NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
616322 | 5lo2 | 34031 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 1: ambig.tbl assign (segid " A" and resid 28 and name HN) (segid " A" and resid 30 and name HN) 3.568 1.591 1.591 weight 1.000 ! spec=Expt_40, no=22, id=20, vol=3.846000e+06 or (segid " A" and resid 28 and name HN) (segid " A" and resid 31 and name HN) assign (segid " A" and resid 33 and name HN) (segid " A" and resid 30 and name HN) 3.570 1.593 1.593 weight 1.000 ! spec=Expt_40, no=23, id=21, vol=3.701899e+06 or (segid " A" and resid 33 and name HN) (segid " A" and resid 31 and name HN) assign (segid " A" and resid 34 and name HN) (segid " A" and resid 33 and name HB1) 3.001 1.126 1.126 weight 1.000 ! spec=Expt_40, no=86, id=67, vol=1.038440e+07 or (segid " A" and resid 34 and name HN) (segid " A" and resid 33 and name HB2) assign (segid " A" and resid 17 and name HN) (segid " A" and resid 17 and name HB1) 2.381 0.709 0.709 weight 1.000 ! spec=Expt_40, no=114, id=91, vol=3.285602e+07 or (segid " A" and resid 18 and name HN) (segid " A" and resid 17 and name HB1) assign (segid " A" and resid 17 and name HN) (segid " A" and resid 16 and name HA) 2.592 0.840 0.840 weight 1.000 ! spec=Expt_40, no=131, id=108, vol=2.236365e+07 or (segid " A" and resid 17 and name HN) (segid " A" and resid 17 and name HA) or (segid " A" and resid 18 and name HN) (segid " A" and resid 17 and name HA) assign (segid " A" and resid 16 and name HN) (segid " A" and resid 15 and name HA) 2.548 0.812 0.812 weight 1.000 ! spec=Expt_40, no=136, id=113, vol=2.310176e+07 or (segid " A" and resid 16 and name HN) (segid " A" and resid 16 and name HA) assign (segid " A" and resid 30 and name HN) (segid " A" and resid 27 and name HA) 3.110 1.209 1.209 weight 1.000 ! spec=Expt_40, no=145, id=121, vol=7.615576e+06 or (segid " A" and resid 31 and name HN) (segid " A" and resid 27 and name HA) assign (segid " A" and resid 30 and name HN) (segid " A" and resid 30 and name HA) 2.641 0.872 0.872 weight 1.000 ! spec=Expt_40, no=146, id=122, vol=2.036184e+07 or (segid " A" and resid 31 and name HN) (segid " A" and resid 30 and name HA) assign (segid " A" and resid 11 and name HN) (segid " A" and resid 11 and name HB1) 2.854 1.018 1.018 weight 1.000 ! spec=Expt_40, no=171, id=146, vol=1.275416e+07 or (segid " A" and resid 11 and name HN) (segid " A" and resid 11 and name HB2) assign (segid " A" and resid 30 and name HN) (segid " A" and resid 30 and name HB2) 2.869 1.029 1.029 weight 1.000 ! spec=Expt_40, no=180, id=153, vol=1.096924e+07 or (segid " A" and resid 31 and name HN) (segid " A" and resid 30 and name HB2) assign (segid " A" and resid 17 and name HN) (segid " A" and resid 17 and name HD21) 3.364 1.415 1.415 weight 1.000 ! spec=Expt_40, no=202, id=171, vol=1.085928e+07 or (segid " A" and resid 17 and name HN) (segid " A" and resid 17 and name HD23) or (segid " A" and resid 17 and name HN) (segid " A" and resid 17 and name HD22) or (segid " A" and resid 18 and name HN) (segid " A" and resid 17 and name HD21) or (segid " A" and resid 18 and name HN) (segid " A" and resid 17 and name HD23) or (segid " A" and resid 18 and name HN) (segid " A" and resid 17 and name HD22) assign (segid " A" and resid 20 and name HN) (segid " A" and resid 20 and name HB1) 2.438 0.743 0.743 weight 1.000 ! spec=Expt_40, no=236, id=199, vol=3.200656e+07 or (segid " A" and resid 34 and name HB2) (segid " A" and resid 34 and name HN) assign (segid " A" and resid 11 and name HD22) (segid " A" and resid 11 and name HB1) 2.454 0.753 0.753 weight 1.000 ! spec=Expt_40, no=240, id=203, vol=2.749970e+07 or (segid " A" and resid 11 and name HD22) (segid " A" and resid 11 and name HB2) assign (segid " A" and resid 17 and name HN) (segid " A" and resid 17 and name HA) 2.591 0.839 0.839 weight 1.000 ! spec=Expt_40, no=275, id=238, vol=2.241378e+07 or (segid " A" and resid 18 and name HN) (segid " A" and resid 17 and name HA) assign (segid " A" and resid 11 and name HB2) (segid " A" and resid 11 and name HD21) 3.629 1.646 1.646 weight 1.000 ! spec=Expt_40, no=304, id=264, vol=7.175836e+06 or (segid " A" and resid 11 and name HB1) (segid " A" and resid 11 and name HD21) assign (segid " A" and resid 21 and name HN) (segid " A" and resid 20 and name HN) 2.467 0.761 0.761 weight 1.000 ! spec=Expt_40, no=417, id=343, vol=2.722090e+07 or (segid " A" and resid 21 and name HN) (segid " A" and resid 22 and name HN) assign (segid " A" and resid 28 and name HG1) (segid " A" and resid 27 and name HD1) 3.686 1.699 