, no=117, id=781, vol=1.295398e+07
assign ( resid 34 and name HA) ( resid 0 and name HA1) 3.920 1.066 1.066 weight 1.000 ! spec=Expt_16, no=142, id=798, vol=1.322526e+07
or ( resid 34 and name HA) ( resid 0 and name HA2)
or ( resid 34 and name HA) ( resid 0 and name HA3)
assign ( resid 26 and name HB1) ( resid 26 and name HA) 2.986 1.115 1.115 weight 1.000 ! spec=Expt_16, no=146, id=802, vol=2.013402e+07
assign ( resid 8 and name HB1) ( resid 8 and name HA) 3.046 1.160 1.160 weight 1.000 ! spec=Expt_16, no=157, id=812, vol=1.520128e+07
assign ( resid 22 and name HB2) ( resid 22 and name HA) 1.869 0.437 0.437 weight 1.000 ! spec=Expt_16, no=177, id=816, vol=9.988494e+07
or ( resid 22 and name HB1) ( resid 22 and name HA)
or ( resid 22 and name HB3) ( resid 22 and name HA)
assign ( resid 18 and name HA) ( resid 18 and name HB2) 1.861 0.433 0.433 weight 1.000 ! spec=Expt_16, no=180, id=817, vol=9.570978e+07
or ( resid 18 and name HA) ( resid 18 and name HB1)
or ( resid 18 and name HA) ( resid 18 and name HB3)
assign ( resid 25 and name HA) ( resid 25 and name HB3) 2.050 0.525 0.525 weight 1.000 ! spec=Expt_16, no=181, id=818, vol=9.848733e+07
or ( resid 25 and name HA) ( resid 25 and name HB2)
or ( resid 25 and name HA) ( resid 25 and name HB1)
assign ( resid 32 and name HA) ( resid 32 and name HB3) 1.990 0.495 0.495 weight 1.000 ! spec=Expt_16, no=183, id=820, vol=1.208529e+08
or ( resid 32 and name HA) ( resid 32 and name HB2)
or ( resid 32 and name HA) ( resid 32 and name HB1)
assign ( resid 15 and name HG2) ( resid 15 and name HB1) 3.009 1.132 1.132 weight 1.000 ! spec=Expt_16, no=195, id=826, vol=2.110735e+07
assign ( resid 28 and name HG1) ( resid 28 and name HB2) 2.944 1.083 1.083 weight 1.000 ! spec=Expt_16, no=200, id=829, vol=9.928761e+06
assign ( resid 8 and name HD2) ( resid 8 and name HG1) 2.872 1.031 1.031 weight 1.000 ! spec=Expt_16, no=210, id=838, vol=2.182554e+07
assign ( resid 2 and name HG2) ( resid 2 and name HD1) 2.579 0.831 0.831 weight 1.000 ! spec=Expt_16, no=213, id=840, vol=1.204626e+07
assign ( resid 34 and name HB2) ( resid 2 and name HG2) 2.888 0.774 0.774 weight 1.000 ! spec=Expt_16, no=214, id=841, vol=2.157259e+07
assign ( resid 27 and name HB1) ( resid 24 and name HD12) 3.029 1.147 1.147 weight 1.000 ! spec=Expt_16, no=258, id=858, vol=6.985569e+06
or ( resid 27 and name HB1) ( resid 24 and name HD13)
or ( resid 27 and name HB1) ( resid 24 and name HD11)
assign ( resid 5 and name HD2) ( resid 24 and name HD12) 2.681 0.899 0.899 weight 1.000 ! spec=Expt_16, no=259, id=859, vol=8.759126e+06
or ( resid 5 and name HD2) ( resid 24 and name HD13)
or ( resid 5 and name HD2) ( resid 24 and name HD11)
assign ( resid 5 and name HD2) ( resid 4 and name HG1) 2.838 1.007 1.007 weight 1.000 ! spec=Expt_16, no=266, id=862, vol=8.604082e+06
assign ( resid 3 and name HA) ( resid 3 and name HG23) 2.159 0.583 0.583 weight 1.000 ! spec=Expt_16, no=269, id=864, vol=4.742548e+07
or ( resid 3 and name HA) ( resid 3 and name HG22)
or ( resid 3 and name HA) ( resid 3 and name HG21)
assign ( resid 14 and name HD2) ( resid 13 and name HG22) 3.343 1.397 1.397 weight 1.000 ! spec=Expt_16, no=275, id=868, vol=1.271608e+07
or ( resid 14 and name HD2) ( resid 13 and name HG21)
or ( resid 14 and name HD2) ( resid 13 and name HG23)
assign ( resid 17 and name HB2) ( resid 17 and name HD21) 2.860 0.639 0.639 weight 1.000 ! spec=Expt_16, no=280, id=871, vol=2.498644e+07
or ( resid 17 and name HB2) ( resid 17 and name HD23)
or ( resid 17 and name HB2) ( resid 17 and name HD22)
assign ( resid 17 and name HB2) ( resid 17 and name HD13) 3.022 1.141 1.141 weight 1.000 ! spec=Expt_16, no=281, id=872, vol=1.613853e+07
or ( resid 17 and name HB2) ( resid 17 and name HD12)
or ( resid 17 and name HB2) ( resid 17 and name HD11)
assign ( resid 4 and name HG2) ( resid 27 and name H33A) 2.578 0.831 0.831 weight 1.000 ! spec=Expt_16, no=283, id=873, vol=2.158429e+07
or ( resid 4 and name HG2) ( resid 27 and name H33B)
or ( resid 4 and name HG2) ( resid 27 and name H33)
assign ( resid 31 and name HD22) ( resid 31 and name HB2) 2.708 0.917 0.917 weight 1.000 ! spec=Expt_16, no=297, id=881, vol=3.073691e+07
or ( resid 31 and name HD21) ( resid 31 and name HB2)
or ( resid 31 and name HD23) ( resid 31 and name HB2)
assign ( resid 31 and name HD22) ( resid 31 and name HB1) 2.004 0.502 0.502 weight 1.000 ! spec=Expt_16, no=302, id=884, vol=4.937368e+07
or ( resid 31 and name HD21) ( resid 31 and name HB1)
or ( resid 31 and name HD23) ( resid 31 and name HB1)
assign ( resid 31 and name HD22) ( resid 31 and name HD12) 1.826 0.417 0.417 weight 1.000 ! spec=Expt_16, no=306, id=887, vol=2.242612e+07
or ( resid 31 and name HD22) ( resid 31 and name HD11)
or ( resid 31 and name HD22) ( resid 31 and name HD13)
or ( resid 31 and name HD21) ( resid 31 and name HD12)
or ( resid 31 and name HD21) ( resid 31 and name HD11)
or ( resid 31 and name HD21) ( resid 31 and name HD13)
or ( resid 31 and name HD23) ( resid 31 and name HD12)
or ( resid 31 and name HD23) ( resid 31 and name HD11)
or ( resid 31 and name HD23) ( resid 31 and name HD13)
assign ( resid 31 and name HD12) ( resid 31 and name HB2) 2.310 0.667 0.667 weight 1.000 ! spec=Expt_16, no=312, id=890, vol=2.352739e+07
or ( resid 31 and name HD11) ( resid 31 and name HB2)
or ( resid 31 and name HD13) ( resid 31 and name HB2)
assign ( resid 24 and name HB1) ( resid 24 and name HB2) 2.108 0.556 0.556 weight 1.000 ! spec=Expt_16, no=317, id=893, vol=3.080303e+07
assign ( resid 5 and name HG2) ( resid 4 and name HG1) 3.311 0.988 0.988 weight 1.000 ! spec=Expt_16, no=334, id=901, vol=1.256993e+07
assign ( resid 17 and name HB1) ( resid 17 and name HD21) 2.878 0.540 0.540 weight 1.000 ! spec=Expt_16, no=335, id=902, vol=5.936763e+07
or ( resid 17 and name HB1) ( resid 17 and name HD23)
or ( resid 17 and name HB1) ( resid 17 and name HD22)
assign ( resid 17 and name HB1) ( resid 17 and name HD13) 2.217 0.459 0.459 weight 1.000 ! spec=Expt_16, no=336, id=903, vol=5.332939e+07
or ( resid 17 and name HB1) ( resid 17 and name HD12)
or ( resid 17 and name HB1) ( resid 17 and name HD11)
assign ( resid 8 and name HB1) ( resid 12 and name HB2) 2.301 0.662 0.662 weight 1.000 ! spec=Expt_16, no=339, id=906, vol=2.741593e+07
or ( resid 8 and name HB1) ( resid 12 and name HB1)
or ( resid 8 and name HB1) ( resid 12 and name HB3)
assign ( resid 28 and name HB2) ( resid 28 and name HB1) 2.124 0.564 0.564 weight 1.000 ! spec=Expt_16, no=343, id=910, vol=3.522812e+07
assign ( resid 0 and name HA1) ( resid 1 and name HD1) 2.889 0.694 0.694 weight 1.000 ! spec=Expt_16, no=351, id=918, vol=5.235071e+07
or ( resid 0 and name HA2) ( resid 1 and name HD1)
or ( resid 0 and name HA3) ( resid 1 and name HD1)
assign ( resid 0 and name HA1) ( resid 1 and name HD2) 2.873 0.637 0.8537 weight 1.000 ! spec=Expt_16, no=352, id=919, vol=3.951150e+07
or ( resid 0 and name HA2) ( resid 1 and name HD2)
or ( resid 0 and name HA3) ( resid 1 and name HD2)
assign ( resid 1 and name HD2) ( resid 1 and name HG2) 2.648 0.877 0.877 weight 1.000 ! spec=Expt_16, no=355, id=922, vol=2.023480e+07
assign ( resid 7 and name HA) ( resid 20 and name H33A) 3.090 0.714 0.714 weight 1.000 ! spec=Expt_16, no=356, id=923, vol=1.337495e+07
or ( resid 7 and name HA) ( resid 20 and name H33)
or ( resid 7 and name HA) ( resid 20 and name H33B)
assign ( resid 20 and name H33A) ( resid 8 and name HD1) 3.011 0.852 0.852 weight 1.000 ! spec=Expt_16, no=358, id=925, vol=2.033697e+07
or ( resid 20 and name H33) ( resid 8 and name HD1)
or ( resid 20 and name H33B) ( resid 8 and name HD1)
assign ( resid 24 and name HB2) ( resid 21 and name HA) 3.928 1.928 1.928 weight 1.000 ! spec=Expt_16, no=374, id=941, vol=6.645045e+06
assign ( resid 5 and name HD2) ( resid 5 and name HG2) 2.176 0.592 0.592 weight 1.000 ! spec=Expt_16, no=379, id=946, vol=3.435141e+07
assign ( resid 14 and name HD1) ( resid 13 and name HG22) 3.479 1.513 1.513 weight 1.000 ! spec=Expt_16, no=392, id=957, vol=1.183162e+07
or ( resid 14 and name HD1) ( resid 13 and name HG21)
or ( resid 14 and name HD1) ( resid 13 and name HG23)
assign ( resid 13 and name HA) ( resid 14 and name HD2) 2.047 0.524 0.524 weight 1.000 ! spec=Expt_16, no=398, id=963, vol=5.067268e+07
assign ( resid 10 and name HA) ( resid 10 and name HB1) 2.545 0.810 0.810 weight 1.000 ! spec=Expt_16, no=403, id=968, vol=3.412014e+07
assign ( resid 10 and name HA) ( resid 10 and name HB2) 3.105 1.205 1.205 weight 1.000 ! spec=Expt_16, no=405, id=969, vol=1.904119e+07
assign ( resid 2 and name HB1) ( resid 2 and name HA) 3.100 1.201 1.201 weight 1.000 ! spec=Expt_16, no=428, id=979, vol=1.111632e+07
assign ( resid 13 and name HG22) ( resid 13 and name HB) 2.030 0.515 0.515 weight 1.000 ! spec=Expt_16, no=433, id=983, vol=4.339851e+07
or ( resid 13 and name HG21) ( resid 13 and name HB)
or ( resid 13 and name HG23) ( resid 13 and name HB)
assign ( resid 13 and name HA) ( resid 13 and name HG22) 2.033 0.517 0.517 weight 1.000 ! spec=Expt_16, no=434, id=984, vol=5.597702e+07
or ( resid 13 and name HA) ( resid 13 and name HG21)
or ( resid 13 and name HA) ( resid 13 and name HG23)
assign ( resid 12 and name HA) ( resid 12 and name HB2) 1.910 0.456 0.456 weight 1.000 ! spec=Expt_16, no=441, id=991, vol=4.932061e+07
or ( resid 12 and name HA) ( resid 12 and name HB1)
or ( resid 12 and name HA) ( resid 12 and name HB3)
assign ( resid 14 and name HD1) ( resid 14 and name HG2) 2.687 0.902 0.902 weight 1.000 ! spec=Expt_16, no=454, id=1002, vol=1.447758e+07
assign ( resid 26 and name HN) ( resid 25 and name HN) 2.679 0.897 0.897 weight 1.000 ! spec=Expt_16, no=467, id=1015, vol=1.939016e+07
assign ( resid 16 and name HN) ( resid 17 and name HN) 2.504 0.784 0.784 weight 1.000 ! spec=Expt_16, no=477, id=1024, vol=2.254821e+07
assign ( resid 24 and name HN) ( resid 23 and name HN) 2.883 1.039 1.039 weight 1.000 ! spec=Expt_16, no=486, id=1033, vol=1.355556e+07
assign ( resid 28 and name HE21) ( resid 28 and name HE22) 1.562 0.305 0.305 weight 1.000 ! spec=Expt_16, no=492, id=1039, vol=2.169702e+08
assign ( resid 21 and name HE22) ( resid 21 and name HE21) 1.544 0.298 0.298 weight 1.000 ! spec=Expt_16, no=494, id=1041, vol=2.087050e+08
assign ( resid 11 and name HD22) ( resid 11 and name HD21) 1.597 0.319 0.319 weight 1.000 ! spec=Expt_16, no=495, id=1042, vol=1.876932e+08
assign ( resid 33 and name HA) ( resid 34 and name HN) 3.386 1.433 1.433 weight 1.000 ! spec=Expt_16, no=524, id=1068, vol=1.009894e+07
assign ( resid 3 and name HA) ( resid 27 and name HE2) 3.328 1.146 1.146 weight 1.000 ! spec=Expt_16, no=529, id=1073, vol=1.226302e+07
or ( resid 3 and name HA) ( resid 27 and name HE1)
assign ( resid 12 and name HN) ( resid 12 and name HA) 2.659 0.884 0.884 weight 1.000 ! spec=Expt_16, no=538, id=1076, vol=1.943525e+07
assign ( resid 21 and name HN) ( resid 18 and name HA) 3.028 1.146 1.146 weight 1.000 ! spec=Expt_16, no=539, id=1077, vol=1.260631e+07
