NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
557111 | 2m3k | 18966 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
assign (segid " " and resid 52 and name HN) (segid " " and resid 51 and name HN) 2.933 1.075 1.075 weight 1.000 ! spec=comp...oesy, no=22, id=19, vol=4.701700e-01 or (segid " " and resid 52 and name HN) (segid " " and resid 73 and name HN) assign (segid " " and resid 27 and name HB2) (segid " " and resid 24 and name HA) 2.417 0.730 0.730 weight 1.000 ! spec=comp...oesy, no=48, id=612, vol=2.865760e+00 or (segid " " and resid 27 and name HB1) (segid " " and resid 24 and name HA) or (segid " " and resid 114 and name HB1) (segid " " and resid 114 and name HA) assign (segid " " and resid 4 and name HB2) (segid " " and resid 3 and name HB2) 2.406 0.724 0.724 weight 1.000 ! spec=comp...oesy, no=49, id=613, vol=2.940710e+00 or (segid " " and resid 4 and name HB2) (segid " " and resid 3 and name HB1) or (segid " " and resid 4 and name HB1) (segid " " and resid 3 and name HB2) or (segid " " and resid 4 and name HB1) (segid " " and resid 3 and name HB1) or (segid " " and resid 27 and name HB2) (segid " " and resid 28 and name HB1) or (segid " " and resid 27 and name HB1) (segid " " and resid 28 and name HB1) or (segid " " and resid 27 and name HB2) (segid " " and resid 28 and name HG) or (segid " " and resid 27 and name HB1) (segid " " and resid 28 and name HG) or (segid " " and resid 114 and name HB1) (segid " " and resid 80 and name HG1) assign (segid " " and resid 114 and name HB1) (segid " " and resid 80 and name HG2) 2.494 0.778 0.778 weight 1.000 ! spec=comp...oesy, no=50, id=614, vol=2.368780e+00 or (segid " " and resid 114 and name HB1) (segid " " and resid 95 and name HD2) or (segid " " and resid 114 and name HB1) (segid " " and resid 95 and name HD1) or (segid " " and resid 114 and name HB1) (segid " " and resid 116 and name HD2) or (segid " " and resid 114 and name HB1) (segid " " and resid 116 and name HD1) assign (segid " " and resid 114 and name HB1) (segid " " and resid 114 and name HB2) 1.926 0.464 0.464 weight 1.000 ! spec=comp...oesy, no=55, id=619, vol=1.116492e+01 or (segid " " and resid 114 and name HB2) (segid " " and resid 81 and name HB1) assign (segid " " and resid 114 and name HB2) (segid " " and resid 80 and name HG2) 2.571 0.827 0.827 weight 1.000 ! spec=comp...oesy, no=56, id=620, vol=1.973830e+00 or (segid " " and resid 114 and name HB2) (segid " " and resid 116 and name HD2) or (segid " " and resid 114 and name HB2) (segid " " and resid 116 and name HD1) assign (segid " " and resid 5 and name HN) (segid " " and resid 6 and name HN) 2.472 0.764 0.764 weight 1.000 ! spec=comp...oesy, no=58, id=54, vol=1.310210e+00 or (segid " " and resid 7 and name HN) (segid " " and resid 6 and name HN) or (segid " " and resid 24 and name HN) (segid " " and resid 25 and name HN) assign (segid " " and resid 11 and name HN) (segid " " and resid 12 and name HN) 2.397 0.718 0.718 weight 1.000 ! spec=comp...oesy, no=65, id=60, vol=1.575060e+00 or (segid " " and resid 95 and name HN) (segid " " and resid 96 and name HN) assign (segid " " and resid 45 and name HB) (segid " " and resid 45 and name HG22) 1.896 0.449 0.449 weight 1.000 ! spec=comp...oesy, no=71, id=623, vol=1.228408e+01 or (segid " " and resid 45 and name HB) (segid " " and resid 45 and name HG21) or (segid " " and resid 45 and name HB) (segid " " and resid 45 and name HG23) or (segid " " and resid 45 and name HB) (segid " " and resid 45 and name HD12) or (segid " " and resid 45 and name HB) (segid " " and resid 45 and name HD11) or (segid " " and resid 45 and name HB) (segid " " and resid 45 and name HD13) assign (segid " " and resid 45 and name HB) (segid " " and