1.699 weight 1.000 ! spec=Expt_40, no=433, id=353, vol=6.545236e+06 or (segid " A" and resid 28 and name HG1) (segid " A" and resid 27 and name HD2) or (segid " A" and resid 28 and name HG1) (segid " A" and resid 28 and name HE22) assign (segid " A" and resid 7 and name HA) (segid " A" and resid 7 and name HB1) 2.629 0.864 0.864 weight 1.000 ! spec=Expt_40, no=467, id=380, vol=1.730003e+07 or (segid " A" and resid 5 and name HD2) (segid " A" and resid 5 and name HG1) assign (segid " A" and resid 1 and name HD2) (segid " A" and resid 1 and name HB2) 3.430 1.471 1.471 weight 1.000 ! spec=Expt_40, no=476, id=388, vol=6.799105e+06 or (segid " A" and resid 1 and name HD2) (segid " A" and resid 1 and name HG1) assign (segid " A" and resid 15 and name HB1) (segid " A" and resid 15 and name HA) 2.556 0.817 0.817 weight 1.000 ! spec=Expt_40, no=551, id=459, vol=3.296158e+07 or (segid " A" and resid 19 and name HB1) (segid " A" and resid 16 and name HA) assign (segid " A" and resid 26 and name HB1) (segid " A" and resid 26 and name HA) 2.230 0.622 0.622 weight 1.000 ! spec=Expt_40, no=552, id=460, vol=4.864318e+07 or (segid " A" and resid 29 and name HB1) (segid " A" and resid 29 and name HA) assign (segid " A" and resid 16 and name HA) (segid " A" and resid 19 and name HB2) 2.491 0.775 0.775 weight 1.000 ! spec=Expt_40, no=553, id=461, vol=2.275772e+07 or (segid " A" and resid 25 and name HA) (segid " A" and resid 28 and name HB2) assign (segid " A" and resid 14 and name HB1) (segid " A" and resid 14 and name HD2) 3.696 1.707 1.707 weight 1.000 ! spec=Expt_40, no=575, id=478, vol=5.059276e+06 or (segid " A" and resid 15 and name HB1) (segid " A" and resid 14 and name HD2) assign (segid " A" and resid 24 and name HD13) (segid " A" and resid 24 and name HB2) 3.091 1.195 1.195 weight 1.000 ! spec=Expt_40, no=613, id=510, vol=1.340395e+07 or (segid " A" and resid 24 and name HD12) (segid " A" and resid 24 and name HB2) or (segid " A" and resid 24 and name HD11) (segid " A" and resid 24 and name HB2) or (segid " A" and resid 31 and name HD11) (segid " A" and resid 31 and name HB1) or (segid " A" and resid 31 and name HD13) (segid " A" and resid 31 and name HB1) or (segid " A" and resid 31 and name HD12) (segid " A" and resid 31 and name HB1) assign (segid " A" and resid 32 and name HN) (segid " A" and resid 31 and name HN) 2.486 0.772 0.772 weight 1.000 ! spec=Expt_41, no=18, id=534, vol=4.289036e+07 or (segid " A" and resid 30 and name HN) (segid " A" and resid 29 and name HN) assign (segid " A" and resid 34 and name HD1) (segid " A" and resid 34 and name HN) 3.060 1.170 1.170 weight 1.000 ! spec=Expt_41, no=41, id=555, vol=3.523913e+07 or (segid " A" and resid 34 and name HD2) (segid " A" and resid 34 and name HN) or (segid " A" and resid 20 and name HD1) (segid " A" and resid 20 and name HN) or (segid " A" and resid 20 and name HD2) (segid " A" and resid 20 and name HN) assign (segid " A" and resid 12 and name HN) (segid " A" and resid 11 and name HD22) 3.892 1.894 1.894 weight 1.000 ! spec=Expt_41, no=42, id=556, vol=7.972998e+06 or (segid " A" and resid 12 and name HN) (segid " A" and resid 13 and name HN) assign (segid " A" and resid 30 and name HN) (segid " A" and resid 26 and name HA) 2.944 1.083 1.083 weight 1.000 ! spec=Expt_41, no=79, id=584, vol=2.132325e+07 or (segid " A" and resid 30 and name HN) (segid " A" and resid 29 and name HA) or (segid " A" and resid 31 and name HN) (segid " A" and resid 29 and name HA) assign (segid " A" and resid 28 and name HG1) (segid " A" and resid 31 and name HN) 3.381 1.429 1.429 weight 1.000 ! spec=Expt_41, no=84, id=588, vol=1.740250e+07 or (segid " A" and resid 33 and name HB1) (segid " A" and resid 30 and name HN) or (segid " A" and resid 33 and name HB1) (segid " A" and resid 31 and name HN) or (segid " A" and resid 33 and name HB2) (segid " A" and resid 30 and name HN) or (segid " A" and resid 33 and name HB2) (segid " A" and resid 31 and name HN) assign (segid " A" and resid 21 and name HG2) (segid " A" and resid 21 and name HE21) 3.766 1.773 1.773 weight 1.000 ! spec=Expt_41, no=105, id=607, vol=1.305612e+07 or (segid " A" and resid 21 and name HG1) (segid " A" and resid 21 and name HE21) assign (segid " A" and resid 14 and name HA) (segid " A" and resid 17 and name HN) 2.441 0.745 0.745 weight 1.000 ! spec=Expt_41, no=176, id=671, vol=5.475820e+07 or (segid " A" and resid 18 and name HN) (segid " A" and resid 18 and name HA) assign (segid " A" and resid 19 and name HA) (segid " A" and resid 20 and name HN) 