NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
616331 | 5lo3 | 34032 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 2: unambig.tbl assign (segid " A" and resid 23 and name HN) (segid " A" and resid 22 and name HN) 2.361 0.697 0.697 weight 1.000 ! spec=Expt_22, no=1, id=0, vol=1.823169e+07 assign (segid " A" and resid 23 and name HN) (segid " A" and resid 23 and name HA) 2.501 0.782 0.782 weight 1.000 ! spec=Expt_22, no=3, id=2, vol=1.292961e+07 assign (segid " A" and resid 23 and name HN) (segid " A" and resid 23 and name HB1) 2.580 0.832 0.832 weight 1.000 ! spec=Expt_22, no=5, id=3, vol=1.071388e+07 assign (segid " A" and resid 23 and name HN) (segid " A" and resid 22 and name HB2) 2.275 0.647 0.647 weight 1.000 ! spec=Expt_22, no=6, id=4, vol=2.278710e+07 or (segid " A" and resid 23 and name HN) (segid " A" and resid 22 and name HB1) or (segid " A" and resid 23 and name HN) (segid " A" and resid 22 and name HB3) assign (segid " A" and resid 22 and name HN) (segid " A" and resid 22 and name HB2) 2.042 0.521 0.521 weight 1.000 ! spec=Expt_22, no=8, id=6, vol=4.358110e+07 or (segid " A" and resid 22 and name HN) (segid " A" and resid 22 and name HB1) or (segid " A" and resid 22 and name HN) (segid " A" and resid 22 and name HB3) assign (segid " A" and resid 22 and name HN) (segid " A" and resid 22 and name HA) 2.344 0.687 0.687 weight 1.000 ! spec=Expt_22, no=9, id=7, vol=1.908514e+07 assign (segid " A" and resid 24 and name HN) (segid " A" and resid 25 and name HN) 2.441 0.745 0.745 weight 1.000 ! spec=Expt_22, no=13, id=11, vol=1.493015e+07 assign (segid " A" and resid 25 and name HN) (segid " A" and resid 25 and name HA) 2.407 0.724 0.724 weight 1.000 ! spec=Expt_22, no=20, id=17, vol=1.624898e+07 assign (segid " A" and resid 25 and name HN) (segid " A" and resid 25 and name HB2) 2.029 0.515 0.515 weight 1.000 ! spec=Expt_22, no=21, id=18, vol=4.526596e+07 or (segid " A" and resid 25 and name HN) (segid " A" and resid 25 and name HB1) or (segid " A" and resid 25 and name HN) (segid " A" and resid 25 and name HB3) assign (segid " A" and resid 26 and name HN) (segid " A" and resid 26 and name HG1) 2.227 0.620 0.620 weight 1.000 ! spec=Expt_22, no=24, id=21, vol=2.592326e+07 assign (segid " A" and resid 27 and name HB2) (segid " A" and resid 24 and name HA) 2.671 0.892 0.892 weight 1.000 ! spec=Expt_22, no=40, id=29, vol=8.708534e+06 assign (segid " A" and resid 9 and name HN) (segid " A" and resid 8 and name HA) 2.082 0.542 0.542 weight 1.000 ! spec=Expt_22, no=46, id=34, vol=3.885273e+07 assign (segid " A" and resid 28 and name HE21) (segid " A" and resid 28 and name HE22) 1.670 0.349 0.349 weight 1.000 ! spec=Expt_22, no=48, id=36, vol=1.458726e+08 assign (segid " A" and resid 11 and name HD22) (segid " A" and resid 11 and name HD21) 1.659 0.344 0.344 weight 1.000 ! spec=Expt_22, no=49, id=37, vol=1.518495e+08 assign (segid " A" and resid 21 and name HE21) (segid " A" and resid 21 and name HE22) 1.681 0.353 0.353 weight 1.000 ! spec=Expt_22, no=50, id=38, vol=1.400369e+08 assign (segid " A" and resid 13 and name HN) (segid " A" and resid 13 and name HA) 2.528 0.799 0.799 weight 1.000 ! spec=Expt_22, no=53, id=41, vol=1.212150e+07 assign (segid " A" and resid 13 and name HN) (segid " A" and