assign ( resid 34 and name HD1) ( resid 34 and name HA) 2.567 0.824 0.824 weight 1.000 ! spec=Expt_16, no=547, id=1083, vol=2.785378e+07
assign ( resid 20 and name HN) ( resid 17 and name HA) 3.028 1.146 1.146 weight 1.000 ! spec=Expt_16, no=557, id=1091, vol=1.125069e+07
assign ( resid 32 and name HA) ( resid 33 and name HN) 3.214 1.291 1.291 weight 1.000 ! spec=Expt_16, no=564, id=1097, vol=1.020815e+07
assign ( resid 27 and name HD1) ( resid 24 and name HA) 3.674 1.687 1.687 weight 1.000 ! spec=Expt_16, no=575, id=1107, vol=7.182219e+06
assign ( resid 20 and name HD2) ( resid 21 and name HA) 4.093 2.094 2.094 weight 1.000 ! spec=Expt_16, no=585, id=1115, vol=6.483596e+06
assign ( resid 24 and name HN) ( resid 21 and name HA) 3.428 1.469 1.469 weight 1.000 ! spec=Expt_16, no=586, id=1116, vol=7.626473e+06
assign ( resid 20 and name HD2) ( resid 20 and name HB1) 2.259 0.638 0.638 weight 1.000 ! spec=Expt_16, no=602, id=1130, vol=4.392434e+07
assign ( resid 21 and name HN) ( resid 21 and name HG2) 2.309 0.667 0.667 weight 1.000 ! spec=Expt_16, no=647, id=1164, vol=3.022458e+07
assign ( resid 6 and name HN) ( resid 5 and name HB2) 3.168 1.255 1.255 weight 1.000 ! spec=Expt_16, no=667, id=1172, vol=9.910376e+06
assign ( resid 3 and name HN) ( resid 2 and name HB2) 4.179 2.183 2.183 weight 1.000 ! spec=Expt_16, no=669, id=1173, vol=7.023290e+06
assign ( resid 7 and name HN) ( resid 20 and name H33A) 3.211 1.289 1.289 weight 1.000 ! spec=Expt_16, no=674, id=1177, vol=1.064821e+07
or ( resid 7 and name HN) ( resid 20 and name H33)
or ( resid 7 and name HN) ( resid 20 and name H33B)
assign ( resid 22 and name HN) ( resid 21 and name HB2) 3.205 1.284 1.284 weight 1.000 ! spec=Expt_16, no=681, id=1182, vol=1.010607e+07
assign ( resid 9 and name HN) ( resid 8 and name HB2) 3.560 1.584 1.584 weight 1.000 ! spec=Expt_16, no=685, id=1186, vol=8.938334e+06
assign ( resid 27 and name HD2) ( resid 2 and name HB1) 2.562 0.820 0.820 weight 1.000 ! spec=Expt_16, no=691, id=1190, vol=1.893451e+07
assign ( resid 27 and name HE1) ( resid 2 and name HB1) 3.377 0.964 0.964 weight 1.000 ! spec=Expt_16, no=692, id=1191, vol=1.469448e+07
or ( resid 27 and name HE2) ( resid 2 and name HB1)
assign ( resid 3 and name HN) ( resid 2 and name HB1) 3.580 1.602 1.602 weight 1.000 ! spec=Expt_16, no=693, id=1192, vol=6.131418e+06
assign ( resid 34 and name HD1) ( resid 0 and name HA1) 2.552 0.814 0.814 weight 1.000 ! spec=Expt_16, no=695, id=1194, vol=2.271683e+07
or ( resid 34 and name HD1) ( resid 0 and name HA2)
or ( resid 34 and name HD1) ( resid 0 and name HA3)
or ( resid 34 and name HD2) ( resid 0 and name HA1)
or ( resid 34 and name HD2) ( resid 0 and name HA3)
or ( resid 34 and name HD2) ( resid 0 and name HA2)
assign ( resid 20 and name HN) ( resid 19 and name HB1) 3.340 1.394 1.394 weight 1.000 ! spec=Expt_16, no=706, id=1202, vol=1.159520e+07
assign ( resid 16 and name HN) ( resid 15 and name HB1) 2.880 1.036 1.036 weight 1.000 ! spec=Expt_16, no=716, id=1208, vol=8.590217e+06
assign ( resid 13 and name HN) ( resid 16 and name HB2) 5.068 1.068 1.068 weight 1.000 ! spec=Expt_16, no=730, id=1216, vol=7.690046e+06
assign ( resid 17 and name HB1) ( resid 17 and name HN) 2.872 0.645 0.645 weight 1.000 ! spec=Expt_16, no=744, id=1219, vol=3.685825e+07
assign ( resid 22 and name HB2) ( resid 23 and name HN) 2.363 0.698 0.698 weight 1.000 ! spec=Expt_16, no=752, id=1222, vol=3.692033e+07
or ( resid 22 and name HB1) ( resid 23 and name HN)
or ( resid 22 and name HB3) ( resid 23 and name HN)
assign ( resid 22 and name HN) ( resid 22 and name HB2) 2.024 0.512 0.512 weight 1.000 ! spec=Expt_16, no=754, id=1224, vol=7.183960e+07
or ( resid 22 and name HN) ( resid 22 and name HB1)
or ( resid 22 and name HN) ( resid 22 and name HB3)
assign ( resid 25 and name HB3) ( resid 25 and name HN) 2.044 0.522 0.522 weight 1.000 ! spec=Expt_16, no=769, id=1229, vol=6.775077e+07
or ( resid 25 and name HB2) ( resid 25 and name HN)
or ( resid 25 and name HB1) ( resid 25 and name HN)
assign ( resid 18 and name HB2) ( resid 18 and name HN) 2.055 0.528 0.528 weight 1.000 ! spec=Expt_16, no=774, id=1233, vol=6.882647e+07
or ( resid 18 and name HB1) ( resid 18 and name HN)
or ( resid 18 and name HB3) ( resid 18 and name HN)
assign ( resid 32 and name HB3) ( resid 32 and name HN) 1.952 0.476 0.476 weight 1.000 ! spec=Expt_16, no=777, id=1234, vol=7.165799e+07
or ( resid 32 and name HB2) ( resid 32 and name HN)
or ( resid 32 and name HB1) ( resid 32 and name HN)
assign ( resid 32 and name HB3) ( resid 33 and name HN) 2.579 0.832 0.832 weight 1.000 ! spec=Expt_16, no=779, id=1235, vol=2.518193e+07
or ( resid 32 and name HB2) ( resid 33 and name HN)
or ( resid 32 and name HB1) ( resid 33 and name HN)
assign ( resid 13 and name HN) ( resid 13 and name HG22) 2.076 0.539 0.539 weight 1.000 ! spec=Expt_16, no=785, id=1237, vol=5.510879e+07
or ( resid 13 and name HN) ( resid 13 and name HG21)
or ( resid 13 and name HN) ( resid 13 and name HG23)
assign ( resid 12 and name HN) ( resid 12 and name HB2) 2.002 0.501 0.501 weight 1.000 ! spec=Expt_16, no=789, id=1240, vol=6.324662e+07
or ( resid 12 and name HN) ( resid 12 and name HB1)
or ( resid 12 and name HN) ( resid 12 and name HB3)
assign ( resid 12 and name HB2) ( resid 9 and name HN) 3.082 1.188 1.188 weight 1.000 ! spec=Expt_16, no=790, id=1241, vol=1.109333e+07
or ( resid 12 and name HB1) ( resid 9 and name HN)
or ( resid 12 and name HB3) ( resid 9 and name HN)
assign ( resid 13 and name HN) ( resid 12 and name HB2) 2.883 0.834 0.834 weight 1.000 ! spec=Expt_16, no=791, id=1242, vol=3.135842e+07
or ( resid 13 and name HN) ( resid 12 and name HB1)
or ( resid 13 and name HN) ( resid 12 and name HB3)
assign ( resid 6 and name HN) ( resid 6 and name HG22) 2.915 1.062 1.062 weight 1.000 ! spec=Expt_16, no=797, id=1243, vol=1.585765e+07
or ( resid 6 and name HN) ( resid 6 and name HG21)
or ( resid 6 and name HN) ( resid 6 and name HG23)
assign ( resid 7 and name HN) ( resid 6 and name HG22) 2.812 0.727 0.727 weight 1.000 ! spec=Expt_16, no=798, id=1244, vol=2.772659e+07
or ( resid 7 and name HN) ( resid 6 and name HG21)
or ( resid 7 and name HN) ( resid 6 and name HG23)
assign ( resid 32 and name HN) ( resid 31 and name HD12) 3.712 1.722 1.722 weight 1.000 ! spec=Expt_16, no=805, id=1247, vol=6.131233e+06
or ( resid 32 and name HN) ( resid 31 and name HD11)
or ( resid 32 and name HN) ( resid 31 and name HD13)
assign ( resid 17 and name HN) ( resid 17 and name HD21) 3.459 1.495 1.495 weight 1.000 ! spec=Expt_16, no=809, id=1251, vol=1.556695e+07
or ( resid 17 and name HN) ( resid 17 and name HD23)
or ( resid 17 and name HN) ( resid 17 and name HD22)
assign ( resid 20 and name HD2) ( resid 17 and name HD21) 4.071 1.421 1.421 weight 1.000 ! spec=Expt_16, no=810, id=1252, vol=6.827160e+06
or ( resid 20 and name HD2) ( resid 17 and name HD23)
or ( resid 20 and name HD2) ( resid 17 and name HD22)
or ( resid 20 and name HD1) ( resid 17 and name HD22)
or ( resid 20 and name HD1) ( resid 17 and name HD21)
or ( resid 20 and name HD1) ( resid 17 and name HD23)
assign ( resid 17 and name HN) ( resid 17 and name HD13) 3.234 1.307 1.307 weight 1.000 ! spec=Expt_16, no=811, id=1253, vol=1.479084e+07
or ( resid 17 and name HN) ( resid 17 and name HD12)
or ( resid 17 and name HN) ( resid 17 and name HD11)
assign ( resid 12 and name HN) ( resid 17 and name HD13) 3.813 1.817 1.817 weight 1.000 ! spec=Expt_16, no=812, id=1254, vol=5.894036e+06
or ( resid 12 and name HN) ( resid 17 and name HD12)
or ( resid 12 and name HN) ( resid 17 and name HD11)
assign ( resid 20 and name HD2) ( resid 17 and name HD13) 2.995 1.121 1.121 weight 1.000 ! spec=Expt_16, no=813, id=1255, vol=8.946010e+06
or ( resid 20 and name HD2) ( resid 17 and name HD12)
or ( resid 20 and name HD2) ( resid 17 and name HD11)
or ( resid 20 and name HD1) ( resid 17 and name HD11)
or ( resid 20 and name HD1) ( resid 17 and name HD12)
or ( resid 20 and name HD1) ( resid 17 and name HD13)
assign ( resid 20 and name HE2) ( resid 24 and name HD21) 2.347 0.689 0.689 weight 1.000 ! spec=Expt_16, no=814, id=1256, vol=2.936656e+07
or ( resid 20 and name HE2) ( resid 24 and name HD22)
or ( resid 20 and name HE2) ( resid 24 and name HD23)
assign ( resid 28 and name HE21) ( resid 24 and name HD21) 3.451 1.489 1.489 weight 1.000 ! spec=Expt_16, no=817, id=1259, vol=1.147931e+07
or ( resid 28 and name HE21) ( resid 24 and name HD22)
or ( resid 28 and name HE21) ( resid 24 and name HD23)
assign ( resid 24 and name HD12) ( resid 27 and name HD1) 2.160 0.583 0.583 weight 1.000 ! spec=Expt_16, no=820, id=1261, vol=4.187280e+07
or ( resid 24 and name HD13) ( resid 27 and name HD1)
or ( resid 24 and name HD11) ( resid 27 and name HD1)
or ( resid 24 and name HD11) ( resid 27 and name HD2)
or ( resid 24 and name HD12) ( resid 27 and name HD2)
or ( resid 24 and name HD13) ( resid 27 and name HD2)
assign ( resid 34 and name HD2) ( resid 31 and name HD22) 3.347 0.876 0.876 weight 1.000 ! spec=Expt_16, no=822, id=1263, vol=1.501057e+07
or ( resid 34 and name HD2) ( resid 31 and name HD21)
or ( resid 34 and name HD2) ( resid 31 and name HD23)
or ( resid 34 and name HD1) ( resid 31 and name HD22)
or ( resid 34 and name HD1) ( resid 31 and name HD23)
or ( resid 34 and name HD1) ( resid 31 and name HD21)
assign ( resid 31 and name HD22) ( resid 31 and name HN) 3.348 1.401 1.401 weight 1.000 ! spec=Expt_16, no=824, id=1265, vol=1.153092e+07
or ( resid 31 and name HD21) ( resid 31 and name HN)
or ( resid 31 and name HD23) ( resid 31 and name HN)
assign ( resid 31 and name HD22) ( resid 32 and name HN) 3.914 1.915 1.915 weight 1.000 ! spec=Expt_16, no=825, id=1266, vol=7.138967e+06
or ( resid 31 and name HD21) ( resid 32 and name HN)
or ( resid 31 and name HD23) ( resid 32 and name HN)
assign ( resid 3 and name HG23) ( resid 4 and name HN) 2.325 0.675 0.675 weight 1.000 ! spec=Expt_16, no=837, id=1274, vol=2.986239e+07
or ( resid 3 and name HG22) ( resid 4 and name HN)
or ( resid 3 and name HG21) ( resid 4 and name HN)
assign ( resid 3 and name HG23) ( resid 3 and name HN) 3.556 1.581 1.581 weight 1.000 ! spec=Expt_16, no=838, id=1275, vol=9.597558e+06
or ( resid 3 and name HG22) ( resid 3 and name HN)
or ( resid 3 and name HG21) ( resid 3 and name HN)
assign ( resid 11 and name HB1) ( resid 11 and name HD22) 2.814 0.729 0.729 weight 1.000 ! spec=Expt_16, no=878, id=1305, vol=3.102639e+07
assign ( resid 21 and name HG2) ( resid 20 and name HD2) 3.681 1.694 1.694 weight 1.000 ! spec=Expt_16, no=896, id=1314, vol=8.609375e+06
assign ( resid 21 and name HE21) ( resid 21 and name HG2) 2.579 0.831 0.831 weight 1.000 ! spec=Expt_16, no=912, id=1321, vol=1.092453e+07
assign ( resid 15 and name HN) ( resid 15 and name HG1) 3.210 1.288 1.288 weight 1.000 ! spec=Expt_16, no=939, id=1337, vol=6.588985e+06