resid 15 and name HB2) 2.334 0.681 0.681 weight 1.000 ! spec=comp...oesy, no=77, id=627, vol=3.533590e+00 or (segid " " and resid 45 and name HB) (segid " " and resid 15 and name HB1) or (segid " " and resid 45 and name HB) (segid " " and resid 15 and name HB3) or (segid " " and resid 45 and name HB) (segid " " and resid 45 and name HG12) assign (segid " " and resid 74 and name HB) (segid " " and resid 74 and name HG22) 1.967 0.484 0.484 weight 1.000 ! spec=comp...oesy, no=81, id=631, vol=9.848590e+00 or (segid " " and resid 74 and name HB) (segid " " and resid 74 and name HG21) or (segid " " and resid 74 and name HB) (segid " " and resid 74 and name HG23) or (segid " " and resid 89 and name HB2) (segid " " and resid 89 and name HD22) or (segid " " and resid 89 and name HB2) (segid " " and resid 89 and name HD21) or (segid " " and resid 89 and name HB2) (segid " " and resid 89 and name HD23) assign (segid " " and resid 108 and name HN) (segid " " and resid 107 and name HN) 2.991 1.118 1.118 weight 1.000 ! spec=comp...oesy, no=90, id=83, vol=4.175600e-01 or (segid " " and resid 13 and name HN) (segid " " and resid 15 and name HN) assign (segid " " and resid 24 and name HG2) (segid " " and resid 28 and name HD22) 2.616 0.856 0.856 weight 1.000 ! spec=comp...oesy, no=91, id=638, vol=1.779100e+00 or (segid " " and resid 24 and name HG2) (segid " " and resid 28 and name HD21) or (segid " " and resid 24 and name HG2) (segid " " and resid 28 and name HD23) or (segid " " and resid 24 and name HG2) (segid " " and resid 28 and name HD12) or (segid " " and resid 24 and name HG2) (segid " " and resid 28 and name HD11) or (segid " " and resid 24 and name HG2) (segid " " and resid 28 and name HD13) or (segid " " and resid 24 and name HG2) (segid " " and resid 89 and name HD12) or (segid " " and resid 24 and name HG2) (segid " " and resid 89 and name HD11) or (segid " " and resid 24 and name HG2) (segid " " and resid 89 and name HD13) assign (segid " " and resid 39 and name HB2) (segid " " and resid 39 and name HG2) 1.984 0.492 0.492 weight 1.000 ! spec=comp...oesy, no=113, id=657, vol=9.350150e+00 or (segid " " and resid 39 and name HB2) (segid " " and resid 39 and name HG1) or (segid " " and resid 39 and name HB1) (segid " " and resid 39 and name HG2) or (segid " " and resid 39 and name HB1) (segid " " and resid 39 and name HG1) or (segid " " and resid 109 and name HB2) (segid " " and resid 109 and name HG2) or (segid " " and resid 109 and name HB2) (segid " " and resid 109 and name HG1) or (segid " " and resid 109 and name HB1) (segid " " and resid 109 and name HG2) or (segid " " and resid 109 and name HB1) (segid " " and resid 109 and name HG1) assign (segid " " and resid 39 and name HB2) (segid " " and resid 39 and name HE2) 2.575 0.829 0.829 weight 1.000 ! spec=comp...oesy, no=114, id=658, vol=1.957520e+00 or (segid " " and resid 39 and name HB2) (segid " " and resid 39 and name HE1) or (segid " " and resid 39 and name HB1) (segid " " and resid 39 and name HE2) or (segid " " and resid 39 and name HB1) (segid " " and resid 39 and name HE1) or (segid " " and resid 113 and name HB1) (segid " " and resid 113 and name HE2) or (segid " " and resid 113 and name HB1) (segid " " and resid 113 and name HE1) assign (segid " " and resid 47 and name HG2) (segid " " and resid 47 and name HB2) 1.762 0.388 0.388 weight 1.000 ! spec=comp...oesy, no=125, id=669, vol=1.904529e+01 or (segid " " and resid 47 and name HG2) (segid " " and resid 47 and name HB1) or (segid " " and resid 49 and name HG2) (segid " " and resid 49 and name HB2) or (segid " " and resid 49 and name HG1) (segid " " and resid 49 and name HB2) or (segid " " and resid 68 and name HB2) (segid " " and resid 68 and