2.923 1.068 1.068 weight 1.000 ! spec=Expt_41, no=183, id=677, vol=1.847086e+07 or (segid " A" and resid 19 and name HA) (segid " A" and resid 22 and name HN) assign (segid " A" and resid 20 and name HN) (segid " A" and resid 17 and name HA) 2.741 0.939 0.939 weight 1.000 ! spec=Expt_41, no=189, id=681, vol=3.100705e+07 or (segid " A" and resid 34 and name HN) (segid " A" and resid 34 and name HA) assign (segid " A" and resid 29 and name HA) (segid " A" and resid 29 and name HN) 2.358 0.695 0.695 weight 1.000 ! spec=Expt_41, no=195, id=687, vol=6.362777e+07 or (segid " A" and resid 32 and name HN) (segid " A" and resid 32 and name HA) assign (segid " A" and resid 27 and name HD1) (segid " A" and resid 3 and name HB) 3.457 1.494 1.494 weight 1.000 ! spec=Expt_41, no=202, id=694, vol=1.316737e+07 or (segid " A" and resid 27 and name HD2) (segid " A" and resid 3 and name HB) or (segid " A" and resid 27 and name HD1) (segid " A" and resid 24 and name HA) or (segid " A" and resid 27 and name HD2) (segid " A" and resid 24 and name HA) assign (segid " A" and resid 7 and name HA) (segid " A" and resid 20 and name HD1) 4.002 1.282 1.282 weight 1.000 ! spec=Expt_41, no=210, id=702, vol=1.285211e+07 or (segid " A" and resid 7 and name HA) (segid " A" and resid 20 and name HD2) or (segid " A" and resid 5 and name HA) (segid " A" and resid 20 and name HD1) or (segid " A" and resid 5 and name HA) (segid " A" and resid 20 and name HD2) or (segid " A" and resid 1 and name HD2) (segid " A" and resid 34 and name HD1) or (segid " A" and resid 1 and name HD2) (segid " A" and resid 34 and name HD2) assign (segid " A" and resid 20 and name HB1) (segid " A" and resid 20 and name HD1) 2.262 0.640 0.640 weight 1.000 ! spec=Expt_41, no=218, id=710, vol=7.325562e+07 or (segid " A" and resid 20 and name HB1) (segid " A" and resid 20 and name HD2) or (segid " A" and resid 34 and name HD1) (segid " A" and resid 34 and name HB2) or (segid " A" and resid 34 and name HD2) (segid " A" and resid 34 and name HB2) assign (segid " A" and resid 11 and name HB1) (segid " A" and resid 12 and name HN) 3.613 1.632 1.632 weight 1.000 ! spec=Expt_41, no=234, id=721, vol=1.150230e+07 or (segid " A" and resid 11 and name HB2) (segid " A" and resid 12 and name HN) assign (segid " A" and resid 33 and name HN) (segid " A" and resid 33 and name HB1) 2.480 0.769 0.769 weight 1.000 ! spec=Expt_41, no=241, id=726, vol=4.854184e+07 or (segid " A" and resid 33 and name HN) (segid " A" and resid 33 and name HB2) assign (segid " A" and resid 29 and name HN) (segid " A" and resid 28 and name HB2) 2.482 0.770 0.770 weight 1.000 ! spec=Expt_41, no=275, id=753, vol=3.350354e+07 or (segid " A" and resid 29 and name HN) (segid " A" and resid 29 and name HB2) assign (segid " A" and resid 34 and name HE1) (segid " A" and resid 1 and name HB2) 3.653 1.243 1.243 weight 1.000 ! spec=Expt_41, no=290, id=765, vol=1.157109e+07 or (segid " A" and resid 34 and name HE2) (segid " A" and resid 1 and name HB2) or (segid " A" and resid 34 and name HE1) (segid " A" and resid 1 and name HG1) or (segid " A" and resid 34 and name HE2) (segid " A" and resid 1 and name HG1) assign (segid " A" and resid 27 and name HN) (segid " A" and resid 25 and name HB1) 3.401 1.445 1.445 weight 1.000 ! spec=Expt_41, no=303, id=776, vol=1.255871e+07 or (segid " A" and resid 27 and name HN) (segid " A" and resid 25 and name HB2) or (segid " A" and resid 27 and name HN) (segid " A" and resid 25 and name HB3) or (segid " A" and resid 27 and name HN) (segid " A" and resid 26 and name HG1) or (segid " A" and resid 27 and name HN) (segid " A" and resid 26 and name HG2) assign (segid " A" and resid 20 and name HN) (segid " A" and resid 18 and name HB3) 3.250 1.320 1.320 weight 1.000 ! spec=Expt_41, no=304, id=777, vol=1.479512e+07 or (segid " A" and resid 20 and name HN) (segid " A" and resid 18 and name HB1) or (segid " A" and resid 20 and name HN) (segid " A" and resid 18 and name HB2) or (segid " A" and resid 20 and name HN) (segid " A" and resid 19 and name HG1) or (segid " A" and resid 20 and name HN) (segid " A" and resid 19 and name HG2) or (segid " A" and resid 22 and name HN) (segid " A" and resid 18 and name HB3) or (segid " A" and resid 22 and name HN) (segid " A" and resid 18 and name HB1) or (segid " A" and resid 22 and name HN) (segid " A" and resid 18 and name HB2) or (segid " A" and resid 34 and name HN) (segid " A" and resid 32 and name HB3) or (segid " A" and resid 34 and name HN) (segid " A" and resid 32 and name HB1) or (segid " A" and