assign ( resid 4 and name HN) ( resid 27 and name H33A) 3.325 0.998 0.998 weight 1.000 ! spec=Expt_16, no=947, id=1343, vol=1.394350e+07
or ( resid 4 and name HN) ( resid 27 and name H33B)
or ( resid 4 and name HN) ( resid 27 and name H33)
assign ( resid 17 and name HB1) ( resid 18 and name HN) 3.424 1.466 1.466 weight 1.000 ! spec=Expt_16, no=962, id=1352, vol=1.418195e+07
assign ( resid 18 and name HB2) ( resid 17 and name HN) 3.432 1.473 1.473 weight 1.000 ! spec=Expt_16, no=966, id=1356, vol=1.031920e+07
or ( resid 18 and name HB1) ( resid 17 and name HN)
or ( resid 18 and name HB3) ( resid 17 and name HN)
assign ( resid 28 and name HN) ( resid 28 and name HG2) 2.738 0.937 0.937 weight 1.000 ! spec=Expt_16, no=971, id=1359, vol=1.144767e+07
assign ( resid 27 and name HE1) ( resid 24 and name HD12) 2.881 1.038 1.038 weight 1.000 ! spec=Expt_16, no=981, id=1367, vol=1.528867e+07
or ( resid 27 and name HE1) ( resid 24 and name HD13)
or ( resid 27 and name HE1) ( resid 24 and name HD11)
assign ( resid 29 and name HA) ( resid 30 and name HN) 3.428 1.469 1.469 weight 1.000 ! spec=Expt_16, no=990, id=1376, vol=8.263876e+06
assign ( resid 6 and name HB) ( resid 7 and name HN) 3.012 1.134 1.134 weight 1.000 ! spec=Expt_16, no=1000, id=1383, vol=1.804097e+07
assign ( resid 6 and name HA) ( resid 6 and name HN) 2.768 0.958 0.958 weight 1.000 ! spec=Expt_16, no=1003, id=1386, vol=1.930767e+07
assign ( resid 21 and name HA) ( resid 22 and name HN) 3.395 1.441 1.441 weight 1.000 ! spec=Expt_16, no=1030, id=1404, vol=7.744001e+06
assign ( resid 28 and name HG1) ( resid 28 and name HE21) 4.225 2.231 2.231 weight 1.000 ! spec=Expt_16, no=1062, id=1428, vol=6.340382e+06
assign ( resid 28 and name HA) ( resid 27 and name HD1) 3.589 1.610 1.610 weight 1.000 ! spec=Expt_16, no=1068, id=1434, vol=4.171741e+06
assign ( resid 15 and name HG1) ( resid 14 and name HD2) 4.304 2.315 2.315 weight 1.000 ! spec=Expt_16, no=1075, id=1441, vol=5.031421e+06
assign ( resid 15 and name HG1) ( resid 14 and name HD1) 3.324 1.143 1.143 weight 1.000 ! spec=Expt_16, no=1076, id=1442, vol=6.891633e+06
assign ( resid 5 and name HD1) ( resid 24 and name HD12) 3.794 1.800 1.800 weight 1.000 ! spec=Expt_16, no=1082, id=1448, vol=5.623809e+06
or ( resid 5 and name HD1) ( resid 24 and name HD13)
or ( resid 5 and name HD1) ( resid 24 and name HD11)
assign ( resid 4 and name HG2) ( resid 4 and name HG1) 2.583 0.834 0.834 weight 1.000 ! spec=Expt_16, no=1091, id=1453, vol=7.661301e+06
assign ( resid 28 and name HG2) ( resid 24 and name HD12) 3.343 1.397 1.397 weight 1.000 ! spec=Expt_16, no=1100, id=1460, vol=5.032744e+06
or ( resid 28 and name HG2) ( resid 24 and name HD13)
or ( resid 28 and name HG2) ( resid 24 and name HD11)
assign ( resid 8 and name HD2) ( resid 17 and name HD13) 3.543 1.569 1.569 weight 1.000 ! spec=Expt_16, no=1103, id=1463, vol=3.893300e+06
or ( resid 8 and name HD2) ( resid 17 and name HD12)
or ( resid 8 and name HD2) ( resid 17 and name HD11)
assign ( resid 20 and name HB2) ( resid 17 and name HD13) 3.651 1.666 1.666 weight 1.000 ! spec=Expt_16, no=1105, id=1465, vol=4.917172e+06
or ( resid 20 and name HB2) ( resid 17 and name HD12)
or ( resid 20 and name HB2) ( resid 17 and name HD11)
assign ( resid 5 and name HD1) ( resid 5 and name HG1) 3.019 1.139 1.139 weight 1.000 ! spec=Expt_16, no=1108, id=1467, vol=5.262286e+06
assign ( resid 7 and name HD1) ( resid 7 and name HA) 4.751 2.821 2.821 weight 1.000 ! spec=Expt_16, no=1112, id=1471, vol=3.997160e+06
assign ( resid 20 and name HB1) ( resid 17 and name HD13) 3.456 1.493 1.493 weight 1.000 ! spec=Expt_16, no=1117, id=1475, vol=4.531281e+06
or ( resid 20 and name HB1) ( resid 17 and name HD12)
or ( resid 20 and name HB1) ( resid 17 and name HD11)
assign ( resid 30 and name HA) ( resid 33 and name HN) 3.523 1.552 1.552 weight 1.000 ! spec=Expt_16, no=1120, id=1478, vol=5.665490e+06
assign ( resid 30 and name HN) ( resid 32 and name HN) 4.485 2.514 2.514 weight 1.000 ! spec=Expt_16, no=1123, id=1481, vol=2.679504e+06
assign ( resid 21 and name HE22) ( resid 20 and name HD2) 3.923 1.923 1.923 weight 1.000 ! spec=Expt_16, no=1124, id=1482, vol=6.988865e+06
assign ( resid 20 and name HE1) ( resid 5 and name HG2) 3.192 1.273 1.273 weight 1.000 ! spec=Expt_16, no=1130, id=1487, vol=8.767860e+06
assign ( resid 29 and name HN) ( resid 29 and name HB1) 2.478 0.768 0.768 weight 1.000 ! spec=Expt_6, no=11, id=8, vol=1.674222e+07
assign ( resid 29 and name HN) ( resid 29 and name HB2) 2.694 0.907 0.907 weight 1.000 ! spec=Expt_6, no=12, id=9, vol=1.272258e+07
assign ( resid 13 and name HN) ( resid 13 and name HA) 2.681 0.899 0.899 weight 1.000 ! spec=Expt_6, no=14, id=11, vol=1.099396e+07
assign ( resid 12 and name HN) ( resid 11 and name HA) 2.785 0.969 0.969 weight 1.000 ! spec=Expt_6, no=16, id=13, vol=9.916792e+06
assign ( resid 13 and name HN) ( resid 12 and name HA) 2.833 0.623 0.623 weight 1.000 ! spec=Expt_6, no=20, id=17, vol=3.297633e+07
assign ( resid 12 and name HN) ( resid 11 and name HN) 3.003 1.127 1.127 weight 1.000 ! spec=Expt_6, no=22, id=19, vol=5.903676e+06
assign ( resid 7 and name HN) ( resid 6 and name HA) 2.026 0.513 0.513 weight 1.000 ! spec=Expt_6, no=24, id=21, vol=5.588243e+07
assign ( resid 11 and name HN) ( resid 11 and name HA) 2.747 0.944 0.944 weight 1.000 ! spec=Expt_6, no=25, id=22, vol=1.030305e+07
assign ( resid 7 and name HN) ( resid 7 and name HA) 2.832 1.003 1.003 weight 1.000 ! spec=Expt_6, no=26, id=23, vol=7.857266e+06
assign ( resid 11 and name HN) ( resid 11 and name HB2) 2.846 1.013 1.013 weight 1.000 ! spec=Expt_6, no=27, id=24, vol=8.425829e+06
assign ( resid 9 and name HA1) ( resid 9 and name HN) 2.651 0.879 0.879 weight 1.000 ! spec=Expt_6, no=28, id=25, vol=1.138916e+07
assign ( resid 9 and name HA2) ( resid 10 and name HN) 3.199 1.280 1.280 weight 1.000 ! spec=Expt_6, no=31, id=28, vol=9.416733e+06
assign ( resid 8 and name HA) ( resid 9 and name HN) 2.212 0.612 0.612 weight 1.000 ! spec=Expt_6, no=33, id=30, vol=3.503898e+07
assign ( resid 8 and name HB2) ( resid 8 and name HB1) 1.978 0.489 0.489 weight 1.000 ! spec=Expt_6, no=34, id=31, vol=4.100436e+07
assign ( resid 9 and name HA1) ( resid 10 and name HN) 2.637 0.869 0.869 weight 1.000 ! spec=Expt_6, no=41, id=38, vol=1.177408e+07
assign ( resid 10 and name HN) ( resid 10 and name HB2) 2.691 0.905 0.905 weight 1.000 ! spec=Expt_6, no=42, id=39, vol=1.062079e+07
assign ( resid 3 and name HA) ( resid 3 and name HN) 2.805 0.607 0.607 weight 1.000 ! spec=Expt_6, no=44, id=41, vol=3.949551e+07
assign ( resid 10 and name HA) ( resid 10 and name HN) 3.043 1.158 1.158 weight 1.000 ! spec=Expt_6, no=45, id=42, vol=6.063045e+06
assign ( resid 10 and name HB1) ( resid 10 and name HN) 3.180 1.264 1.264 weight 1.000 ! spec=Expt_6, no=46, id=43, vol=7.170254e+06
assign ( resid 21 and name HN) ( resid 21 and name HB2) 2.542 0.808 0.808 weight 1.000 ! spec=Expt_6, no=50, id=47, vol=1.306500e+07
assign ( resid 6 and name HN) ( resid 5 and name HA) 2.082 0.542 0.542 weight 1.000 ! spec=Expt_6, no=51, id=48, vol=5.251047e+07
assign ( resid 15 and name HN) ( resid 14 and name HA) 2.701 0.912 0.912 weight 1.000 ! spec=Expt_6, no=56, id=53, vol=1.118997e+07
assign ( resid 29 and name HN) ( resid 28 and name HN) 2.729 0.931 0.931 weight 1.000 ! spec=Expt_6, no=63, id=60, vol=9.836149e+06
assign ( resid 30 and name HN) ( resid 31 and name HN) 2.844 1.011 1.011 weight 1.000 ! spec=Expt_6, no=66, id=63, vol=7.796502e+06
assign ( resid 29 and name HN) ( resid 30 and name HN) 2.671 0.892 0.892 weight 1.000 ! spec=Expt_6, no=68, id=65, vol=1.184449e+07
assign ( resid 28 and name HN) ( resid 28 and name HG1) 3.369 1.419 1.419 weight 1.000 ! spec=Expt_6, no=69, id=66, vol=8.334967e+06
assign ( resid 28 and name HN) ( resid 27 and name HB1) 2.838 1.007 1.007 weight 1.000 ! spec=Expt_6, no=71, id=68, vol=6.723318e+06
assign ( resid 21 and name HG2) ( resid 21 and name HE22) 3.284 1.348 1.348 weight 1.000 ! spec=Expt_6, no=86, id=83, vol=1.013891e+07
assign ( resid 21 and name HG2) ( resid 21 and name HB2) 2.308 0.666 0.666 weight 1.000 ! spec=Expt_6, no=87, id=84, vol=2.615892e+07
assign ( resid 21 and name HN) ( resid 21 and name HA) 2.699 0.910 0.910 weight 1.000 ! spec=Expt_6, no=89, id=86, vol=1.115928e+07
assign ( resid 16 and name HN) ( resid 15 and name HN) 2.706 0.915 0.915 weight 1.000 ! spec=Expt_6, no=91, id=88, vol=9.886119e+06
assign ( resid 19 and name HN) ( resid 18 and name HN) 2.520 0.794 0.794 weight 1.000 ! spec=Expt_6, no=93, id=90, vol=1.679392e+07
assign ( resid 34 and name HN) ( resid 33 and name HN) 2.724 0.928 0.928 weight 1.000 ! spec=Expt_6, no=97, id=93, vol=1.087760e+07
assign ( resid 27 and name HN) ( resid 28 and name HN) 2.845 1.012 1.012 weight 1.000 ! spec=Expt_6, no=98, id=94, vol=7.733600e+06
assign ( resid 32 and name HN) ( resid 31 and name HN) 2.777 0.964 0.964 weight 1.000 ! spec=Expt_6, no=100, id=96, vol=9.634651e+06
assign ( resid 28 and name HN) ( resid 27 and name HD1) 3.113 1.211 1.211 weight 1.000 ! spec=Expt_6, no=101, id=97, vol=5.753198e+06
assign ( resid 26 and name HN) ( resid 27 and name HN) 2.672 0.892 0.892 weight 1.000 ! spec=Expt_6, no=105, id=101, vol=1.136828e+07
assign ( resid 32 and name HN) ( resid 33 and name HN) 2.648 0.876 0.876 weight 1.000 ! spec=Expt_6, no=107, id=103, vol=1.270839e+07
assign ( resid 22 and name HN) ( resid 23 and name HN) 2.538 0.805 0.805 weight 1.000 ! spec=Expt_6, no=111, id=107, vol=1.625082e+07
assign ( resid 25 and name HN) ( resid 24 and name HN) 2.725 0.928 0.928 weight 1.000 ! spec=Expt_6, no=113, id=109, vol=1.040821e+07
assign ( resid 20 and name HD1) ( resid 20 and name HE1) 1.986 0.493 0.493 weight 1.000 ! spec=Expt_6, no=115, id=110, vol=6.674388e+07
assign ( resid 20 and name HD1) ( resid 20 and name HA) 2.564 0.822 0.822 weight 1.000 ! spec=Expt_6, no=116, id=111, vol=1.641633e+07
assign ( resid 20 and name HD1) ( resid 20 and name HB2) 2.475 0.766 0.766 weight 1.000 ! spec=Expt_6, no=119, id=114, vol=2.356559e+07
assign ( resid 27 and name HD2) ( resid 27 and name HA) 2.713 0.920 0.920 weight 1.000 ! spec=Expt_6, no=121, id=116, vol=1.218956e+07
assign ( resid 27 and name HD1) ( resid 27 and name HB1) 2.419 0.731 0.731 weight 1.000 ! spec=Expt_6, no=122, id=117, vol=1.882513e+07
assign ( resid 27 and name HD2) ( resid 27 and name HB2) 2.580 0.832 0.832 weight 1.000 ! spec=Expt_6, no=123, id=118, vol=1.627938e+07
assign ( resid 27 and name HB1) ( resid 27 and name HN) 2.511 0.788 0.788 weight 1.000 ! spec=Expt_6, no=124, id=119, vol=1.412476e+07
assign ( resid 27 and name HB2) ( resid 27 and name HN) 2.762 0.954 0.954 weight 1.000 ! spec=Expt_6, no=125, id=120, vol=1.229357e+07
assign ( resid 27 and name HB2) ( resid 24 and name HA) 3.187 1.270 1.270 weight 1.000 ! spec=Expt_6, no=127, id=122, vol=7.607204e+06
assign ( resid 27 and name HB1) ( resid 27 and name HA) 3.069 1.177 1.177 weight 1.000 ! spec=Expt_6, no=128, id=123, vol=8.168122e+06