name HG2) or (segid " " and resid 68 and name HB2) (segid " " and resid 68 and name HG1) assign (segid " " and resid 47 and name HG2) (segid " " and resid 74 and name HD12) 2.451 0.751 0.751 weight 1.000 ! spec=comp...oesy, no=126, id=670, vol=2.632120e+00 or (segid " " and resid 47 and name HG2) (segid " " and resid 74 and name HD11) or (segid " " and resid 47 and name HG2) (segid " " and resid 74 and name HD13) or (segid " " and resid 47 and name HG2) (segid " " and resid 105 and name HD12) or (segid " " and resid 47 and name HG2) (segid " " and resid 105 and name HD11) or (segid " " and resid 47 and name HG2) (segid " " and resid 105 and name HD13) assign (segid " " and resid 47 and name HG1) (segid " " and resid 74 and name HD12) 2.528 0.799 0.799 weight 1.000 ! spec=comp...oesy, no=127, id=671, vol=2.186040e+00 or (segid " " and resid 47 and name HG1) (segid " " and resid 74 and name HD11) or (segid " " and resid 47 and name HG1) (segid " " and resid 74 and name HD13) or (segid " " and resid 47 and name HG1) (segid " " and resid 105 and name HD12) or (segid " " and resid 47 and name HG1) (segid " " and resid 105 and name HD11) or (segid " " and resid 47 and name HG1) (segid " " and resid 105 and name HD13) assign (segid " " and resid 96 and name HB2) (segid " " and resid 96 and name HE2) 2.515 0.790 0.790 weight 1.000 ! spec=comp...oesy, no=134, id=677, vol=2.256390e+00 or (segid " " and resid 96 and name HB2) (segid " " and resid 96 and name HE1) or (segid " " and resid 96 and name HB1) (segid " " and resid 96 and name HE2) or (segid " " and resid 96 and name HB1) (segid " " and resid 96 and name HE1) or (segid " " and resid 113 and name HB2) (segid " " and resid 113 and name HE2) or (segid " " and resid 113 and name HB2) (segid " " and resid 113 and name HE1) or (segid " " and resid 54 and name HB2) (segid " " and resid 54 and name HD2) or (segid " " and resid 54 and name HB2) (segid " " and resid 54 and name HD1) or (segid " " and resid 54 and name HB1) (segid " " and resid 54 and name HD2) or (segid " " and resid 54 and name HB1) (segid " " and resid 54 and name HD1) assign (segid " " and resid 49 and name HG2) (segid " " and resid 12 and name HG22) 2.551 0.813 0.813 weight 1.000 ! spec=comp...oesy, no=135, id=678, vol=2.071180e+00 or (segid " " and resid 49 and name HG2) (segid " " and resid 12 and name HG21) or (segid " " and resid 49 and name HG2) (segid " " and resid 12 and name HG23) or (segid " " and resid 49 and name HG1) (segid " " and resid 12 and name HG22) or (segid " " and resid 49 and name HG1) (segid " " and resid 12 and name HG21) or (segid " " and resid 49 and name HG1) (segid " " and resid 12 and name HG23) or (segid " " and resid 49 and name HG2) (segid " " and resid 12 and name HG12) or (segid " " and resid 49 and name HG2) (segid " " and resid 12 and name HG11) or (segid " " and resid 49 and name HG2) (segid " " and resid 12 and name HG13) or (segid " " and resid 49 and name HG1) (segid " " and resid 12 and name HG12) or (segid " " and resid 49 and name HG1) (segid " " and resid 12 and name HG11) or (segid " " and resid 49 and name HG1) (segid " " and resid 12 and name HG13) assign (segid " " and resid 94 and name HN) (segid " " and resid 81 and name HA) 2.935 1.077 1.077 weight 1.000 ! spec=comp...oesy, no=142, id=129, vol=4.682600e-01 or (segid " " and resid 94 and name HN) (segid " " and resid 82 and name HA) assign (segid " " and resid 89 and name HN) (segid " " and resid 87 and name HA) 2.891 1.045 1.045 weight 1.000 ! spec=comp...oesy, no=145, id=132, vol=5.121700e-01 or (segid " " and resid 89 and name HN) (segid " " and resid 88 and name HA) assign (segid " " and resid 88 and name HN) (segid " " and resid 87 and name HA) 