resid 34 and name HN) (segid " A" and resid 32 and name HB2) assign (segid " A" and resid 31 and name HN) (segid " A" and resid 31 and name HB2) 3.128 1.223 1.223 weight 1.000 ! spec=Expt_41, no=311, id=783, vol=2.752271e+07 or (segid " A" and resid 31 and name HN) (segid " A" and resid 32 and name HB3) or (segid " A" and resid 31 and name HN) (segid " A" and resid 32 and name HB1) or (segid " A" and resid 31 and name HN) (segid " A" and resid 32 and name HB2) assign (segid " A" and resid 17 and name HN) (segid " A" and resid 12 and name HB1) 3.338 1.392 1.392 weight 1.000 ! spec=Expt_41, no=316, id=787, vol=1.217959e+07 or (segid " A" and resid 17 and name HN) (segid " A" and resid 12 and name HB2) or (segid " A" and resid 17 and name HN) (segid " A" and resid 12 and name HB3) or (segid " A" and resid 28 and name HN) (segid " A" and resid 31 and name HB1) assign (segid " A" and resid 29 and name HN) (segid " A" and resid 24 and name HD21) 3.390 1.436 1.436 weight 1.000 ! spec=Expt_41, no=332, id=803, vol=1.321325e+07 or (segid " A" and resid 29 and name HN) (segid " A" and resid 24 and name HD22) or (segid " A" and resid 29 and name HN) (segid " A" and resid 24 and name HD23) or (segid " A" and resid 32 and name HN) (segid " A" and resid 31 and name HD21) or (segid " A" and resid 32 and name HN) (segid " A" and resid 31 and name HD22) or (segid " A" and resid 32 and name HN) (segid " A" and resid 31 and name HD23) assign (segid " A" and resid 17 and name HN) (segid " A" and resid 17 and name HD13) 3.225 1.300 1.300 weight 1.000 ! spec=Expt_41, no=354, id=825, vol=1.773763e+07 or (segid " A" and resid 17 and name HN) (segid " A" and resid 17 and name HD11) or (segid " A" and resid 17 and name HN) (segid " A" and resid 17 and name HD12) or (segid " A" and resid 18 and name HN) (segid " A" and resid 17 and name HD13) or (segid " A" and resid 18 and name HN) (segid " A" and resid 17 and name HD11) or (segid " A" and resid 18 and name HN) (segid " A" and resid 17 and name HD12) assign (segid " A" and resid 21 and name HE22) (segid " A" and resid 21 and name HG2) 2.564 0.822 0.822 weight 1.000 ! spec=Expt_41, no=370, id=839, vol=2.943145e+07 or (segid " A" and resid 21 and name HE22) (segid " A" and resid 21 and name HG1) assign (segid " A" and resid 21 and name HG1) (segid " A" and resid 21 and name HA) 2.649 0.877 0.877 weight 1.000 ! spec=Expt_41, no=453, id=918, vol=3.374142e+07 or (segid " A" and resid 21 and name HG2) (segid " A" and resid 21 and name HA) assign (segid " A" and resid 11 and name HB1) (segid " A" and resid 11 and name HA) 2.309 0.667 0.667 weight 1.000 ! spec=Expt_41, no=465, id=930, vol=8.159458e+07 or (segid " A" and resid 11 and name HB2) (segid " A" and resid 11 and name HA) assign (segid " A" and resid 33 and name HB1) (segid " A" and resid 33 and name HA) 2.528 0.799 0.799 weight 1.000 ! spec=Expt_41, no=470, id=935, vol=5.051369e+07 or (segid " A" and resid 33 and name HB2) (segid " A" and resid 33 and name HA) assign (segid " A" and resid 30 and name HA) (segid " A" and resid 33 and name HB1) 2.747 0.943 0.943 weight 1.000 ! spec=Expt_41, no=473, id=936, vol=2.894640e+07 or (segid " A" and resid 30 and name HA) (segid " A" and resid 33 and name HB2) assign (segid " A" and resid 21 and name HB1) (segid " A" and resid 18 and name HA) 3.746 1.755 1.755 weight 1.000 ! spec=Expt_41, no=480, id=943, vol=1.367810e+07 or (segid " A" and resid 21 and name HB1) (segid " A" and resid 22 and name HA) assign (segid " A" and resid 19 and name HG2) (segid " A" and resid 19 and name HA) 2.033 0.516 0.516 weight 1.000 ! spec=Expt_41, no=497, id=960, vol=1.155587e+08 or (segid " A" and resid 25 and name HB1) (segid " A" and resid 25 and name HA) or (segid " A" and resid 25 and name HB2) (segid " A" and resid 25 and name HA) or (segid " A" and resid 25 and name HB3) (segid " A" and resid 25 and name HA) assign (segid " A" and resid 18 and name HB3) (segid " A" and resid 15 and name HA) 3.013 1.089 1.089 weight 1.000 ! spec=Expt_41, no=498, id=961, vol=5.581042e+07 or (segid " A" and resid 18 and name HB1) (segid " A" and resid 15 and name HA) or (segid " A" and resid 18 and name HB2) (segid " A" and resid 15 and name HA) or (segid " A" and resid 18 and name HB3) (segid " A" and resid 16 and name HA) or (segid " A" and resid 18 and name HB1) (segid " A" and resid 16 and name HA) or (segid " A" and resid 18 and name HB2) (segid " A" and resid 16 and name HA) or (segid " A" and resid 19 and name HG1) (segid " A" and resid 16 and name HA) or (segid " A" and resid 19 and name HG2) (segid " A" and resid 16 and name HA) assign (segid " A" and resid 28 and name HA) (segid " A" and resid 24 and name HD13) 3.877 1.879 1.879 weight 1.000 ! spec=Expt_41, no=530, id=991, vol=7.858335e+06 or (segid " A" and resid 28 and name HA) (segid " A" and resid 24 and name HD12) or (segid " A" and resid 28 and name HA) (segid " A" and resid 24 and name HD11) or (segid " A" and resid 28 and name HA) (segid " A" and resid 31 and name HD11) or (segid " A" and resid 28 and name HA) (segid " A" and resid 31 and name HD13) or (segid " A" and resid 28 and name HA) (segid " A" and resid 31 and name HD12) assign (segid " A" and resid 23 and name HA) (segid " A" and resid 25 and name HB1) 3.083 1.188 1.188 weight 1.000 ! spec=Expt_41, no=546, id=1005, vol=1.569774e+07 or (segid " A" and resid 23 and name HA) (segid " A" and resid 25 and name HB2) or (segid " A" and resid 23 and name HA) (segid " A" and resid 25 and name HB3) or (segid " A" and resid 23 and name HA) (segid " A" and resid 26 and name HG1) or (segid " A" and resid 27 and name HA) (segid " A" and resid 26 and name HG1) or (segid " A" and resid 33 and name HA) (segid " A" and resid 32 and name HB3) or (segid " A" and resid 33 and name HA) (segid " A" and resid 32 and name HB1) or (segid " A" and resid 33 and name HA) (segid " A" and resid 32 and name HB2) assign (segid " A" and resid 14 and name HG1) (segid " A" and resid 13 and name HA) 4.246 2.253 2.253 weight 1.000 ! spec=Expt_41, no=551, id=1010, vol=1.124181e+07 or (segid " A" and resid 16 and name HB2) (segid " A" and resid 13 and name HA) assign (segid " A" and resid 14 and name HB1) (segid " A" and resid 13 and name HA) 4.120 2.121 2.121 weight 1.000 ! spec=Expt_41, no=552, id=1011, vol=6.785771e+06 or (segid " A" and resid 15 and name HB1) (segid " A" and resid 13 and name HA) or (segid " A" and resid 19 and name HB1) (segid " A" and resid 20 and name HA) assign (segid " A" and resid 26 and name HB1) (segid " A" and resid 23 and name HA) 3.363 1.414 1.414 weight 1.000 ! spec=Expt_41, no=554, id=1013, vol=1.219269e+07 or (segid " A" and resid 26 and name HB1) (segid " A" and resid 27 and name HA) assign (segid " A" and resid 27 and name HB2) (segid " A" and resid 24 and name HD21) 2.843 1.010 1.010 weight 1.000 ! spec=Expt_41, no=582, id=1038, vol=2.607501e+07 or (segid " A" and resid 27 and name HB2) (segid " A" and resid 24 and name HD22) or (segid " A" and resid 27 and name HB2) (segid " A" and resid 24 and name HD23) or (segid " A" and resid 34 and name HB2) (segid " A" and resid 31 and name HD21) or (segid " A" and resid 34 and name HB2) (segid " A" and resid 31 and name HD22) or (segid " A" and resid 34 and name HB2) (segid " A" and resid 31 and name HD23) assign (segid " A" and resid 20 and name HN) (segid " A" and resid 21 and name HG2) 3.910 1.911 1.911 weight 1.000 ! spec=Expt_41, no=600, id=1054, vol=9.859130e+06 or (segid " A" and resid 22 and name HN) (segid " A" and resid 21 and name HG2) or (segid " A" and resid 22 and name HN) (segid " A" and resid 21 and name HG1) assign (segid " A" and resid 21 and name HG1) (segid " A" and resid 21 and name HB2) 2.454 0.753 0.753 weight 1.000 ! 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spec=Expt_40, no=185, id=156, vol=1.403921e+07 assign (segid " A" and resid 15 and name HN) (segid " A" and resid 15 and name HB1) 2.502 0.782 0.782 weight 1.000 ! spec=Expt_40, no=186, id=157, vol=2.429863e+07 assign (segid " A" and resid 24 and name HN) (segid " A" and resid 24 and name HB1) 2.572 0.827 0.827 weight 1.000 ! spec=Expt_40, no=188, id=159, vol=2.061721e+07 assign (segid " A" and resid 31 and name HN) (segid " A" and resid 31 and name HB2) 2.998 1.123 1.123 weight 1.000 ! spec=Expt_40, no=192, id=161, vol=1.815118e+07 assign (segid " A" and resid 4 and name HN) (segid " A" and resid 4 and name HB2) 2.726 0.929 0.929 weight 1.000 ! spec=Expt_40, no=194, id=163, vol=1.767782e+07 assign (segid " A" and resid 4 and name HN) (segid " A" and resid 4 and name HB1) 2.699 0.911 0.911 weight 1.000 ! spec=Expt_40, no=195, id=164, vol=1.554790e+07 assign (segid " A" and resid 24 and name HN) (segid " A" and resid 24 and name HD13) 3.039 1.154 1.154 weight 1.000 ! spec=Expt_40, no=198, id=167, vol=1.902084e+07 or (segid " A" and resid 24 and name HN) (segid " A" and resid 24 and name HD12) or (segid " A" and resid 24 and name HN) (segid " A" and resid 24 and name HD11) assign (segid " A" and resid 31 and name HN) (segid " A" and resid 31 and name HD11) 3.050 