assign ( resid 27 and name HB2) ( resid 27 and name HA) 2.680 0.898 0.898 weight 1.000 ! spec=Expt_6, no=129, id=124, vol=1.027961e+07
assign ( resid 27 and name HN) ( resid 27 and name HA) 2.808 0.986 0.986 weight 1.000 ! spec=Expt_6, no=133, id=128, vol=9.685469e+06
assign ( resid 33 and name HN) ( resid 33 and name HA) 2.669 0.891 0.891 weight 1.000 ! spec=Expt_6, no=134, id=129, vol=1.370759e+07
assign ( resid 20 and name HE1) ( resid 5 and name HG1) 3.356 1.408 1.408 weight 1.000 ! spec=Expt_6, no=139, id=134, vol=7.663738e+06
assign ( resid 5 and name HD2) ( resid 5 and name HD1) 2.040 0.520 0.520 weight 1.000 ! spec=Expt_6, no=143, id=138, vol=3.448218e+07
assign ( resid 4 and name HA) ( resid 5 and name HD1) 2.746 0.942 0.942 weight 1.000 ! spec=Expt_6, no=144, id=139, vol=1.257664e+07
assign ( resid 20 and name HE1) ( resid 7 and name HA) 3.063 1.173 1.173 weight 1.000 ! spec=Expt_6, no=145, id=140, vol=5.126667e+06
assign ( resid 34 and name HA) ( resid 34 and name HB1) 2.797 0.978 0.978 weight 1.000 ! spec=Expt_6, no=152, id=147, vol=1.456922e+07
assign ( resid 34 and name HA) ( resid 34 and name HN) 2.350 0.690 0.690 weight 1.000 ! spec=Expt_6, no=157, id=152, vol=2.776093e+07
assign ( resid 31 and name HN) ( resid 31 and name HD12) 3.244 1.315 1.315 weight 1.000 ! spec=Expt_6, no=158, id=153, vol=1.190171e+07
or ( resid 31 and name HN) ( resid 31 and name HD11)
or ( resid 31 and name HN) ( resid 31 and name HD13)
assign ( resid 7 and name HA) ( resid 8 and name HD2) 2.469 0.762 0.762 weight 1.000 ! spec=Expt_6, no=170, id=165, vol=2.195727e+07
assign ( resid 8 and name HD2) ( resid 8 and name HD1) 2.052 0.526 0.526 weight 1.000 ! spec=Expt_6, no=173, id=168, vol=3.610326e+07
assign ( resid 6 and name HB) ( resid 6 and name HN) 2.866 0.760 0.760 weight 1.000 ! spec=Expt_6, no=175, id=170, vol=2.041370e+07
assign ( resid 6 and name HA) ( resid 6 and name HB) 2.304 0.664 0.664 weight 1.000 ! spec=Expt_6, no=181, id=176, vol=3.091879e+07
assign ( resid 3 and name HB) ( resid 3 and name HA) 2.724 0.927 0.927 weight 1.000 ! spec=Expt_6, no=182, id=177, vol=1.173228e+07
assign ( resid 15 and name HN) ( resid 15 and name HB2) 3.281 1.345 1.345 weight 1.000 ! spec=Expt_6, no=186, id=181, vol=1.041360e+07
assign ( resid 15 and name HN) ( resid 15 and name HB1) 2.472 0.764 0.764 weight 1.000 ! spec=Expt_6, no=188, id=182, vol=1.581945e+07
assign ( resid 15 and name HB2) ( resid 15 and name HB1) 1.876 0.440 0.440 weight 1.000 ! spec=Expt_6, no=190, id=184, vol=6.297182e+07
assign ( resid 15 and name HN) ( resid 15 and name HG2) 3.960 1.960 1.960 weight 1.000 ! spec=Expt_6, no=196, id=190, vol=2.966165e+06
assign ( resid 15 and name HN) ( resid 15 and name HA) 2.622 0.859 0.859 weight 1.000 ! spec=Expt_6, no=197, id=191, vol=1.430460e+07
assign ( resid 24 and name HN) ( resid 24 and name HA) 2.726 0.929 0.929 weight 1.000 ! spec=Expt_6, no=198, id=192, vol=1.011259e+07
assign ( resid 16 and name HA) ( resid 16 and name HN) 2.623 0.860 0.860 weight 1.000 ! spec=Expt_6, no=200, id=194, vol=1.282965e+07
assign ( resid 17 and name HA) ( resid 18 and name HN) 2.938 1.079 1.079 weight 1.000 ! spec=Expt_6, no=212, id=205, vol=7.565736e+06
assign ( resid 28 and name HN) ( resid 28 and name HA) 2.740 0.939 0.939 weight 1.000 ! spec=Expt_6, no=218, id=211, vol=9.796437e+06
assign ( resid 28 and name HG2) ( resid 28 and name HE21) 3.977 1.977 1.977 weight 1.000 ! spec=Expt_6, no=220, id=213, vol=3.275514e+06
assign ( resid 21 and name HG2) ( resid 21 and name HA) 2.655 0.881 0.881 weight 1.000 ! spec=Expt_6, no=225, id=218, vol=1.336939e+07
assign ( resid 32 and name HN) ( resid 32 and name HA) 2.510 0.788 0.788 weight 1.000 ! spec=Expt_6, no=228, id=221, vol=1.851034e+07
assign ( resid 29 and name HA) ( resid 29 and name HN) 2.679 0.897 0.897 weight 1.000 ! spec=Expt_6, no=229, id=222, vol=1.256329e+07
assign ( resid 3 and name HN) ( resid 2 and name HA) 2.188 0.598 0.598 weight 1.000 ! spec=Expt_6, no=240, id=232, vol=3.951941e+07
assign ( resid 4 and name HN) ( resid 3 and name HA) 2.075 0.538 0.538 weight 1.000 ! spec=Expt_6, no=243, id=233, vol=5.268612e+07
assign ( resid 20 and name HN) ( resid 20 and name HB1) 2.425 0.735 0.735 weight 1.000 ! spec=Expt_6, no=244, id=234, vol=1.813895e+07
assign ( resid 20 and name HN) ( resid 20 and name HB2) 2.622 0.859 0.859 weight 1.000 ! spec=Expt_6, no=245, id=235, vol=1.442550e+07
assign ( resid 20 and name HB2) ( resid 20 and name HA) 2.802 0.982 0.982 weight 1.000 ! spec=Expt_6, no=246, id=236, vol=8.105997e+06
assign ( resid 20 and name HB1) ( resid 20 and name HA) 2.831 1.002 1.002 weight 1.000 ! spec=Expt_6, no=247, id=237, vol=1.238126e+07
assign ( resid 34 and name HB1) ( resid 34 and name HN) 2.618 0.857 0.857 weight 1.000 ! spec=Expt_6, no=248, id=238, vol=1.287202e+07
assign ( resid 20 and name HN) ( resid 20 and name HA) 2.745 0.942 0.942 weight 1.000 ! spec=Expt_6, no=253, id=243, vol=1.064343e+07
assign ( resid 34 and name HB1) ( resid 34 and name HD2) 2.522 0.795 0.795 weight 1.000 ! spec=Expt_6, no=254, id=244, vol=1.569213e+07
assign ( resid 20 and name HD1) ( resid 21 and name HE21) 2.882 0.443 0.443 weight 1.000 ! spec=Expt_6, no=256, id=246, vol=7.064787e+07
or ( resid 20 and name HD2) ( resid 21 and name HE21)
assign ( resid 14 and name HD2) ( resid 13 and name HB) 2.940 1.081 1.081 weight 1.000 ! spec=Expt_6, no=260, id=250, vol=1.055266e+07
assign ( resid 14 and name HD1) ( resid 13 and name HB) 2.493 0.777 0.777 weight 1.000 ! spec=Expt_6, no=261, id=251, vol=1.496758e+07
assign ( resid 13 and name HA) ( resid 14 and name HD1) 3.004 1.128 1.128 weight 1.000 ! spec=Expt_6, no=264, id=253, vol=1.759685e+07
assign ( resid 13 and name HA) ( resid 13 and name HB) 2.681 0.898 0.898 weight 1.000 ! spec=Expt_6, no=265, id=254, vol=1.059646e+07
assign ( resid 8 and name HB2) ( resid 8 and name HA) 2.363 0.698 0.698 weight 1.000 ! spec=Expt_6, no=268, id=257, vol=2.048558e+07
assign ( resid 3 and name HN) ( resid 3 and name HB) 2.595 0.842 0.842 weight 1.000 ! spec=Expt_6, no=277, id=266, vol=1.507711e+07
assign ( resid 4 and name HA) ( resid 4 and name HN) 2.996 1.122 1.122 weight 1.000 ! spec=Expt_6, no=283, id=272, vol=5.721728e+06
assign ( resid 2 and name HA) ( resid 2 and name HB2) 2.554 0.815 0.815 weight 1.000 ! spec=Expt_6, no=287, id=276, vol=1.316036e+07
assign ( resid 13 and name HN) ( resid 13 and name HB) 3.645 1.661 1.661 weight 1.000 ! spec=Expt_6, no=291, id=280, vol=2.694449e+06
assign ( resid 14 and name HD2) ( resid 14 and name HG1) 2.700 0.912 0.912 weight 1.000 ! spec=Expt_6, no=296, id=284, vol=8.258159e+06
assign ( resid 14 and name HD1) ( resid 14 and name HG1) 3.512 1.541 1.541 weight 1.000 ! spec=Expt_6, no=297, id=285, vol=4.779007e+06
assign ( resid 14 and name HD2) ( resid 14 and name HG2) 2.883 1.039 1.039 weight 1.000 ! spec=Expt_6, no=298, id=286, vol=9.745846e+06
assign ( resid 16 and name HB1) ( resid 16 and name HN) 2.473 0.764 0.764 weight 1.000 ! spec=Expt_6, no=306, id=294, vol=1.422292e+07
assign ( resid 16 and name HB2) ( resid 16 and name HN) 3.429 1.470 1.470 weight 1.000 ! spec=Expt_6, no=308, id=296, vol=7.101773e+06
assign ( resid 16 and name HB1) ( resid 16 and name HB2) 2.080 0.541 0.541 weight 1.000 ! spec=Expt_6, no=309, id=297, vol=3.177557e+07
assign ( resid 17 and name HB1) ( resid 17 and name HB2) 1.940 0.470 0.470 weight 1.000 ! spec=Expt_6, no=323, id=307, vol=5.031448e+07
assign ( resid 24 and name HD21) ( resid 24 and name HB1) 2.532 0.801 0.801 weight 1.000 ! spec=Expt_6, no=326, id=310, vol=1.978886e+07
or ( resid 24 and name HD22) ( resid 24 and name HB1)
or ( resid 24 and name HD23) ( resid 24 and name HB1)
assign ( resid 24 and name HA) ( resid 24 and name HB2) 2.610 0.852 0.852 weight 1.000 ! spec=Expt_6, no=329, id=313, vol=1.067198e+07
assign ( resid 24 and name HA) ( resid 24 and name HB1) 2.838 1.007 1.007 weight 1.000 ! spec=Expt_6, no=331, id=315, vol=1.105680e+07
assign ( resid 27 and name HB1) ( resid 24 and name HA) 2.541 0.807 0.807 weight 1.000 ! spec=Expt_6, no=332, id=316, vol=1.169569e+07
assign ( resid 1 and name HA) ( resid 2 and name HD1) 2.432 0.739 0.739 weight 1.000 ! spec=Expt_6, no=333, id=317, vol=2.037242e+07
assign ( resid 31 and name HA) ( resid 34 and name HB2) 3.147 1.238 1.238 weight 1.000 ! spec=Expt_6, no=337, id=321, vol=5.950208e+06
assign ( resid 26 and name HN) ( resid 26 and name HA) 2.607 0.849 0.849 weight 1.000 ! spec=Expt_6, no=338, id=322, vol=1.370506e+07
assign ( resid 26 and name HN) ( resid 26 and name HB1) 2.494 0.777 0.777 weight 1.000 ! spec=Expt_6, no=339, id=323, vol=1.498381e+07
assign ( resid 26 and name HN) ( resid 26 and name HB2) 2.787 0.971 0.971 weight 1.000 ! spec=Expt_6, no=340, id=324, vol=1.509995e+07
assign ( resid 26 and name HG2) ( resid 26 and name HN) 3.355 0.754 0.754 weight 1.000 ! spec=Expt_6, no=341, id=325, vol=2.020065e+07
assign ( resid 26 and name HB1) ( resid 23 and name HA) 2.839 1.007 1.007 weight 1.000 ! spec=Expt_6, no=342, id=326, vol=7.440759e+06
assign ( resid 30 and name HN) ( resid 30 and name HB1) 2.773 0.961 0.961 weight 1.000 ! spec=Expt_6, no=361, id=342, vol=8.079082e+06
assign ( resid 30 and name HN) ( resid 30 and name HB2) 3.456 1.493 1.493 weight 1.000 ! spec=Expt_6, no=362, id=343, vol=4.499798e+06
assign ( resid 30 and name HN) ( resid 29 and name HB1) 2.827 0.999 0.999 weight 1.000 ! spec=Expt_6, no=364, id=344, vol=7.073319e+06
assign ( resid 30 and name HN) ( resid 29 and name HB2) 3.798 1.803 1.803 weight 1.000 ! spec=Expt_6, no=365, id=345, vol=4.028195e+06
assign ( resid 30 and name HB2) ( resid 30 and name HA) 2.532 0.802 0.802 weight 1.000 ! spec=Expt_6, no=368, id=348, vol=1.530350e+07
assign ( resid 30 and name HB1) ( resid 30 and name HA) 3.142 1.234 1.234 weight 1.000 ! spec=Expt_6, no=369, id=349, vol=6.760747e+06
assign ( resid 31 and name HN) ( resid 31 and name HA) 2.825 0.998 0.998 weight 1.000 ! spec=Expt_6, no=370, id=350, vol=8.627433e+06
assign ( resid 31 and name HB2) ( resid 31 and name HN) 2.821 0.994 0.994 weight 1.000 ! spec=Expt_6, no=371, id=351, vol=9.947904e+06
assign ( resid 31 and name HN) ( resid 30 and name HB1) 3.248 1.319 1.319 weight 1.000 ! spec=Expt_6, no=384, id=364, vol=3.486253e+06
assign ( resid 31 and name HN) ( resid 30 and name HB2) 3.769 1.776 1.776 weight 1.000 ! spec=Expt_6, no=385, id=365, vol=2.783985e+06
assign ( resid 34 and name HN) ( resid 33 and name HB1) 3.083 1.188 1.188 weight 1.000 ! spec=Expt_6, no=388, id=368, vol=6.515697e+06
assign ( resid 24 and name HB2) ( resid 24 and name HN) 2.721 0.925 0.925 weight 1.000 ! spec=Expt_6, no=389, id=369, vol=1.076396e+07
assign ( resid 24 and name HB1) ( resid 24 and name HN) 2.645 0.874 0.874 weight 1.000 ! spec=Expt_6, no=391, id=371, vol=1.154709e+07
assign ( resid 17 and name HN) ( resid 16 and name HB1) 3.061 1.171 1.171 weight 1.000 ! spec=Expt_6, no=396, id=374, vol=5.447404e+06