2.783 0.968 0.968 weight 1.000 ! spec=comp...oesy, no=146, id=133, vol=6.439800e-01 or (segid " " and resid 88 and name HN) (segid " " and resid 88 and name HA) assign (segid " " and resid 68 and name HB2) (segid " " and resid 23 and name HG2) 2.565 0.822 0.822 weight 1.000 ! spec=comp...oesy, no=148, id=689, vol=2.005980e+00 or (segid " " and resid 68 and name HB2) (segid " " and resid 23 and name HG1) or (segid " " and resid 68 and name HB2) (segid " " and resid 67 and name HB1) or (segid " " and resid 68 and name HB1) (segid " " and resid 23 and name HG2) or (segid " " and resid 68 and name HB1) (segid " " and resid 23 and name HG1) or (segid " " and resid 68 and name HB1) (segid " " and resid 67 and name HB1) assign (segid " " and resid 47 and name HG2) (segid " " and resid 47 and name HB2) 1.702 0.362 0.362 weight 1.000 ! spec=comp...oesy, no=171, id=705, vol=2.350600e+01 or (segid " " and resid 47 and name HG2) (segid " " and resid 47 and name HB1) or (segid " " and resid 47 and name HB2) (segid " " and resid 47 and name HG1) or (segid " " and resid 47 and name HB1) (segid " " and resid 47 and name HG1) assign (segid " " and resid 76 and name HB1) (segid " " and resid 109 and name HG2) 2.238 0.626 0.626 weight 1.000 ! spec=comp...oesy, no=175, id=709, vol=4.545620e+00 or (segid " " and resid 76 and name HB1) (segid " " and resid 109 and name HG1) or (segid " " and resid 78 and name HB1) (segid " " and resid 78 and name HG2) or (segid " " and resid 78 and name HB1) (segid " " and resid 78 and name HG1) assign (segid " " and resid 47 and name HB2) (segid " " and resid 74 and name HD12) 2.558 0.818 0.818 weight 1.000 ! spec=comp...oesy, no=179, id=712, vol=2.037350e+00 or (segid " " and resid 47 and name HB2) (segid " " and resid 74 and name HD11) or (segid " " and resid 47 and name HB2) (segid " " and resid 74 and name HD13) or (segid " " and resid 47 and name HB1) (segid " " and resid 74 and name HD12) or (segid " " and resid 47 and name HB1) (segid " " and resid 74 and name HD11) or (segid " " and resid 47 and name HB1) (segid " " and resid 74 and name HD13) or (segid " " and resid 47 and name HB2) (segid " " and resid 105 and name HD12) or (segid " " and resid 47 and name HB2) (segid " " and resid 105 and name HD11) or (segid " " and resid 47 and name HB2) (segid " " and resid 105 and name HD13) or (segid " " and resid 47 and name HB1) (segid " " and resid 105 and name HD12) or (segid " " and resid 47 and name HB1) (segid " " and resid 105 and name HD11) or (segid " " and resid 47 and name HB1) (segid " " and resid 105 and name HD13) assign (segid " " and resid 6 and name HB2) (segid " " and resid 6 and name HG2) 1.943 0.472 0.472 weight 1.000 ! spec=comp...oesy, no=186, id=718, vol=1.060257e+01 or (segid " " and resid 6 and name HB1) (segid " " and resid 6 and name HG2) or (segid " " and resid 25 and name HB2) (segid " " and resid 25 and name HG2) or (segid " " and resid 25 and name HB1) (segid " " and resid 25 and name HG2) assign (segid " " and resid 68 and name HB2) (segid " " and resid 23 and name HG2) 2.373 0.704 0.704 weight 1.000 ! spec=comp...oesy, no=192, id=722, vol=3.193000e+00 or (segid " " and resid 68 and name HB2) (segid " " and resid 23 and name HG1) or (segid " " and resid 23 and name HG2) (segid " " and resid 85 and name HG2) or (segid " " and resid 23 and name HG2) (segid " " and resid 85 and name HG1) or (segid " " and resid 23 and name HG1) (segid " " and resid 85 and name HG2) or (segid " " and resid 23 and name HG1) (segid " " and resid 85 and name HG1) assign (segid " " and resid 80 and name HB2) (segid " " and resid 112 and name HB2) 2.351 0.691 0.691 weight 1.000 ! spec=comp...oesy, no=194, id=724, vol=3.379440e+00 or (segid " " and resid 80 and name HB1) (segid " " and resid 112 and name HB2) or (segid " " and resid 23 and name HG2) (segid " " and resid 85 and name HG2) or (segid " " and resid 23 and name HG2) (segid " " and resid 85 and name HG1) or (segid " " and resid 23 and name HG1) (segid " " and resid 85 and name HG2) or (segid " " and resid 23 and name HG1) (segid " " and resid 85 and name HG1) assign (segid " " and resid 44 and name HB1) (segid " " and resid 44 and name HB2) 2.231 0.622 0.622 weight 1.000 ! spec=comp...oesy, no=196, id=726, vol=4.626040e+00 or (segid " " and resid 85 and name HG2) (segid " " and resid 23 and name HE2) or (segid " " and resid 85 and name HG2) (segid " " and resid 23 and name HE1) or (segid " " and resid 85 and name HG2) (segid " " and resid 23 and name HE3) or (segid " " and resid 85 and name HG1) (segid " " and resid 23 and name HE2) or (segid " " and resid 85 and name HG1) (segid " " and resid 23 and name HE1) or (segid " " and resid 85 and name HG1) (segid " " and resid 23 and name HE3) assign (segid " " and resid 8 and name HB2) (segid " " and resid 8 and name HG1) 1.991 0.496 0.496 weight 1.000 ! spec=comp...oesy, no=198, id=728, vol=9.152250e+00 or (segid " " and resid 8 and name HB1) (segid " " and resid 8 and name HG1) or (segid " " and resid 25 and name HB2) (segid " " and resid 25 and name HG1) or (segid " " and resid 25 and name HB1) (segid " " and resid 25 and name HG1) assign (segid " " and resid 44 and name HB1) (segid " " and resid 44 and name HG2) 2.403 0.722 0.722 weight 1.000 ! spec=comp...oesy, no=202, id=732, vol=2.967400e+00 or (segid " " and resid 80 and name HB2) (segid " " and resid 80 and name HG2) or (segid " " and resid 80 and name HB1) (segid " " and resid 80 and name HG2) assign (segid " " and resid 99 and name HN) (segid " " and resid 98 and name HA) 2.712 0.919 0.919 weight 1.000 ! spec=comp...oesy, no=205, id=182, vol=7.524500e-01 or (segid " " and resid 99 and name HN) (segid " " and resid 99 and name HA) assign (segid " " and resid 12 and name HB) (segid " " and resid 12 and name HG22) 1.962 0.481 0.481 weight 1.000 ! spec=comp...oesy, no=208, id=738, vol=9.995840e+00 or (segid " " and resid 12 and name HB) (segid " " and resid 12 and name HG21) or (segid " " and resid 12 and name HB) (segid " " and resid 12 and name HG23) or (segid " " and resid 12 and name HB) (segid " " and resid 12 and name HG12) or (segid " " and resid 12 and name HB) (segid " " and resid 12 and name HG11) or (segid " " and resid 12 and name HB) (segid " " and resid 12 and name HG13) assign (segid " " and resid 5 and name HN) (segid " " and resid 4 and name HA) 2.743 0.940 0.940 weight 1.000 ! spec=comp...oesy, no=209, id=185, vol=7.028300e-01 or (segid " " and resid 7 and name HN) (segid " " and resid 4 and name HA) assign (segid " " and resid 5 and name HB1) (segid " " and resid 5 and name HA) 2.441 0.745 0.745 weight 1.000 ! spec=comp...oesy, no=222, id=746, vol=2.697060e+00 or (segid " " and resid 24 and name HB1) (segid " " and resid 25 and name HA) assign (segid " " and resid 96 and name HD2) (segid " " and resid 82 and name HD12) 2.084 0.543 0.543 weight 1.000 ! spec=comp...oesy, no=228, id=752, vol=6.970810e+00 or (segid " " and resid 96 and name HD2) (segid " " and resid 82 and name HD11) or (segid " " and resid 96 and name HD2) (segid " " and resid 82 and name HD13) or (segid " " and resid 96 and name HD1) (segid " " and resid 82 and name HD12) or (segid " " and resid 96 and name HD1) (segid " " and resid 82 and name HD11) or (segid " " and resid 96 and name HD1) (segid " " and resid 82 and name HD13) or (segid " " and resid 96 and name HD2) (segid " " and resid 84 and name HG2) or (segid " " and resid 96 and name