resid 13 and name HG22) 2.106 0.554 0.554 weight 1.000 ! spec=Expt_22, no=59, id=46, vol=3.623587e+07 or (segid " A" and resid 13 and name HN) (segid " A" and resid 13 and name HG23) or (segid " A" and resid 13 and name HN) (segid " A" and resid 13 and name HG21) assign (segid " A" and resid 29 and name HN) (segid " A" and resid 29 and name HB2) 2.851 0.751 0.751 weight 1.000 ! spec=Expt_22, no=62, id=48, vol=1.459816e+07 assign (segid " A" and resid 29 and name HN) (segid " A" and resid 29 and name HB1) 2.851 0.691 0.691 weight 1.000 ! spec=Expt_22, no=63, id=49, vol=1.873503e+07 assign (segid " A" and resid 29 and name HN) (segid " A" and resid 29 and name HA) 2.383 0.710 0.710 weight 1.000 ! spec=Expt_22, no=64, id=50, vol=1.728089e+07 assign (segid " A" and resid 28 and name HN) (segid " A" and resid 29 and name HN) 2.455 0.753 0.753 weight 1.000 ! spec=Expt_22, no=65, id=51, vol=1.444144e+07 assign (segid " A" and resid 29 and name HN) (segid " A" and resid 30 and name HN) 2.423 0.734 0.734 weight 1.000 ! spec=Expt_22, no=67, id=53, vol=1.561141e+07 assign (segid " A" and resid 28 and name HN) (segid " A" and resid 28 and name HG1) 2.835 0.868 0.868 weight 1.000 ! spec=Expt_22, no=70, id=56, vol=9.444188e+06 assign (segid " A" and resid 28 and name HG2) (segid " A" and resid 28 and name HE21) 3.011 1.133 1.133 weight 1.000 ! spec=Expt_22, no=72, id=58, vol=4.241338e+06 assign (segid " A" and resid 11 and name HD22) (segid " A" and resid 11 and name HB2) 2.324 0.675 0.675 weight 1.000 ! spec=Expt_22, no=75, id=60, vol=2.008278e+07 assign (segid " A" and resid 30 and name HN) (segid " A" and resid 31 and name HN) 2.733 0.934 0.934 weight 1.000 ! spec=Expt_22, no=85, id=69, vol=7.586224e+06 assign (segid " A" and resid 30 and name HN) (segid " A" and resid 30 and name HB2) 2.587 0.837 0.837 weight 1.000 ! spec=Expt_22, no=86, id=70, vol=1.054435e+07 assign (segid " A" and resid 32 and name HN) (segid " A" and resid 31 and name HN) 2.517 0.792 0.792 weight 1.000 ! spec=Expt_22, no=88, id=72, vol=1.243360e+07 assign (segid " A" and resid 31 and name HN) (segid " A" and resid 31 and name HB1) 2.531 0.801 0.801 weight 1.000 ! spec=Expt_22, no=90, id=74, vol=1.202860e+07 assign (segid " A" and resid 33 and name HN) (segid " A" and resid 32 and name HN) 2.440 0.744 0.744 weight 1.000 ! spec=Expt_22, no=94, id=78, vol=1.497070e+07 assign (segid " A" and resid 20 and name HD1) (segid " A" and resid 20 and name HA) 2.438 0.743 0.743 weight 1.000 ! spec=Expt_22, no=105, id=86, vol=1.506316e+07 or (segid " A" and resid 20 and name HD2) (segid " A" and resid 20 and name HA) assign (segid " A" and resid 20 and name HD1) (segid " A" and resid 20 and name HB1) 2.246 0.631 0.631 weight 1.000 ! spec=Expt_22, no=107, id=88, vol=2.463658e+07 or (segid " A" and resid 20 and name HD2) (segid " A" and resid 20 and name HB1) assign (segid " A" and resid 34 and name HD1) (segid " A" and resid 34 and name HB1) 2.336 0.682 0.682 weight 1.000 ! spec=Expt_22, no=108, id=89, vol=1.946494e+07 or (segid " A" and resid 34 and name HD2) (segid " A" and resid 34 and name HB1) assign (segid " A" and resid 19 and name HN) (segid " A" and resid 18 and name HN) 2.361 0.697 0.697 weight 1.000 ! spec=Expt_22, no=115, id=95, vol=1.825812e+07 