assign ( resid 27 and name HN) ( resid 26 and name HB1) 2.906 1.056 1.056 weight 1.000 ! spec=Expt_6, no=397, id=375, vol=6.197731e+06
assign ( resid 27 and name HN) ( resid 26 and name HB2) 3.777 1.783 1.783 weight 1.000 ! spec=Expt_6, no=398, id=376, vol=2.942443e+06
assign ( resid 31 and name HA) ( resid 32 and name HN) 3.253 1.323 1.323 weight 1.000 ! spec=Expt_6, no=411, id=386, vol=4.327900e+06
assign ( resid 31 and name HA) ( resid 34 and name HN) 3.238 1.310 1.310 weight 1.000 ! spec=Expt_6, no=412, id=387, vol=4.174567e+06
assign ( resid 24 and name HA) ( resid 25 and name HN) 3.378 1.426 1.426 weight 1.000 ! spec=Expt_6, no=413, id=388, vol=3.114009e+06
assign ( resid 27 and name HE1) ( resid 27 and name H33A) 1.989 0.495 0.495 weight 1.000 ! spec=Expt_6, no=431, id=404, vol=5.745033e+07
or ( resid 27 and name HE1) ( resid 27 and name H33B)
or ( resid 27 and name HE1) ( resid 27 and name H33)
assign ( resid 5 and name HA) ( resid 5 and name HB2) 2.717 0.923 0.923 weight 1.000 ! spec=Expt_6, no=432, id=405, vol=1.343071e+07
assign ( resid 1 and name HD2) ( resid 1 and name HG1) 3.798 1.803 1.803 weight 1.000 ! spec=Expt_6, no=439, id=412, vol=2.176756e+06
assign ( resid 1 and name HD1) ( resid 1 and name HD2) 1.876 0.440 0.440 weight 1.000 ! spec=Expt_6, no=441, id=414, vol=6.756777e+07
assign ( resid 20 and name HB1) ( resid 17 and name HA) 2.816 0.991 0.991 weight 1.000 ! spec=Expt_6, no=447, id=420, vol=7.649740e+06
assign ( resid 20 and name HB2) ( resid 17 and name HA) 2.878 1.036 1.036 weight 1.000 ! spec=Expt_6, no=448, id=421, vol=9.626958e+06
assign ( resid 27 and name HN) ( resid 26 and name HA) 3.164 1.251 1.251 weight 1.000 ! spec=Expt_6, no=453, id=426, vol=4.741717e+06
assign ( resid 27 and name HN) ( resid 24 and name HA) 3.113 1.211 1.211 weight 1.000 ! spec=Expt_6, no=454, id=427, vol=5.268553e+06
assign ( resid 4 and name HG2) ( resid 4 and name HB2) 2.196 0.603 0.603 weight 1.000 ! spec=Expt_6, no=465, id=437, vol=2.673546e+07
assign ( resid 31 and name HD22) ( resid 27 and name H33A) 2.209 0.409 0.409 weight 1.000 ! spec=Expt_6, no=473, id=444, vol=4.794391e+07
or ( resid 31 and name HD22) ( resid 27 and name H33B)
or ( resid 31 and name HD22) ( resid 27 and name H33)
or ( resid 31 and name HD21) ( resid 27 and name H33A)
or ( resid 31 and name HD21) ( resid 27 and name H33B)
or ( resid 31 and name HD21) ( resid 27 and name H33)
or ( resid 31 and name HD23) ( resid 27 and name H33A)
or ( resid 31 and name HD23) ( resid 27 and name H33B)
or ( resid 31 and name HD23) ( resid 27 and name H33)
assign ( resid 21 and name HA) ( resid 24 and name HB1) 2.621 0.859 0.859 weight 1.000 ! spec=Expt_6, no=485, id=455, vol=1.081326e+07
assign ( resid 28 and name HA) ( resid 31 and name HB2) 3.255 1.324 1.324 weight 1.000 ! spec=Expt_6, no=486, id=456, vol=7.247911e+06
assign ( resid 31 and name HB2) ( resid 31 and name HA) 2.906 1.056 1.056 weight 1.000 ! spec=Expt_6, no=487, id=457, vol=9.213183e+06
assign ( resid 28 and name HB2) ( resid 28 and name HA) 2.616 0.856 0.856 weight 1.000 ! spec=Expt_6, no=488, id=458, vol=1.192904e+07
assign ( resid 5 and name HD1) ( resid 5 and name HG2) 3.232 1.306 1.306 weight 1.000 ! spec=Expt_6, no=491, id=461, vol=7.113170e+06
assign ( resid 7 and name HA) ( resid 7 and name HD2) 3.393 1.439 1.439 weight 1.000 ! spec=Expt_6, no=494, id=464, vol=6.212048e+06
assign ( resid 5 and name HD2) ( resid 5 and name HG1) 2.438 0.743 0.743 weight 1.000 ! spec=Expt_6, no=496, id=466, vol=2.258003e+07
assign ( resid 2 and name HD2) ( resid 2 and name HG1) 2.481 0.770 0.770 weight 1.000 ! spec=Expt_6, no=497, id=467, vol=1.320593e+07
assign ( resid 2 and name HD2) ( resid 2 and name HG2) 2.965 1.099 1.099 weight 1.000 ! spec=Expt_6, no=498, id=468, vol=9.622385e+06
assign ( resid 4 and name HA) ( resid 4 and name HG2) 3.068 1.177 1.177 weight 1.000 ! spec=Expt_6, no=502, id=471, vol=5.167498e+06
assign ( resid 28 and name HG2) ( resid 28 and name HB2) 3.289 1.352 1.352 weight 1.000 ! spec=Expt_6, no=506, id=474, vol=6.174052e+06
assign ( resid 15 and name HG1) ( resid 15 and name HB1) 2.039 0.519 0.519 weight 1.000 ! spec=Expt_6, no=507, id=475, vol=4.858877e+07
assign ( resid 28 and name HG2) ( resid 28 and name HA) 3.033 1.150 1.150 weight 1.000 ! spec=Expt_6, no=509, id=477, vol=7.839788e+06
assign ( resid 21 and name HB2) ( resid 21 and name HA) 2.666 0.888 0.888 weight 1.000 ! spec=Expt_6, no=510, id=478, vol=1.735073e+07
assign ( resid 28 and name HB1) ( resid 28 and name HA) 2.999 1.125 1.125 weight 1.000 ! spec=Expt_6, no=511, id=479, vol=8.130047e+06
assign ( resid 18 and name HA) ( resid 21 and name HB2) 2.922 1.067 1.067 weight 1.000 ! spec=Expt_6, no=513, id=481, vol=7.626761e+06
assign ( resid 25 and name HA) ( resid 28 and name HB1) 2.906 1.056 1.056 weight 1.000 ! spec=Expt_6, no=514, id=482, vol=6.653393e+06
assign ( resid 15 and name HB2) ( resid 15 and name HA) 2.608 0.850 0.850 weight 1.000 ! spec=Expt_6, no=515, id=483, vol=1.355142e+07
assign ( resid 19 and name HA) ( resid 19 and name HB1) 2.492 0.776 0.776 weight 1.000 ! spec=Expt_6, no=517, id=485, vol=1.844450e+07
assign ( resid 19 and name HA) ( resid 19 and name HB2) 2.547 0.811 0.811 weight 1.000 ! spec=Expt_6, no=519, id=487, vol=1.832061e+07
assign ( resid 17 and name HB2) ( resid 17 and name HA) 2.901 1.052 1.052 weight 1.000 ! spec=Expt_6, no=521, id=489, vol=9.299918e+06
assign ( resid 15 and name HA) ( resid 15 and name HG2) 2.898 0.910 0.910 weight 1.000 ! spec=Expt_6, no=533, id=496, vol=1.133163e+07
assign ( resid 17 and name HB1) ( resid 17 and name HA) 2.380 0.708 0.708 weight 1.000 ! spec=Expt_6, no=540, id=503, vol=2.140922e+07
assign ( resid 20 and name HB1) ( resid 21 and name HN) 3.053 1.165 1.165 weight 1.000 ! spec=Expt_6, no=559, id=514, vol=4.578453e+06
assign ( resid 21 and name HN) ( resid 20 and name HB2) 3.416 1.459 1.459 weight 1.000 ! spec=Expt_6, no=560, id=515, vol=7.055530e+06
assign ( resid 19 and name HG2) ( resid 19 and name HN) 3.088 0.837 0.837 weight 1.000 ! spec=Expt_6, no=561, id=516, vol=1.493222e+07
assign ( resid 23 and name HA) ( resid 23 and name HB1) 2.889 1.043 1.043 weight 1.000 ! spec=Expt_6, no=569, id=524, vol=7.786986e+06
assign ( resid 15 and name HA) ( resid 15 and name HG1) 3.046 1.160 1.160 weight 1.000 ! spec=Expt_6, no=571, id=525, vol=8.542053e+06
assign ( resid 12 and name HB2) ( resid 8 and name HB2) 3.303 1.364 1.364 weight 1.000 ! spec=Expt_6, no=614, id=554, vol=1.220733e+07
or ( resid 12 and name HB1) ( resid 8 and name HB2)
or ( resid 12 and name HB3) ( resid 8 and name HB2)
assign ( resid 17 and name HB2) ( resid 17 and name HN) 2.690 0.904 0.904 weight 1.000 ! spec=Expt_6, no=624, id=564, vol=1.536558e+07
assign ( resid 28 and name HB1) ( resid 28 and name HN) 2.605 0.848 0.848 weight 1.000 ! spec=Expt_6, no=625, id=565, vol=1.134596e+07
assign ( resid 28 and name HB2) ( resid 28 and name HN) 3.541 1.567 1.567 weight 1.000 ! spec=Expt_6, no=626, id=566, vol=6.326021e+06
assign ( resid 19 and name HB1) ( resid 19 and name HN) 2.789 0.973 0.973 weight 1.000 ! spec=Expt_6, no=627, id=567, vol=1.525211e+07
assign ( resid 19 and name HB2) ( resid 19 and name HN) 3.018 0.731 0.731 weight 1.000 ! spec=Expt_6, no=628, id=568, vol=1.770347e+07
assign ( resid 25 and name HN) ( resid 24 and name HB1) 2.702 0.913 0.913 weight 1.000 ! spec=Expt_6, no=629, id=569, vol=9.589838e+06
assign ( resid 33 and name HB1) ( resid 33 and name HN) 2.540 0.806 0.806 weight 1.000 ! spec=Expt_6, no=631, id=571, vol=1.759475e+07
assign ( resid 18 and name HN) ( resid 18 and name HA) 2.510 0.787 0.787 weight 1.000 ! spec=Expt_6, no=632, id=572, vol=1.811325e+07
assign ( resid 17 and name HA) ( resid 17 and name HN) 2.671 0.892 0.892 weight 1.000 ! spec=Expt_6, no=634, id=574, vol=1.244069e+07
assign ( resid 23 and name HN) ( resid 20 and name HA) 3.262 1.330 1.330 weight 1.000 ! spec=Expt_6, no=635, id=575, vol=3.889783e+06
assign ( resid 23 and name HA) ( resid 23 and name HN) 2.704 0.914 0.914 weight 1.000 ! spec=Expt_6, no=636, id=576, vol=1.212273e+07
assign ( resid 22 and name HA) ( resid 23 and name HN) 3.251 1.321 1.321 weight 1.000 ! spec=Expt_6, no=637, id=577, vol=4.423547e+06
assign ( resid 23 and name HB2) ( resid 23 and name HN) 2.715 0.922 0.922 weight 1.000 ! spec=Expt_6, no=638, id=578, vol=1.013643e+07
assign ( resid 19 and name HA) ( resid 19 and name HN) 2.557 0.817 0.817 weight 1.000 ! spec=Expt_6, no=639, id=579, vol=1.668827e+07
assign ( resid 25 and name HN) ( resid 22 and name HA) 3.060 1.170 1.170 weight 1.000 ! spec=Expt_6, no=641, id=581, vol=5.585446e+06
assign ( resid 25 and name HA) ( resid 25 and name HN) 2.586 0.836 0.836 weight 1.000 ! spec=Expt_6, no=642, id=582, vol=1.455914e+07
assign ( resid 28 and name HN) ( resid 25 and name HA) 3.078 1.184 1.184 weight 1.000 ! spec=Expt_6, no=643, id=583, vol=5.477178e+06
assign ( resid 4 and name HB2) ( resid 4 and name HN) 2.594 0.841 0.841 weight 1.000 ! spec=Expt_6, no=644, id=584, vol=1.285624e+07
assign ( resid 30 and name HA) ( resid 30 and name HN) 2.818 0.992 0.992 weight 1.000 ! spec=Expt_6, no=646, id=586, vol=9.359453e+06
assign ( resid 8 and name HB1) ( resid 8 and name HD2) 2.825 0.675 0.675 weight 1.000 ! spec=Expt_6, no=657, id=595, vol=2.424264e+07
assign ( resid 2 and name HD1) ( resid 2 and name HG1) 3.220 1.296 1.296 weight 1.000 ! spec=Expt_6, no=658, id=596, vol=7.037410e+06
assign ( resid 16 and name HB2) ( resid 16 and name HA) 2.476 0.766 0.766 weight 1.000 ! spec=Expt_6, no=661, id=599, vol=1.620532e+07
assign ( resid 2 and name HB1) ( resid 2 and name HB2) 1.995 0.497 0.497 weight 1.000 ! spec=Expt_6, no=665, id=603, vol=4.101469e+07
assign ( resid 18 and name HA) ( resid 17 and name HB2) 3.327 1.071 1.071 weight 1.000 ! spec=Expt_6, no=667, id=605, vol=7.618253e+06
assign ( resid 9 and name HA2) ( resid 9 and name HN) 2.743 0.941 0.941 weight 1.000 ! spec=Expt_6, no=671, id=609, vol=1.590877e+07
assign ( resid 34 and name HB2) ( resid 34 and name HN) 2.621 0.859 0.859 weight 1.000 ! spec=Expt_6, no=675, id=613, vol=1.410318e+07
assign ( resid 27 and name HE1) ( resid 2 and name HG1) 3.399 1.201 1.201 weight 1.000 ! spec=Expt_6, no=677, id=615, vol=4.877298e+06
or ( resid 27 and name HE2) ( resid 2 and name HG1)
assign ( resid 13 and name HN) ( resid 8 and name HB1) 3.825 1.467 1.467 weight 1.000 ! spec=Expt_6, no=679, id=617, vol=5.111334e+06
assign ( resid 29 and name HN) ( resid 28 and name HB1) 3.136 1.229 1.229 weight 1.000 ! spec=Expt_6, no=680, id=618, vol=4.626699e+06
assign ( resid 28 and name HG1) ( resid 27 and name HD1) 3.262 1.330 1.330 weight 1.000 ! spec=Expt_6, no=681, id=619, vol=4.231430e+06
assign ( resid 28 and name HG2) ( resid 27 and name HD1) 3.094 1.196 1.196 weight 1.000 ! spec=Expt_6, no=682, id=620, vol=4.529524e+06
assign ( resid 23 and name HN) ( resid 23 and name HB1) 3.252 1.322 1.322 weight 1.000 ! spec=Expt_6, no=685, id=623, vol=5.416163e+06