1.163 1.163 weight 1.000 ! spec=Expt_40, no=199, id=168, vol=1.896601e+07 or (segid " A" and resid 31 and name HN) (segid " A" and resid 31 and name HD13) or (segid " A" and resid 31 and name HN) (segid " A" and resid 31 and name HD12) assign (segid " A" and resid 7 and name HN) (segid " A" and resid 7 and name HB2) 3.083 1.188 1.188 weight 1.000 ! spec=Expt_40, no=205, id=174, vol=1.925727e+07 assign (segid " A" and resid 10 and name HN) (segid " A" and resid 10 and name HB1) 2.623 0.860 0.860 weight 1.000 ! spec=Expt_40, no=213, id=179, vol=1.709522e+07 assign (segid " A" and resid 10 and name HN) (segid " A" and resid 10 and name HB2) 2.873 1.032 1.032 weight 1.000 ! spec=Expt_40, no=217, id=181, vol=1.343684e+07 assign (segid " A" and resid 28 and name HN) (segid " A" and resid 28 and name HG2) 3.529 1.556 1.556 weight 1.000 ! spec=Expt_40, no=220, id=184, vol=9.458972e+06 assign (segid " A" and resid 11 and name HN) (segid " A" and resid 11 and name HB1) 2.911 1.059 1.059 weight 1.000 ! spec=Expt_40, no=230, id=193, vol=1.015324e+07 assign (segid " A" and resid 20 and name HB1) (segid " A" and resid 21 and name HN) 3.640 1.656 1.656 weight 1.000 ! spec=Expt_40, no=234, id=197, vol=6.947971e+06 assign (segid " A" and resid 21 and name HB1) (segid " A" and resid 21 and name HN) 3.268 1.335 1.335 weight 1.000 ! spec=Expt_40, no=242, id=205, vol=1.358580e+07 assign (segid " A" and resid 28 and name HN) (segid " A" and resid 27 and name HB2) 3.557 1.581 1.581 weight 1.000 ! spec=Expt_40, no=250, id=213, vol=6.923765e+06 assign (segid " A" and resid 28 and name HN) (segid " A" and resid 28 and name HA) 2.700 0.911 0.911 weight 1.000 ! spec=Expt_40, no=251, id=214, vol=1.602817e+07 assign (segid " A" and resid 27 and name HN) (segid " A" and resid 27 and name HB2) 2.572 0.827 0.827 weight 1.000 ! spec=Expt_40, no=254, id=217, vol=1.973232e+07 assign (segid " A" and resid 21 and name HN) (segid " A" and resid 21 and name HA) 2.705 0.915 0.915 weight 1.000 ! spec=Expt_40, no=255, id=218, vol=1.646582e+07 assign (segid " A" and resid 3 and name HN) (segid " A" and resid 3 and name HA) 2.969 1.102 1.102 weight 1.000 ! spec=Expt_40, no=261, id=224, vol=9.681728e+06 assign (segid " A" and resid 6 and name HN) (segid " A" and resid 6 and name HA) 2.676 0.895 0.895 weight 1.000 ! spec=Expt_40, no=265, id=228, vol=1.851845e+07 assign (segid " A" and resid 6 and name HB) (segid " A" and resid 7 and name HN) 3.049 1.162 1.162 weight 1.000 ! spec=Expt_40, no=269, id=232, vol=1.133526e+07 assign (segid " A" and resid 10 and name HN) (segid " A" and resid 9 and name HA2) 2.722 0.926 0.926 weight 1.000 ! spec=Expt_40, no=273, id=236, vol=1.570561e+07 assign (segid " A" and resid 9 and name HN) (segid " A" and resid 9 and name HA1) 2.734 0.934 0.934 weight 1.000 ! spec=Expt_40, no=277, id=240, vol=1.684509e+07 assign (segid " A" and resid 19 and name HN) (segid " A" and resid 19 and name HA) 2.582 0.833 0.833 weight 1.000 ! spec=Expt_40, no=283, id=246, vol=2.248748e+07 assign (segid " A" and resid 25 and name HN) (segid " A" and resid 25 and name HA) 2.602 0.846 0.846 weight 1.000 ! spec=Expt_40, no=289, id=252, vol=2.108208e+07 assign (segid " A" and resid 29 and name HA) (segid " A" and resid 29 and name HN) 2.466 0.760 0.760 weight 1.000 ! spec=Expt_40, no=291, id=254, vol=2.932947e+07 assign (segid " A" and resid 28 and name HA) (segid " A" and resid 27 and name HD1) 3.382 1.430 1.430 weight 1.000 ! spec=Expt_40, no=306, id=266, vol=6.180899e+06 or (segid " A" and resid 28 and name HA) (segid " A" and resid 27 and name HD2) assign (segid " A" and resid 4 and name HG1) (segid " A" and resid 4 and name HN) 3.172 1.257 1.257 weight 1.000 ! spec=Expt_40, no=318, id=271, vol=6.764714e+06 assign (segid " A" and resid 14 and name HD2) (segid " A" and resid 13 and name HB) 2.467 0.761 0.761 weight 1.000 ! spec=Expt_40, no=359, id=298, vol=2.254562e+07 assign (segid " A" and resid 14 and name HD1) (segid " A" and resid 13 and name HB) 3.100 1.201 1.201 weight 1.000 ! spec=Expt_40, no=360, id=299, vol=1.581462e+07 assign (segid " A" and resid 14 and name HD1) (segid " A" and resid 13 and name HA) 2.116 0.560 0.560 weight 1.000 ! spec=Expt_40, no=365, id=302, vol=5.693288e+07 assign (segid " A" and resid 14 and name HD2) (segid " A" and resid 13 and name HA) 2.651 0.878 0.878 weight 1.000 ! spec=Expt_40, no=366, id=303, vol=3.009741e+07 assign (segid " A" and resid 20 and name HB1) (segid " A" and resid 20 and name HA) 2.576 0.829 0.829 weight 1.000 ! spec=Expt_40, no=370, id=305, vol=2.029541e+07 assign (segid " A" and resid 20 and name HB2) (segid " A" and resid 20 and name HA) 3.267 1.334 1.334 weight 1.000 ! spec=Expt_40, no=371, id=306, vol=7.808862e+06 assign (segid " A" and resid 23 and name HB2) (segid " A" and resid 20 and name HA) 3.064 1.174 1.174 weight 1.000 ! spec=Expt_40, no=372, id=307, vol=7.440532e+06 assign (segid " A" and resid 6 and name HA) (segid " A" and resid 6 and name HG23) 2.447 0.748 0.748 weight 1.000 ! spec=Expt_40, no=378, id=311, vol=4.922907e+07 or (segid " A" and resid 6 and name HA) (segid " A" and resid 6 and name HG22) or (segid " A" and resid 6 and name HA) (segid " A" and resid 6 and name HG21) assign (segid " A" and resid 8 and name HD2) (segid " A" and resid 8 and name HD1) 2.071 0.536 0.536 weight 1.000 ! spec=Expt_40, no=392, id=324, vol=5.199521e+07 assign (segid " A" and resid 5 and name HD1) (segid " A" and resid 5 and name HD2) 1.932 0.467 0.467 weight 1.000 ! spec=Expt_40, no=393, id=325, vol=8.165619e+07 assign (segid " A" and resid 34 and name HB2) (segid " A" and resid 34 and name HA) 2.421 0.733 0.733 weight 1.000 ! spec=Expt_40, no=397, id=328, vol=3.217556e+07 assign (segid " A" and resid 15 and name HG1) (segid " A" and resid 15 and name HA) 2.899 1.051 1.051 weight 1.000 ! spec=Expt_40, no=398, id=329, vol=1.362205e+07 assign (segid " A" and resid 20 and name HB2) (segid " A" and resid 17 and name HA) 2.784 0.969 0.969 weight 1.000 ! spec=Expt_40, no=404, id=332, vol=1.240769e+07 assign (segid " A" and resid 27 and name HB1) (segid " A" and resid 24 and name HA) 2.828 1.000 1.000 weight 1.000 ! spec=Expt_40, no=405, id=333, vol=1.244086e+07 assign (segid " A" and resid 27 and name HB2) (segid " A" and resid 24 and name HA) 2.716 0.922 0.922 weight 1.000 ! spec=Expt_40, no=406, id=334, vol=1.516378e+07 assign (segid " A" and resid 34 and name HB2) (segid " A" and resid 31 and name HA) 3.343 1.157 1.157 weight 1.000 ! spec=Expt_40, no=407, id=335, vol=9.023076e+06 assign (segid " A" and resid 34 and name HB1) (segid " A" and resid 31 and name HA) 3.041 1.156 1.156 weight 1.000 ! spec=Expt_40, no=408, id=336, vol=7.652072e+06 assign (segid " A" and resid 14 and name HG2) (segid " A" and resid 14 and name HD2) 3.097 1.199 1.199 weight 1.000 ! spec=Expt_40, no=410, id=338, vol=1.361390e+07 assign (segid " A" and resid 33 and name HN) (segid " A" and resid 34 and name HN) 2.580 0.832 0.832 weight 1.000 ! spec=Expt_40, no=415, id=342, vol=2.196123e+07 assign (segid " A" and resid 25 and name HN) (segid " A" and resid 26 and name HN) 2.610 0.851 0.851 weight 1.000 ! spec=Expt_40, no=418, id=344, vol=1.989306e+07 assign (segid " A" and resid 28 and name HE21) (segid " A" and resid 28 and name HG2) 3.351 1.403 1.403 weight 1.000 ! spec=Expt_40, no=432, id=352, vol=7.120530e+06 assign (segid " A" and resid 28 and name HG2) (segid " A" and resid 28 and name HE22) 3.608 1.627 1.627 weight 1.000 ! spec=Expt_40, no=434, id=354, vol=6.123927e+06 assign (segid " A" and resid 8 and name HA) (segid " A" and resid 8 and name HB1) 2.741 0.939 0.939 weight 1.000 ! spec=Expt_40, no=445, id=364, vol=2.024288e+07 assign (segid " A" and resid 8 and name HG2) (segid " A" and resid 8 and name HD2) 2.992 1.119 1.119 weight 1.000 ! spec=Expt_40, no=448, id=366, vol=1.488981e+07 assign (segid " A" and resid 8 and name HD2) (segid " A" and resid 7 and name HA) 2.451 0.751 0.751 weight 1.000 ! spec=Expt_40, no=450, id=368, vol=3.028013e+07 assign (segid " A" and resid 8 and name HD2) (segid " A" and resid 8 and name HB1) 3.307 1.367 1.367 weight 1.000 ! spec=Expt_40, no=453, id=370, vol=6.008847e+06 assign (segid " A" and resid 6 and name HN) (segid " A" and resid 5 and name HB1) 3.826 1.830 1.830 weight 1.000 ! spec=Expt_40, no=460, id=376, vol=4.898451e+06 assign (segid " A" and resid 6 and name HN) (segid " A" and resid 5 and name HB2) 3.449 1.487 1.487 weight 1.000 ! spec=Expt_40, no=463, id=377, vol=5.538561e+06 assign (segid " A" and resid 3 and name HN) (segid " A" and resid 2 and name HB1) 3.351 1.404 1.404 weight 1.000 ! spec=Expt_40, no=464, id=378, vol=5.404479e+06 assign (segid " A" and resid 7 and name HA) (segid " A" and resid 7 and name HG1) 2.997 1.123 1.123 weight 1.000 ! spec=Expt_40, no=466, id=379, vol=8.264376e+06 assign (segid " A" and resid 7 and name HA) (segid " A" and resid 7 and name HB2) 2.737 0.936 0.936 weight 1.000 ! spec=Expt_40, no=468, id=381, vol=1.273098e+07 assign (segid " A" and resid 14 and name HG2) (segid " A" and resid 14 and name HG1) 2.196 0.603 0.603 