assign (segid " A" and resid 16 and name HN) (segid " A" and resid 17 and name HN) 2.359 0.695 0.695 weight 1.000 ! spec=Expt_22, no=116, id=96, vol=1.836779e+07 assign (segid " A" and resid 19 and name HN) (segid " A" and resid 19 and name HB2) 2.359 0.696 0.696 weight 1.000 ! spec=Expt_22, no=119, id=99, vol=1.833882e+07 assign (segid " A" and resid 18 and name HN) (segid " A" and resid 18 and name HB2) 1.995 0.498 0.498 weight 1.000 ! spec=Expt_22, no=120, id=100, vol=5.014859e+07 or (segid " A" and resid 18 and name HN) (segid " A" and resid 18 and name HB1) or (segid " A" and resid 18 and name HN) (segid " A" and resid 18 and name HB3) assign (segid " A" and resid 19 and name HN) (segid " A" and resid 19 and name HB1) 2.380 0.708 0.708 weight 1.000 ! spec=Expt_22, no=121, id=101, vol=1.740813e+07 assign (segid " A" and resid 18 and name HN) (segid " A" and resid 18 and name HA) 2.304 0.664 0.664 weight 1.000 ! spec=Expt_22, no=123, id=103, vol=2.112175e+07 assign (segid " A" and resid 12 and name HN) (segid " A" and resid 11 and name HN) 2.623 0.860 0.860 weight 1.000 ! spec=Expt_22, no=126, id=105, vol=9.708688e+06 assign (segid " A" and resid 16 and name HN) (segid " A" and resid 15 and name HN) 2.486 0.772 0.772 weight 1.000 ! spec=Expt_22, no=127, id=106, vol=1.340466e+07 assign (segid " A" and resid 9 and name HA1) (segid " A" and resid 9 and name HN) 2.464 0.759 0.759 weight 1.000 ! spec=Expt_22, no=128, id=107, vol=1.413375e+07 assign (segid " A" and resid 9 and name HA2) (segid " A" and resid 10 and name HN) 2.582 0.834 0.834 weight 1.000 ! spec=Expt_22, no=131, id=110, vol=1.066020e+07 assign (segid " A" and resid 10 and name HN) (segid " A" and resid 10 and name HB2) 2.821 0.794 0.794 weight 1.000 ! spec=Expt_22, no=132, id=111, vol=1.232185e+07 assign (segid " A" and resid 10 and name HN) (segid " A" and resid 10 and name HB1) 2.646 0.875 0.875 weight 1.000 ! spec=Expt_22, no=135, id=114, vol=9.203640e+06 assign (segid " A" and resid 9 and name HA1) (segid " A" and resid 10 and name HN) 2.456 0.754 0.754 weight 1.000 ! spec=Expt_22, no=138, id=117, vol=1.441525e+07 assign (segid " A" and resid 9 and name HA2) (segid " A" and resid 9 and name HN) 2.412 0.727 0.727 weight 1.000 ! spec=Expt_22, no=139, id=118, vol=1.604884e+07 assign (segid " A" and resid 28 and name HN) (segid " A" and resid 27 and name HD1) 2.786 0.970 0.970 weight 1.000 ! spec=Expt_22, no=145, id=122, vol=6.758284e+06 or (segid " A" and resid 28 and name HN) (segid " A" and resid 27 and name HD2) assign (segid " A" and resid 28 and name HA) (segid " A" and resid 28 and name HN) 2.552 0.814 0.814 weight 1.000 ! spec=Expt_22, no=149, id=125, vol=1.144563e+07 assign (segid " A" and resid 12 and name HN) (segid " A" and resid 12 and name HB1) 2.026 0.513 0.513 weight 1.000 ! spec=Expt_22, no=158, id=134, vol=4.565744e+07 or (segid " A" and resid 12 and name HN) (segid " A" and resid 12 and name HB3) or (segid " A" and resid 12 and name HN) (segid " A" and resid 12 and name HB2) assign (segid " A" and resid 6 and name HA) (segid " A" and resid 7 and name HN) 2.005 0.503 0.503 weight 1.000 ! spec=Expt_22, no=165, id=141, vol=4.862643e+07 assign (segid " A" and resid 21 and name HA) (segid " A" and resid 22 and name HN) 3.152 1.242 