HD2) (segid " " and resid 84 and name HG1) or (segid " " and resid 96 and name HD1) (segid " " and resid 84 and name HG2) or (segid " " and resid 96 and name HD1) (segid " " and resid 84 and name HG1) assign (segid " " and resid 18 and name HN) (segid " " and resid 15 and name HA) 2.344 0.687 0.687 weight 1.000 ! spec=comp...oesy, no=236, id=210, vol=1.804980e+00 or (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HA) assign (segid " " and resid 18 and name HB1) (segid " " and resid 15 and name HA) 2.249 0.632 0.632 weight 1.000 ! spec=comp...oesy, no=237, id=759, vol=4.409370e+00 or (segid " " and resid 18 and name HB1) (segid " " and resid 18 and name HA) assign (segid " " and resid 18 and name HB1) (segid " " and resid 18 and name HG1) 1.869 0.437 0.437 weight 1.000 ! spec=comp...oesy, no=238, id=760, vol=1.336849e+01 or (segid " " and resid 18 and name HB1) (segid " " and resid 18 and name HG2) assign (segid " " and resid 10 and name HN) (segid " " and resid 7 and name HA) 2.745 0.942 0.942 weight 1.000 ! spec=comp...oesy, no=240, id=214, vol=6.985800e-01 or (segid " " and resid 10 and name HN) (segid " " and resid 8 and name HA) assign (segid " " and resid 18 and name HG2) (segid " " and resid 18 and name HB2) 1.909 0.456 0.456 weight 1.000 ! spec=comp...oesy, no=241, id=763, vol=1.177912e+01 or (segid " " and resid 18 and name HG1) (segid " " and resid 18 and name HB2) assign (segid " " and resid 18 and name HB2) (segid " " and resid 15 and name HA) 2.257 0.637 0.637 weight 1.000 ! spec=comp...oesy, no=242, id=764, vol=4.314470e+00 or (segid " " and resid 18 and name HB2) (segid " " and resid 18 and name HA) assign (segid " " and resid 6 and name HD2) (segid " " and resid 3 and name HA) 2.188 0.599 0.599 weight 1.000 ! spec=comp...oesy, no=249, id=771, vol=5.195870e+00 or (segid " " and resid 6 and name HD1) (segid " " and resid 3 and name HA) or (segid " " and resid 6 and name HD2) (segid " " and resid 5 and name HA) or (segid " " and resid 6 and name HD1) (segid " " and resid 5 and name HA) or (segid " " and resid 96 and name HD2) (segid " " and resid 97 and name HB1) or (segid " " and resid 96 and name HD1) (segid " " and resid 97 and name HB1) assign (segid " " and resid 8 and name HN) (segid " " and resid 8 and name HA) 2.343 0.686 0.686 weight 1.000 ! spec=comp...oesy, no=251, id=224, vol=1.808130e+00 or (segid " " and resid 14 and name HN) (segid " " and resid 14 and name HA) assign (segid " " and resid 29 and name HN) (segid " " and resid 28 and name HA) 2.917 1.063 1.063 weight 1.000 ! spec=comp...oesy, no=256, id=228, vol=4.858400e-01 or (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HA) assign (segid " " and resid 6 and name HN) (segid " " and resid 3 and name HA) 2.570 0.826 0.826 weight 1.000 ! spec=comp...oesy, no=258, id=230, vol=1.038030e+00 or (segid " " and resid 6 and name HN) (segid " " and resid 5 and name HA) assign (segid " " and resid 116 and name HD2) (segid " " and resid 116 and name HE2) 1.752 0.384 0.384 weight 1.000 ! spec=comp...oesy, no=259, id=778, vol=1.975778e+01 or (segid " " and resid 116 and name HD1) (segid " " and resid 116 and name HE2) or (segid " " and resid 116 and name HD2) (segid " " and resid 116 and name HE1) or (segid " " and resid 116 and name HD1) (segid " " and resid 116 and name HE1) assign (segid " " and resid 5 and name HN) (segid " " and resid 5 and name HA) 2.495 0.778 0.778 weight 1.000 ! spec=comp...oesy, no=261, id=233, vol=1.239130e+00 or (segid " " and resid 25 and name HN) (segid " " and resid 25 and name HA) assign (segid " " and resid 66 and name HD2) (segid " " and resid 38 and name HA) 2.459 0.756 0.756 weight 1.000 ! 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