weight 1.000 ! spec=Expt_40, no=486, id=397, vol=4.056856e+07 assign (segid " A" and resid 28 and name HB1) (segid " A" and resid 28 and name HB2) 2.130 0.567 0.567 weight 1.000 ! spec=Expt_40, no=488, id=399, vol=4.546262e+07 assign (segid " A" and resid 27 and name HA) (segid " A" and resid 27 and name HB1) 3.164 1.252 1.252 weight 1.000 ! spec=Expt_40, no=489, id=400, vol=7.954358e+06 !assign (segid " A" and resid 1 and name HD1) (segid " A" and resid 34 and name HB2) 4.007 1.367 1.367 weight 1.000 ! spec=Expt_40, no=494, id=405, vol=8.879884e+06 !Diagonal not real nOE assign (segid " A" and resid 28 and name HA) (segid " A" and resid 28 and name HG1) 3.050 1.163 1.163 weight 1.000 ! spec=Expt_40, no=496, id=407, vol=7.683478e+06 assign (segid " A" and resid 28 and name HG2) (segid " A" and resid 28 and name HA) 2.972 1.104 1.104 weight 1.000 ! spec=Expt_40, no=500, id=411, vol=1.025673e+07 assign (segid " A" and resid 14 and name HB2) (segid " A" and resid 14 and name HA) 2.614 0.854 0.854 weight 1.000 ! spec=Expt_40, no=502, id=413, vol=3.173612e+07 assign (segid " A" and resid 14 and name HD1) (segid " A" and resid 14 and name HG1) 3.052 1.164 1.164 weight 1.000 ! spec=Expt_40, no=506, id=416, vol=1.063833e+07 assign (segid " A" and resid 28 and name HA) (segid " A" and resid 28 and name HB2) 2.817 0.992 0.992 weight 1.000 ! spec=Expt_40, no=507, id=417, vol=1.625468e+07 assign (segid " A" and resid 21 and name HA) (segid " A" and resid 21 and name HB1) 2.478 0.768 0.768 weight 1.000 ! spec=Expt_40, no=509, id=419, vol=2.481053e+07 assign (segid " A" and resid 28 and name HA) (segid " A" and resid 28 and name HB1) 2.712 0.919 0.919 weight 1.000 ! spec=Expt_40, no=511, id=420, vol=1.438895e+07 assign (segid " A" and resid 4 and name HD1) (segid " A" and resid 4 and name HA) 3.501 1.281 1.281 weight 1.000 ! spec=Expt_40, no=515, id=424, vol=1.217556e+07 assign (segid " A" and resid 28 and name HA) (segid " A" and resid 31 and name HB2) 3.428 1.469 1.469 weight 1.000 ! spec=Expt_40, no=516, id=425, vol=1.261407e+07 assign (segid " A" and resid 24 and name HN) (segid " A" and resid 24 and name HA) 2.790 0.973 0.973 weight 1.000 ! spec=Expt_40, no=520, id=429, vol=1.364277e+07 assign (segid " A" and resid 21 and name HA) (segid " A" and resid 24 and name HN) 3.181 1.265 1.265 weight 1.000 ! spec=Expt_40, no=521, id=430, vol=7.128978e+06 assign (segid " A" and resid 28 and name HA) (segid " A" and resid 29 and name HN) 3.450 1.488 1.488 weight 1.000 ! spec=Expt_40, no=525, id=433, vol=4.624925e+06 !assign (segid " A" and resid 1 and name HD1) (segid " A" and resid 2 and name HD1) 3.505 1.536 1.536 weight 1.000 ! spec=Expt_40, no=531, id=439, vol=7.350436e+06 !Diagonal not real nOE assign (segid " A" and resid 19 and name HB1) (segid " A" and resid 19 and name HA) 2.383 0.710 0.710 weight 1.000 ! spec=Expt_40, no=537, id=445, vol=3.031344e+07 assign (segid " A" and resid 22 and name HB2) (segid " A" and resid 19 and name HA) 2.462 0.758 0.758 weight 1.000 ! spec=Expt_40, no=542, id=450, vol=3.046837e+07 or (segid " A" and resid 22 and name HB1) (segid " A" and resid 19 and name HA) or (segid " A" and resid 22 and name HB3) (segid " A" and resid 19 and name HA) assign (segid " A" and resid 5 and name HB2) (segid " A" and resid 5 and name HA) 2.700 0.911 0.911 weight 1.000 ! spec=Expt_40, no=545, id=453, vol=2.150534e+07 assign (segid " A" and resid 12 and name HB1) (segid " A" and resid 16 and name HB2) 3.427 1.468 1.468 weight 1.000 ! spec=Expt_40, no=548, id=456, vol=1.182573e+07 or (segid " A" and resid 12 and name HB2) (segid " A" and resid 16 and name HB2) or (segid " A" and resid 12 and name HB3) (segid " A" and resid 16 and name HB2) assign (segid " A" and resid 31 and name HA) (segid " A" and resid 31 and name HB2) 2.909 1.058 1.058 weight 1.000 ! spec=Expt_40, no=549, id=457, vol=1.148215e+07 assign (segid " A" and resid 18 and name HA) (segid " A" and resid 21 and name HB2) 2.758 0.951 0.951 weight 1.000 ! spec=Expt_40, no=554, id=462, vol=1.271626e+07 assign (segid " A" and resid 15 and name HG2) (segid " A" and resid 15 and name HA) 2.673 0.893 0.893 weight 1.000 ! spec=Expt_40, no=556, id=464, vol=1.790199e+07 assign (segid " A" and resid 14 and name HA) (segid " A" and resid 17 and name HB1) 2.730 0.932 0.932 weight 1.000 ! spec=Expt_40, no=557, id=465, vol=1.552125e+07 assign (segid " A" and resid 14 and name HA) (segid " A" and resid 14 and name HG1) 3.468 1.503 1.503 weight 1.000 ! 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