assign ( resid 18 and name HN) ( resid 17 and name HB2) 2.803 0.982 0.982 weight 1.000 ! spec=Expt_6, no=688, id=626, vol=8.271264e+06
assign ( resid 25 and name HN) ( resid 24 and name HB2) 3.860 1.863 1.863 weight 1.000 ! spec=Expt_6, no=692, id=628, vol=3.776002e+06
assign ( resid 23 and name HA) ( resid 26 and name HN) 3.241 1.313 1.313 weight 1.000 ! spec=Expt_6, no=716, id=646, vol=4.679804e+06
assign ( resid 4 and name HA) ( resid 4 and name HB2) 3.024 1.143 1.143 weight 1.000 ! spec=Expt_6, no=722, id=652, vol=4.748244e+06
assign ( resid 4 and name HA) ( resid 4 and name HB1) 2.922 1.068 1.068 weight 1.000 ! spec=Expt_6, no=725, id=653, vol=6.696382e+06
assign ( resid 27 and name HB2) ( resid 28 and name HN) 4.027 2.027 2.027 weight 1.000 ! spec=Expt_6, no=727, id=655, vol=2.887688e+06
assign ( resid 0 and name HA1) ( resid 34 and name HB2) 3.390 1.437 1.437 weight 1.000 ! spec=Expt_6, no=739, id=666, vol=4.771722e+06
or ( resid 0 and name HA2) ( resid 34 and name HB2)
or ( resid 0 and name HA3) ( resid 34 and name HB2)
assign ( resid 8 and name HG1) ( resid 8 and name HA) 3.299 1.360 1.360 weight 1.000 ! spec=Expt_6, no=752, id=674, vol=3.527929e+06
assign ( resid 8 and name HG2) ( resid 8 and name HA) 3.807 1.811 1.811 weight 1.000 ! spec=Expt_6, no=753, id=675, vol=3.358832e+06
assign ( resid 31 and name HA) ( resid 2 and name HG1) 3.499 1.530 1.530 weight 1.000 ! spec=Expt_6, no=759, id=678, vol=2.627528e+06
assign ( resid 31 and name HA) ( resid 2 and name HG2) 3.057 1.168 1.168 weight 1.000 ! spec=Expt_6, no=761, id=679, vol=4.479209e+06
assign ( resid 16 and name HN) ( resid 15 and name HB2) 3.510 1.540 1.540 weight 1.000 ! spec=Expt_6, no=765, id=682, vol=4.847577e+06
assign ( resid 7 and name HD1) ( resid 7 and name HN) 3.729 1.738 1.738 weight 1.000 ! spec=Expt_6, no=768, id=683, vol=4.123089e+06
assign ( resid 31 and name HN) ( resid 28 and name HA) 3.616 1.634 1.634 weight 1.000 ! spec=Expt_6, no=771, id=686, vol=2.555838e+06
assign ( resid 27 and name HE1) ( resid 4 and name HG2) 3.284 1.348 1.348 weight 1.000 ! spec=Expt_6, no=774, id=688, vol=3.054716e+06
assign ( resid 27 and name HD2) ( resid 4 and name HA) 3.278 1.344 1.344 weight 1.000 ! spec=Expt_6, no=775, id=689, vol=3.635531e+06
assign ( resid 15 and name HB2) ( resid 15 and name HG1) 2.811 0.988 0.988 weight 1.000 ! spec=Expt_6, no=780, id=693, vol=1.703130e+07
assign ( resid 4 and name HN) ( resid 4 and name HG1) 4.572 2.613 2.613 weight 1.000 ! spec=Expt_6, no=790, id=697, vol=1.052643e+06
assign ( resid 4 and name HG1) ( resid 4 and name HA) 3.058 1.169 1.169 weight 1.000 ! spec=Expt_6, no=792, id=699, vol=5.582497e+06
assign ( resid 5 and name HD1) ( resid 4 and name HG1) 4.361 2.378 2.378 weight 1.000 ! spec=Expt_6, no=793, id=700, vol=2.142312e+06
assign ( resid 4 and name HG1) ( resid 27 and name HE1) 4.192 2.197 2.197 weight 1.000 ! spec=Expt_6, no=794, id=701, vol=1.450580e+06
# Restraints file 2: ambig_VQVJbGP.tbl
assign ( resid 9 and name HA2) ( resid 10 and name HA) 3.988 1.988 1.988 weight 1.000 ! spec=Expt_16, no=54, id=737, vol=7.029659e+06
or ( resid 9 and name HA2) ( resid 8 and name HA)
assign ( resid 3 and name HB) ( resid 5 and name HA) 4.048 2.048 2.048 weight 1.000 ! spec=Expt_16, no=55, id=738, vol=8.234514e+06
or ( resid 6 and name HB) ( resid 5 and name HA)
assign ( resid 24 and name HA) ( resid 5 and name HG2) 3.170 1.256 1.256 weight 1.000 ! spec=Expt_16, no=84, id=760, vol=1.585344e+07
or ( resid 24 and name HA) ( resid 24 and name HB1)
assign ( resid 23 and name HA) ( resid 26 and name HG2) 3.285 1.349 1.349 weight 1.000 ! spec=Expt_16, no=182, id=819, vol=9.924211e+06
or ( resid 23 and name HA) ( resid 26 and name HG1)
or ( resid 33 and name HA) ( resid 32 and name HB3)
or ( resid 33 and name HA) ( resid 32 and name HB2)
or ( resid 33 and name HA) ( resid 32 and name HB1)
assign ( resid 8 and name HA) ( resid 12 and name HB2) 3.319 1.377 1.377 weight 1.000 ! spec=Expt_16, no=192, id=823, vol=9.833080e+06
or ( resid 8 and name HA) ( resid 12 and name HB1)
or ( resid 8 and name HA) ( resid 12 and name HB3)
or ( resid 10 and name HA) ( resid 12 and name HB2)
or ( resid 10 and name HA) ( resid 12 and name HB1)
or ( resid 10 and name HA) ( resid 12 and name HB3)
assign ( resid 2 and name HD1) ( resid 1 and name HB1) 4.217 2.223 2.223 weight 1.000 ! spec=Expt_16, no=203, id=831, vol=6.633696e+06
or ( resid 2 and name HD1) ( resid 1 and name HG2)
assign ( resid 7 and name HA) ( resid 8 and name HB1) 4.319 2.332 2.332 weight 1.000 ! spec=Expt_16, no=206, id=834, vol=5.373394e+06
or ( resid 20 and name HB1) ( resid 8 and name HB1)
assign ( resid 4 and name HA) ( resid 5 and name HG2) 3.519 1.548 1.548 weight 1.000 ! spec=Expt_16, no=229, id=850, vol=1.796264e+07
or ( resid 23 and name HB2) ( resid 22 and name HB2)
or ( resid 23 and name HB2) ( resid 22 and name HB1)
or ( resid 23 and name HB2) ( resid 22 and name HB3)
or ( resid 23 and name HB2) ( resid 24 and name HB1)
assign ( resid 11 and name HB2) ( resid 19 and name HG2) 3.851 1.321 1.321 weight 1.000 ! spec=Expt_16, no=233, id=853, vol=1.204185e+07
or ( resid 11 and name HB1) ( resid 18 and name HB2)
or ( resid 11 and name HB1) ( resid 18 and name HB1)
or ( resid 11 and name HB1) ( resid 18 and name HB3)
or ( resid 11 and name HB1) ( resid 19 and name HG2)
or ( resid 11 and name HB1) ( resid 19 and name HG1)
or ( resid 23 and name HB2) ( resid 19 and name HG2)
or ( resid 23 and name HB2) ( resid 19 and name HG1)
or ( resid 23 and name HB2) ( resid 25 and name HB3)
or ( resid 23 and name HB2) ( resid 25 and name HB2)
or ( resid 23 and name HB2) ( resid 25 and name HB1)
or ( resid 23 and name HB2) ( resid 26 and name HG2)
or ( resid 23 and name HB2) ( resid 26 and name HG1)
assign ( resid 7 and name HA) ( resid 24 and name HD12) 3.537 1.564 1.564 weight 1.000 ! spec=Expt_16, no=262, id=860, vol=8.275716e+06
or ( resid 7 and name HA) ( resid 24 and name HD13)
or ( resid 7 and name HA) ( resid 24 and name HD11)
or ( resid 20 and name HB1) ( resid 24 and name HD21)
or ( resid 20 and name HB1) ( resid 24 and name HD22)
or ( resid 20 and name HB1) ( resid 24 and name HD23)
or ( resid 27 and name HB2) ( resid 24 and name HD12)
or ( resid 27 and name HB2) ( resid 24 and name HD13)
or ( resid 27 and name HB2) ( resid 24 and name HD11)
assign ( resid 2 and name HD2) ( resid 31 and name HD22) 2.955 1.091 1.091 weight 1.000 ! spec=Expt_16, no=264, id=861, vol=1.141678e+07
or ( resid 2 and name HD2) ( resid 31 and name HD21)
or ( resid 2 and name HD2) ( resid 31 and name HD23)
or ( resid 34 and name HB1) ( resid 31 and name HD22)
or ( resid 34 and name HB1) ( resid 31 and name HD21)
or ( resid 34 and name HB1) ( resid 31 and name HD23)
assign ( resid 4 and name HG1) ( resid 4 and name HA) 3.209 1.287 1.287 weight 1.000 ! spec=Expt_16, no=267, id=863, vol=9.749497e+06
or ( resid 4 and name HE2) ( resid 4 and name HG1)
assign ( resid 24 and name HD12) ( resid 5 and name HG2) 2.175 0.591 0.591 weight 1.000 ! spec=Expt_16, no=291, id=879, vol=3.793639e+07
or ( resid 24 and name HD13) ( resid 5 and name HG2)
or ( resid 24 and name HD11) ( resid 5 and name HG2)
or ( resid 24 and name HD21) ( resid 24 and name HB1)
or ( resid 24 and name HD22) ( resid 24 and name HB1)
or ( resid 24 and name HD23) ( resid 24 and name HB1)
assign ( resid 24 and name HD12) ( resid 24 and name HB2) 2.202 0.606 0.606 weight 1.000 ! spec=Expt_16, no=307, id=888, vol=3.037394e+07
or ( resid 24 and name HD13) ( resid 24 and name HB2)
or ( resid 24 and name HD11) ( resid 24 and name HB2)
or ( resid 24 and name HD21) ( resid 24 and name HB2)
or ( resid 24 and name HD22) ( resid 24 and name HB2)
or ( resid 24 and name HD23) ( resid 24 and name HB2)
assign ( resid 4 and name HG1) ( resid 4 and name HB1) 2.657 0.883 0.883 weight 1.000 ! spec=Expt_16, no=333, id=900, vol=1.881481e+07
or ( resid 4 and name HG1) ( resid 4 and name HD2)
or ( resid 4 and name HG1) ( resid 4 and name HD1)
assign ( resid 14 and name HB1) ( resid 14 and name HG2) 2.704 0.914 0.914 weight 1.000 ! spec=Expt_16, no=344, id=911, vol=2.122756e+07
or ( resid 14 and name HB2) ( resid 14 and name HG2)
assign ( resid 20 and name H33A) ( resid 7 and name HE2) 3.300 1.051 1.051 weight 1.000 ! spec=Expt_16, no=357, id=924, vol=9.820915e+06
or ( resid 20 and name H33) ( resid 7 and name HE2)
or ( resid 20 and name H33B) ( resid 7 and name HE2)
or ( resid 20 and name H33A) ( resid 7 and name HE1)
or ( resid 20 and name H33) ( resid 7 and name HE1)
or ( resid 20 and name H33B) ( resid 7 and name HE1)
assign ( resid 11 and name HB2) ( resid 11 and name HA) 2.255 0.636 0.636 weight 1.000 ! spec=Expt_16, no=400, id=965, vol=6.401298e+07
or ( resid 11 and name HB1) ( resid 11 and name HA)
assign ( resid 10 and name HA) ( resid 10 and name HB2) 2.689 0.904 0.904 weight 1.000 ! spec=Expt_16, no=407, id=970, vol=2.668025e+07
or ( resid 30 and name HB2) ( resid 30 and name HA)
assign ( resid 18 and name HB2) ( resid 15 and name HA) 3.061 0.757 0.757 weight 1.000 ! spec=Expt_16, no=438, id=988, vol=4.294669e+07
or ( resid 18 and name HB1) ( resid 15 and name HA)
or ( resid 18 and name HB3) ( resid 15 and name HA)
or ( resid 16 and name HA) ( resid 18 and name HB2)
or ( resid 16 and name HA) ( resid 18 and name HB1)
or ( resid 16 and name HA) ( resid 18 and name HB3)
or ( resid 18 and name HB2) ( resid 17 and name HA)
or ( resid 18 and name HB1) ( resid 17 and name HA)
or ( resid 18 and name HB3) ( resid 17 and name HA)
or ( resid 16 and name HA) ( resid 19 and name HG2)
assign ( resid 20 and name HN) ( resid 21 and name HE21) 3.850 1.853 1.853 weight 1.000 ! spec=Expt_16, no=500, id=1047, vol=7.529942e+06
or ( resid 22 and name HN) ( resid 21 and name HE21)
assign ( resid 15 and name HN) ( resid 13 and name HB) 2.948 1.087 1.087 weight 1.000 ! spec=Expt_16, no=507, id=1053, vol=1.154387e+07
or ( resid 15 and name HN) ( resid 14 and name HA)
assign ( resid 15 and name HN) ( resid 13 and name HA) 3.553 1.578 1.578 weight 1.000 ! spec=Expt_16, no=514, id=1060, vol=6.053726e+06
or ( resid 24 and name HN) ( resid 20 and name HA)
assign ( resid 19 and name HN) ( resid 18 and name HA) 3.111 1.210 1.210 weight 1.000 ! spec=Expt_16, no=540, id=1078, vol=1.067787e+07
or ( resid 21 and name HN) ( resid 18 and name HA)
assign ( resid 34 and name HA) ( resid 34 and name HN) 2.399 0.720 0.720 weight 1.000 ! spec=Expt_16, no=543, id=1080, vol=4.900732e+07
or ( resid 22 and name HN) ( resid 22 and name HA)
assign ( resid 17 and name HN) ( resid 16 and name HA) 2.809 0.986 0.986 weight 1.000 ! spec=Expt_16, no=556, id=1090, vol=1.790137e+07
or ( resid 17 and name HA) ( resid 17 and name HN)
assign ( resid 34 and name HD1) ( resid 1 and name HA) 3.195 1.276 1.276 weight 1.000 ! spec=Expt_16, no=589, id=1118, vol=8.275920e+06
or ( resid 34 and name HE1) ( resid 1 and name HA)
assign ( resid 27 and name HD2) ( resid 5 and name HD1) 3.423 1.464 1.464 weight 1.000 ! spec=Expt_16, no=591, id=1120, vol=8.266576e+06
or ( resid 27 and name HD1) ( resid 5 and name HD1)
assign ( resid 27 and name HE1) ( resid 27 and name HB1) 3.845 1.848 1.848 weight 1.000 ! spec=Expt_16, no=595, id=1124, vol=1.110324e+07
or ( resid 27 and name HE2) ( resid 2 and name HD1)
or ( resid 27 and name HE2) ( resid 27 and name HB1)
assign ( resid 34 and name HD1) ( resid 2 and name HD1) 3.668 1.682 1.682 weight 1.000 ! spec=Expt_16, no=597, id=1126, vol=6.516702e+06
or ( resid 34 and name HD2) ( resid 2 and name HD1)
assign ( resid 27 and name HD2) ( resid 2 and name HD2) 4.407 2.428 2.428 weight 1.000 ! spec=Expt_16, no=607, id=1134, vol=5.460136e+06
or ( resid 27 and name HD2) ( resid 34 and name HB1)
assign ( resid 34 and name HB1) ( resid 34 and name HD2) 2.422 0.733 0.733 weight 1.000 ! spec=Expt_16, no=609, id=1136, vol=4.316046e+07
or ( resid 20 and name HD1) ( resid 20 and name HB2)
or ( resid 20 and name HD2) ( resid 20 and name HB2)
assign ( resid 20 and name HE1) ( resid 20 and name HB2) 4.238 2.245 2.245 weight 1.000 ! spec=Expt_16, no=613, id=1139, vol=5.195588e+06
or ( resid 20 and name HE2) ( resid 20 and name HB2)
assign ( resid 5 and name HD2) ( resid 27 and name HD1) 3.174 1.260 1.260 weight 1.000 ! spec=Expt_16, no=615, id=1140, vol=9.778600e+06
or ( resid 5 and name HD2) ( resid 27 and name HD2)
assign ( resid 11 and name HB2) ( resid 11 and name HD21) 3.056 1.167 1.167 weight 1.000 ! spec=Expt_16, no=623, id=1147, vol=2.256501e+07
or ( resid 11 and name HB1) ( resid 11 and name HD21)
or ( resid 27 and name HE2) ( resid 4 and name HA)
assign ( resid 8 and name HD1) ( resid 20 and name HD1) 2.908 1.057 1.057 weight 1.000 ! spec=Expt_16, no=629, id=1152, vol=1.351235e+07
or ( resid 23 and name HB2) ( resid 20 and name HD1)
or ( resid 8 and name HD1) ( resid 20 and name HD2)
assign ( resid 20 and name HE1) ( resid 8 and name HD1) 3.219 1.295 1.295 weight 1.000 ! spec=Expt_16, no=630, id=1153, vol=6.522989e+06
or ( resid 20 and name HE2) ( resid 8 and name HD1)
assign ( resid 27 and name HE1) ( resid 27 and name H33A) 1.677 0.352 0.352 weight 1.000 ! spec=Expt_16, no=673, id=1176, vol=1.268072e+08
or ( resid 27 and name HE1) ( resid 27 and name H33B)
or ( resid 27 and name HE1) ( resid 27 and name H33)
or ( resid 27 and name HE2) ( resid 27 and name H33A)
or ( resid 27 and name HE2) ( resid 27 and name H33B)
or ( resid 27 and name HE2) ( resid 27 and name H33)
assign ( resid 20 and name HE1) ( resid 20 and name H33A) 1.710 0.366 0.366 weight 1.000 ! spec=Expt_16, no=675, id=1178, vol=9.946877e+07
or ( resid 20 and name HE1) ( resid 20 and name H33)
or ( resid 20 and name HE1) ( resid 20 and name H33B)
or ( resid 20 and name HE2) ( resid 20 and name H33A)
or ( resid 20 and name HE2) ( resid 20 and name H33)
or ( resid 20 and name HE2) ( resid 20 and name H33B)
assign ( resid 34 and name HE1) ( resid 34 and name H33) 1.907 0.455 0.455 weight 1.000 ! spec=Expt_16, no=676, id=1179, vol=1.083445e+08
or ( resid 34 and name HE1) ( resid 34 and name H33B)
or ( resid 34 and name HE1) ( resid 34 and name H33A)
or ( resid 34 and name HE2) ( resid 34 and name H33)
or ( resid 34 and name HE2) ( resid 34 and name H33B)
or ( resid 34 and name HE2) ( resid 34 and name H33A)
assign ( resid 34 and name HD1) ( resid 1 and name HB1) 3.147 1.238 1.238 weight 1.000 ! spec=Expt_16, no=725, id=1214, vol=1.229143e+07
or ( resid 34 and name HE1) ( resid 1 and name HB1)
or ( resid 34 and name HE1) ( resid 1 and name HG2)
assign ( resid 21 and name HN) ( resid 22 and name HB2) 3.154 1.243 1.243 weight 1.000 ! spec=Expt_16, no=760, id=1225, vol=1.696886e+07
or ( resid 21 and name HN) ( resid 22 and name HB1)
or ( resid 21 and name HN) ( resid 22 and name HB3)
or ( resid 21 and name HN) ( resid 24 and name HB1)
assign ( resid 23 and name HN) ( resid 19 and name HG2) 3.613 1.632 1.632 weight 1.000 ! spec=Expt_16, no=765, id=1226, vol=5.649813e+06
or ( resid 23 and name HN) ( resid 19 and name HG1)
or ( resid 23 and name HN) ( resid 25 and name HB3)
or ( resid 23 and name HN) ( resid 25 and name HB2)
or ( resid 23 and name HN) ( resid 25 and name HB1)
or ( resid 23 and name HN) ( resid 26 and name HG2)
assign ( resid 15 and name HN) ( resid 18 and name HB2) 3.616 1.635 1.635 weight 1.000 ! spec=Expt_16, no=767, id=1227, vol=8.491754e+06
or ( resid 15 and name HN) ( resid 18 and name HB1)
or ( resid 15 and name HN) ( resid 18 and name HB3)
or ( resid 24 and name HN) ( resid 25 and name HB3)
or ( resid 24 and name HN) ( resid 25 and name HB2)
or ( resid 24 and name HN) ( resid 25 and name HB1)
assign ( resid 26 and name HN) ( resid 25 and name HB3) 2.414 0.729 0.729 weight 1.000 ! spec=Expt_16, no=768, id=1228, vol=3.912446e+07
or ( resid 26 and name HN) ( resid 25 and name HB2)
or ( resid 26 and name HN) ( resid 25 and name HB1)
or ( resid 26 and name HG2) ( resid 26 and name HN)
assign ( resid 19 and name HN) ( resid 18 and name HB2) 2.504 0.784 0.784 weight 1.000 ! spec=Expt_16, no=772, id=1232, vol=3.474280e+07
or ( resid 19 and name HN) ( resid 18 and name HB1)
or ( resid 19 and name HN) ( resid 18 and name HB3)
or ( resid 19 and name HG2) ( resid 19 and name HN)
assign ( resid 24 and name HN) ( resid 24 and name HD12) 3.453 1.491 1.491 weight 1.000 ! spec=Expt_16, no=815, id=1257, vol=1.343201e+07
or ( resid 24 and name HN) ( resid 24 and name HD13)
or ( resid 24 and name HN) ( resid 24 and name HD11)
or ( resid 24 and name HN) ( resid 24 and name HD21)
or ( resid 24 and name HN) ( resid 24 and name HD22)
or ( resid 24 and name HN) ( resid 24 and name HD23)
assign ( resid 25 and name HN) ( resid 24 and name HD12) 3.574 1.596 1.596 weight 1.000 ! spec=Expt_16, no=816, id=1258, vol=8.359108e+06
or ( resid 25 and name HN) ( resid 24 and name HD13)
or ( resid 25 and name HN) ( resid 24 and name HD11)
or ( resid 25 and name HN) ( resid 24 and name HD21)
or ( resid 25 and name HN) ( resid 24 and name HD22)
or ( resid 25 and name HN) ( resid 24 and name HD23)
assign ( resid 20 and name HD2) ( resid 24 and name HD12) 3.072 1.180 1.180 weight 1.000 ! spec=Expt_16, no=818, id=1260, vol=1.116423e+07
or ( resid 20 and name HD2) ( resid 24 and name HD13)
or ( resid 20 and name HD2) ( resid 24 and name HD11)
or ( resid 20 and name HD2) ( resid 24 and name HD21)
or ( resid 20 and name HD2) ( resid 24 and name HD22)
or ( resid 20 and name HD2) ( resid 24 and name HD23)
assign ( resid 27 and name HD1) ( resid 31 and name HD22) 3.074 0.962 0.962 weight 1.000 ! spec=Expt_16, no=823, id=1264, vol=1.799311e+07
or ( resid 27 and name HD1) ( resid 31 and name HD21)
or ( resid 27 and name HD1) ( resid 31 and name HD23)
or ( resid 27 and name HD2) ( resid 31 and name HD22)
or ( resid 27 and name HD2) ( resid 31 and name HD21)
or ( resid 27 and name HD2) ( resid 31 and name HD23)
assign ( resid 31 and name HD22) ( resid 27 and name HE1) 2.852 0.634 0.634 weight 1.000 ! spec=Expt_16, no=826, id=1267, vol=3.315150e+07
or ( resid 31 and name HD21) ( resid 27 and name HE1)
or ( resid 31 and name HD23) ( resid 27 and name HE1)
or ( resid 31 and name HD22) ( resid 27 and name HE2)
or ( resid 31 and name HD21) ( resid 27 and name HE2)
or ( resid 31 and name HD23) ( resid 27 and name HE2)
assign ( resid 12 and name HN) ( resid 11 and name HB2) 3.553 1.578 1.578 weight 1.000 ! spec=Expt_16, no=830, id=1268, vol=7.473148e+06
or ( resid 12 and name HN) ( resid 11 and name HB1)
assign ( resid 20 and name HN) ( resid 20 and name HB2) 2.649 0.877 0.877 weight 1.000 ! spec=Expt_16, no=856, id=1290, vol=2.392671e+07
or ( resid 34 and name HB1) ( resid 34 and name HN)
assign ( resid 20 and name HD1) ( resid 8 and name HG1) 3.133 1.227 1.227 weight 1.000 ! spec=Expt_16, no=899, id=1316, vol=1.100701e+07
or ( resid 20 and name HD1) ( resid 8 and name HG2)
or ( resid 20 and name HD2) ( resid 8 and name HG2)
assign ( resid 27 and name HD2) ( resid 27 and name H33A) 3.013 0.789 0.789 weight 1.000 ! spec=Expt_16, no=918, id=1325, vol=4.781125e+07
or ( resid 27 and name HD2) ( resid 27 and name H33B)
or ( resid 27 and name HD2) ( resid 27 and name H33)
or ( resid 27 and name HD1) ( resid 27 and name H33A)
or ( resid 27 and name HD1) ( resid 27 and name H33B)
or ( resid 27 and name HD1) ( resid 27 and name H33)
assign ( resid 20 and name HE2) ( resid 24 and name HD21) 2.797 0.978 0.978 weight 1.000 ! spec=Expt_16, no=983, id=1369, vol=1.335718e+07
or ( resid 20 and name HE2) ( resid 24 and name HD22)
or ( resid 20 and name HE2) ( resid 24 and name HD23)
or ( resid 24 and name HD21) ( resid 28 and name HE22)
or ( resid 24 and name HD22) ( resid 28 and name HE22)
or ( resid 24 and name HD23) ( resid 28 and name HE22)
assign ( resid 15 and name HN) ( resid 14 and name HD1) 2.798 0.979 0.979 weight 1.000 ! spec=Expt_16, no=988, id=1374, vol=1.496937e+07
or ( resid 24 and name HN) ( resid 24 and name HA)
assign ( resid 8 and name HA) ( resid 11 and name HN) 3.480 1.513 1.513 weight 1.000 ! spec=Expt_16, no=999, id=1382, vol=9.673013e+06
or ( resid 10 and name HA) ( resid 11 and name HN)
assign ( resid 19 and name HA) ( resid 19 and name HN) 2.681 0.899 0.899 weight 1.000 ! spec=Expt_16, no=1024, id=1401, vol=2.561350e+07
or ( resid 16 and name HA) ( resid 19 and name HN)
assign ( resid 19 and name HA) ( resid 20 and name HN) 2.439 0.744 0.744 weight 1.000 ! spec=Expt_16, no=1028, id=1403, vol=4.529244e+07
or ( resid 22 and name HN) ( resid 22 and name HA)
or ( resid 34 and name HA) ( resid 34 and name HN)
assign ( resid 29 and name HA) ( resid 29 and name HN) 2.744 0.941 0.941 weight 1.000 ! spec=Expt_16, no=1036, id=1408, vol=2.168020e+07
or ( resid 29 and name HN) ( resid 26 and name HA)
assign ( resid 27 and name HD1) ( resid 4 and name HG1) 3.733 1.742 1.742 weight 1.000 ! spec=Expt_16, no=1092, id=1454, vol=7.539658e+06
or ( resid 27 and name HD2) ( resid 4 and name HG1)
assign ( resid 28 and name HG1) ( resid 24 and name HD12) 3.676 1.689 1.689 weight 1.000 ! spec=Expt_16, no=1099, id=1459, vol=5.943298e+06
or ( resid 28 and name HG1) ( resid 24 and name HD13)
or ( resid 28 and name HG1) ( resid 24 and name HD11)
or ( resid 28 and name HG1) ( resid 24 and name HD21)
or ( resid 28 and name HG1) ( resid 24 and name HD22)
or ( resid 28 and name HG1) ( resid 24 and name HD23)
assign ( resid 8 and name HD1) ( resid 17 and name HD13) 3.952 1.953 1.953 weight 1.000 ! spec=Expt_16, no=1104, id=1464, vol=4.822831e+06
or ( resid 8 and name HD1) ( resid 17 and name HD12)
or ( resid 8 and name HD1) ( resid 17 and name HD11)
or ( resid 11 and name HB2) ( resid 17 and name HD13)
or ( resid 11 and name HB2) ( resid 17 and name HD12)
or ( resid 11 and name HB2) ( resid 17 and name HD11)
assign ( resid 20 and name HD1) ( resid 8 and name HG1) 2.965 1.099 1.099 weight 1.000 ! spec=Expt_16, no=1127, id=1485, vol=1.791236e+07
or ( resid 20 and name HD1) ( resid 8 and name HG2)
or ( resid 20 and name HD2) ( resid 8 and name HG2)
or ( resid 34 and name HD2) ( resid 2 and name HG2)
assign ( resid 20 and name HD1) ( resid 5 and name HG2) 3.862 1.865 1.865 weight 1.000 ! spec=Expt_16, no=1128, id=1486, vol=6.168491e+06
or ( resid 20 and name HD1) ( resid 24 and name HB1)
or ( resid 20 and name HD2) ( resid 24 and name HB1)
assign ( resid 7 and name HN) ( resid 7 and name HD2) 3.243 1.315 1.315 weight 1.000 ! spec=Expt_6, no=10, id=7, vol=1.396753e+07
or ( resid 11 and name HN) ( resid 13 and name HG22)
or ( resid 11 and name HN) ( resid 13 and name HG21)
or ( resid 11 and name HN) ( resid 13 and name HG23)
assign ( resid 34 and name HD1) ( resid 34 and name HB2) 2.581 0.832 0.832 weight 1.000 ! spec=Expt_6, no=120, id=115, vol=1.998351e+07
or ( resid 34 and name HD2) ( resid 34 and name HB2)
assign ( resid 27 and name HD1) ( resid 27 and name HN) 4.023 2.023 2.023 weight 1.000 ! spec=Expt_6, no=132, id=127, vol=2.941382e+06
or ( resid 27 and name HD2) ( resid 27 and name HN)
assign ( resid 20 and name HE2) ( resid 7 and name HA) 2.957 1.093 1.093 weight 1.000 ! spec=Expt_6, no=138, id=133, vol=7.557706e+06
or ( resid 20 and name HE1) ( resid 7 and name HA)
assign ( resid 20 and name HN) ( resid 20 and name HD1) 3.103 1.204 1.204 weight 1.000 ! spec=Expt_6, no=156, id=151, vol=1.399926e+07
or ( resid 20 and name HN) ( resid 20 and name HD2)
or ( resid 34 and name HN) ( resid 34 and name HD1)
or ( resid 34 and name HN) ( resid 34 and name HD2)
assign ( resid 24 and name HD12) ( resid 20 and name H33A) 2.845 0.525 0.525 weight 1.000 ! spec=Expt_6, no=168, id=163, vol=4.904710e+07
or ( resid 24 and name HD12) ( resid 20 and name H33)
or ( resid 24 and name HD12) ( resid 20 and name H33B)
or ( resid 24 and name HD13) ( resid 20 and name H33A)
or ( resid 24 and name HD13) ( resid 20 and name H33)
or ( resid 24 and name HD13) ( resid 20 and name H33B)
or ( resid 24 and name HD11) ( resid 20 and name H33A)
or ( resid 24 and name HD11) ( resid 20 and name H33)
or ( resid 24 and name HD11) ( resid 20 and name H33B)
or ( resid 24 and name HD21) ( resid 20 and name H33A)
or ( resid 24 and name HD21) ( resid 20 and name H33)
or ( resid 24 and name HD21) ( resid 20 and name H33B)
or ( resid 24 and name HD22) ( resid 20 and name H33A)
or ( resid 24 and name HD22) ( resid 20 and name H33)
or ( resid 24 and name HD22) ( resid 20 and name H33B)
or ( resid 24 and name HD23) ( resid 20 and name H33A)
or ( resid 24 and name HD23) ( resid 20 and name H33)
or ( resid 24 and name HD23) ( resid 20 and name H33B)
assign ( resid 11 and name HB2) ( resid 11 and name HD21) 3.396 1.442 1.442 weight 1.000 ! spec=Expt_6, no=221, id=214, vol=7.744346e+06
or ( resid 11 and name HB1) ( resid 11 and name HD21)
assign ( resid 20 and name HD1) ( resid 20 and name HB2) 2.460 0.757 0.757 weight 1.000 ! spec=Expt_6, no=252, id=242, vol=2.033650e+07
or ( resid 34 and name HB1) ( resid 34 and name HD2)
assign ( resid 20 and name HE2) ( resid 20 and name HD2) 2.041 0.521 0.521 weight 1.000 ! spec=Expt_6, no=255, id=245, vol=5.709063e+07
or ( resid 20 and name HD1) ( resid 20 and name HE1)
assign ( resid 8 and name HD1) ( resid 8 and name HG1) 2.806 0.984 0.984 weight 1.000 ! spec=Expt_6, no=269, id=258, vol=7.975742e+06
or ( resid 8 and name HD1) ( resid 8 and name HG2)
assign ( resid 8 and name HG1) ( resid 8 and name HB2) 2.753 0.948 0.948 weight 1.000 ! spec=Expt_6, no=270, id=259, vol=8.918314e+06
or ( resid 8 and name HG2) ( resid 8 and name HB2)
assign ( resid 16 and name HN) ( resid 14 and name HA) 3.993 1.994 1.994 weight 1.000 ! spec=Expt_6, no=290, id=279, vol=1.850110e+06
or ( resid 16 and name HN) ( resid 13 and name HB)
assign ( resid 14 and name HB1) ( resid 14 and name HD2) 3.743 1.751 1.751 weight 1.000 ! spec=Expt_6, no=301, id=289, vol=3.730740e+06
or ( resid 14 and name HB2) ( resid 14 and name HD2)
assign ( resid 14 and name HB1) ( resid 14 and name HD1) 3.344 1.398 1.398 weight 1.000 ! spec=Expt_6, no=303, id=291, vol=3.727827e+06
or ( resid 14 and name HB2) ( resid 14 and name HD1)
assign ( resid 26 and name HB2) ( resid 27 and name HA) 3.417 1.460 1.460 weight 1.000 ! spec=Expt_6, no=343, id=327, vol=5.712441e+06
or ( resid 26 and name HB2) ( resid 23 and name HA)
assign ( resid 26 and name HA) ( resid 26 and name HB2) 2.312 0.668 0.668 weight 1.000 ! spec=Expt_6, no=358, id=340, vol=2.527772e+07
or ( resid 29 and name HA) ( resid 29 and name HB2)
assign ( resid 26 and name HA) ( resid 29 and name HB1) 2.667 0.889 0.889 weight 1.000 ! spec=Expt_6, no=359, id=341, vol=1.532546e+07
or ( resid 29 and name HA) ( resid 29 and name HB1)
assign ( resid 22 and name HN) ( resid 21 and name HB2) 3.039 1.154 1.154 weight 1.000 ! spec=Expt_6, no=449, id=422, vol=7.195586e+06
or ( resid 22 and name HN) ( resid 21 and name HB1)
assign ( resid 8 and name HD2) ( resid 20 and name HD1) 3.113 1.211 1.211 weight 1.000 ! spec=Expt_6, no=455, id=428, vol=6.296179e+06
or ( resid 8 and name HD2) ( resid 20 and name HD2)
assign ( resid 7 and name HG2) ( resid 7 and name HD1) 2.356 0.694 0.694 weight 1.000 ! spec=Expt_6, no=468, id=439, vol=2.285525e+07
or ( resid 7 and name HG1) ( resid 7 and name HD1)
assign ( resid 4 and name HG1) ( resid 4 and name HD2) 2.475 0.766 0.766 weight 1.000 ! spec=Expt_6, no=469, id=440, vol=1.950534e+07
or ( resid 4 and name HG1) ( resid 4 and name HD1)
assign ( resid 7 and name HD2) ( resid 7 and name HG2) 2.518 0.793 0.793 weight 1.000 ! spec=Expt_6, no=472, id=443, vol=1.610825e+07
or ( resid 7 and name HD2) ( resid 7 and name HG1)
assign ( resid 7 and name HA) ( resid 7 and name HG2) 2.942 1.082 1.082 weight 1.000 ! spec=Expt_6, no=476, id=447, vol=5.954653e+06
or ( resid 7 and name HA) ( resid 7 and name HG1)
assign ( resid 1 and name HA) ( resid 1 and name HB2) 3.142 1.234 1.234 weight 1.000 ! spec=Expt_6, no=490, id=460, vol=7.362962e+06
or ( resid 1 and name HA) ( resid 1 and name HG1)
assign ( resid 20 and name HB1) ( resid 18 and name HB2) 3.321 1.379 1.379 weight 1.000 ! spec=Expt_6, no=492, id=462, vol=6.129214e+06
or ( resid 20 and name HB1) ( resid 18 and name HB1)
or ( resid 20 and name HB1) ( resid 18 and name HB3)
or ( resid 20 and name HB1) ( resid 19 and name HG2)
or ( resid 20 and name HB1) ( resid 19 and name HG1)
or ( resid 27 and name HB2) ( resid 25 and name HB3)
or ( resid 27 and name HB2) ( resid 25 and name HB2)
or ( resid 27 and name HB2) ( resid 25 and name HB1)
or ( resid 27 and name HB2) ( resid 26 and name HG1)
assign ( resid 7 and name HE1) ( resid 7 and name HG2) 3.188 1.271 1.271 weight 1.000 ! spec=Expt_6, no=504, id=472, vol=4.074716e+06
or ( resid 7 and name HE1) ( resid 7 and name HG1)
or ( resid 7 and name HE2) ( resid 7 and name HG2)
or ( resid 7 and name HE2) ( resid 7 and name HG1)
assign ( resid 21 and name HB2) ( resid 21 and name HA) 2.687 0.903 0.903 weight 1.000 ! spec=Expt_6, no=512, id=480, vol=1.184109e+07
or ( resid 21 and name HA) ( resid 21 and name HB1)
assign ( resid 15 and name HB1) ( resid 15 and name HA) 2.569 0.825 0.825 weight 1.000 ! spec=Expt_6, no=520, id=488, vol=2.136495e+07
or ( resid 19 and name HB2) ( resid 16 and name HA)
or ( resid 14 and name HB1) ( resid 15 and name HA)
assign ( resid 10 and name HA) ( resid 10 and name HB1) 2.283 0.651 0.651 weight 1.000 ! spec=Expt_6, no=537, id=500, vol=3.259261e+07
or ( resid 30 and name HA) ( resid 33 and name HB1)
assign ( resid 26 and name HB1) ( resid 26 and name HA) 2.778 0.965 0.965 weight 1.000 ! spec=Expt_6, no=573, id=527, vol=1.257879e+07
or ( resid 26 and name HA) ( resid 29 and name HB1)
or ( resid 29 and name HA) ( resid 29 and name HB1)
assign ( resid 8 and name HG2) ( resid 7 and name HA) 3.339 1.393 1.393 weight 1.000 ! spec=Expt_6, no=612, id=552, vol=6.841683e+06
or ( resid 8 and name HG2) ( resid 20 and name HB1)
or ( resid 8 and name HG1) ( resid 7 and name HA)
assign ( resid 1 and name HB1) ( resid 2 and name HD2) 3.615 1.634 1.634 weight 1.000 ! spec=Expt_6, no=613, id=553, vol=5.274972e+06
or ( resid 1 and name HG2) ( resid 2 and name HD2)
assign ( resid 27 and name HN) ( resid 25 and name HB3) 3.254 1.323 1.323 weight 1.000 ! spec=Expt_6, no=619, id=559, vol=6.807561e+06
or ( resid 27 and name HN) ( resid 25 and name HB2)
or ( resid 27 and name HN) ( resid 25 and name HB1)
or ( resid 27 and name HN) ( resid 26 and name HG2)
or ( resid 27 and name HN) ( resid 26 and name HG1)
assign ( resid 18 and name HN) ( resid 16 and name HA) 2.769 0.958 0.958 weight 1.000 ! spec=Expt_6, no=633, id=573, vol=1.039225e+07
or ( resid 17 and name HA) ( resid 18 and name HN)
assign ( resid 16 and name HN) ( resid 15 and name HA) 2.605 0.849 0.849 weight 1.000 ! spec=Expt_6, no=640, id=580, vol=1.427865e+07
or ( resid 16 and name HA) ( resid 16 and name HN)
assign ( resid 4 and name HN) ( resid 27 and name HD2) 3.490 1.523 1.523 weight 1.000 ! spec=Expt_6, no=647, id=587, vol=3.024205e+06
or ( resid 3 and name HN) ( resid 27 and name HD2)
assign ( resid 3 and name HN) ( resid 27 and name HE2) 3.129 1.224 1.224 weight 1.000 ! spec=Expt_6, no=648, id=588, vol=5.170966e+06
or ( resid 4 and name HN) ( resid 27 and name HE2)
assign ( resid 8 and name HD2) ( resid 8 and name HG1) 2.621 0.859 0.859 weight 1.000 ! spec=Expt_6, no=655, id=593, vol=1.259251e+07
or ( resid 8 and name HD2) ( resid 8 and name HG2)
assign ( resid 21 and name HB1) ( resid 21 and name HG2) 2.468 0.761 0.761 weight 1.000 ! spec=Expt_6, no=666, id=604, vol=2.151704e+07
or ( resid 21 and name HG2) ( resid 21 and name HB2)
assign ( resid 33 and name HA) ( resid 33 and name HB1) 2.568 0.824 0.824 weight 1.000 ! spec=Expt_6, no=669, id=607, vol=1.778334e+07
or ( resid 33 and name HA) ( resid 33 and name HB2)
assign ( resid 27 and name HD1) ( resid 4 and name HA) 2.969 1.102 1.102 weight 1.000 ! spec=Expt_6, no=728, id=656, vol=6.638884e+06
or ( resid 27 and name HD2) ( resid 4 and name HA)
assign ( resid 21 and name HB2) ( resid 21 and name HG1) 2.969 1.102 1.102 weight 1.000 ! spec=Expt_6, no=742, id=667, vol=6.734817e+06
or ( resid 21 and name HB1) ( resid 21 and name HG1)
assign ( resid 8 and name HG1) ( resid 8 and name HA) 3.480 1.514 1.514 weight 1.000 ! spec=Expt_6, no=758, id=677, vol=3.184049e+06
or ( resid 8 and name HG2) ( resid 8 and name HA)
assign ( resid 27 and name HD1) ( resid 24 and name HB1) 3.657 1.671 1.671 weight 1.000 ! spec=Expt_6, no=773, id=687, vol=3.245556e+06
or ( resid 27 and name HD2) ( resid 5 and name HG2)
or ( resid 27 and name HE1) ( resid 5 and name HG2)
or ( resid 27 and name HD1) ( resid 5 and name HG2)
assign ( resid 4 and name HA) ( resid 24 and name HN) 5.024 1.925 1.925 weight 1.000 ! spec=Expt_6, no=791, id=698, vol=2.161285e+06
or ( resid 8 and name HD1) ( resid 24 and name HN)
or ( resid 11 and name HB2) ( resid 15 and name HN)
or ( resid 11 and name HB1) ( resid 15 and name HN)
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