1.242 weight 1.000 ! spec=Expt_22, no=176, id=150, vol=3.223057e+06 assign (segid " A" and resid 11 and name HN) (segid " A" and resid 11 and name HA) 2.520 0.794 0.794 weight 1.000 ! spec=Expt_22, no=180, id=154, vol=1.235944e+07 assign (segid " A" and resid 15 and name HN) (segid " A" and resid 15 and name HA) 2.383 0.710 0.710 weight 1.000 ! spec=Expt_22, no=188, id=160, vol=1.727766e+07 assign (segid " A" and resid 32 and name HN) (segid " A" and resid 32 and name HB1) 1.979 0.490 0.490 weight 1.000 ! spec=Expt_22, no=189, id=161, vol=5.260173e+07 or (segid " A" and resid 32 and name HN) (segid " A" and resid 32 and name HB3) or (segid " A" and resid 32 and name HN) (segid " A" and resid 32 and name HB2) assign (segid " A" and resid 4 and name HN) (segid " A" and resid 4 and name HB2) 2.466 0.760 0.760 weight 1.000 ! spec=Expt_22, no=193, id=165, vol=1.404233e+07 assign (segid " A" and resid 24 and name HN) (segid " A" and resid 24 and name HD13) 2.868 0.762 0.762 weight 1.000 ! spec=Expt_22, no=194, id=166, vol=1.397800e+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 1 and name HD2) (segid " A" and resid 1 and name HD1) 1.878 0.441 0.441 weight 1.000 ! spec=Expt_22, no=195, id=167, vol=7.213032e+07 assign (segid " A" and resid 14 and name HD1) (segid " A" and resid 13 and name HB) 3.009 0.726 0.726 weight 1.000 ! spec=Expt_22, no=197, id=169, vol=1.616932e+07 assign (segid " A" and resid 14 and name HD2) (segid " A" and resid 13 and name HB) 2.566 0.823 0.823 weight 1.000 ! spec=Expt_22, no=198, id=170, vol=1.108115e+07 assign (segid " A" and resid 14 and name HD2) (segid " A" and resid 13 and name HA) 2.062 0.532 0.532 weight 1.000 ! spec=Expt_22, no=199, id=171, vol=4.111098e+07 assign (segid " A" and resid 14 and name HD1) (segid " A" and resid 13 and name HA) 2.809 0.667 0.667 weight 1.000 ! spec=Expt_22, no=200, id=172, vol=2.084034e+07 assign (segid " A" and resid 14 and name HD2) (segid " A" and resid 14 and name HG1) 2.587 0.837 0.837 weight 1.000 ! spec=Expt_22, no=205, id=177, vol=1.054581e+07 assign (segid " A" and resid 17 and name HA) (segid " A" and resid 17 and name HD12) 2.116 0.560 0.560 weight 1.000 ! spec=Expt_22, no=207, id=179, vol=3.521452e+07 or (segid " A" and resid 17 and name HA) (segid " A" and resid 17 and name HD11) or (segid " A" and resid 17 and name HA) (segid " A" and resid 17 and name HD13) assign (segid " A" and resid 13 and name HG22) (segid " A" and resid 13 and name HA) 2.144 0.575 0.575 weight 1.000 ! spec=Expt_22, no=211, id=183, vol=3.251483e+07 or (segid " A" and resid 13 and name HG23) (segid " A" and resid 13 and name HA) or (segid " A" and resid 13 and name HG21) (segid " A" and resid 13 and name HA) assign (segid " A" and resid 14 and name HD2) (segid " A" and resid 14 and name HG2) 2.595 0.842 0.842 weight 1.000 ! spec=Expt_22, no=212, id=184, vol=1.035712e+07 assign (segid " A" and resid 14 and name HD1) (segid " A" and resid 14 and name HG2) 2.593 0.840 0.840 weight 1.000 ! spec=Expt_22, no=214, id=185, vol=1.040584e+07 assign (segid " A" and resid 7 and name HA) (segid " A" and resid 8 and name HD2) 2.173 0.590 0.590 weight 1.000 ! spec=Expt_22, no=215, id=186, vol=3.001964e+07 assign (segid " A" and resid 7 and name HA) (segid " A" and resid 8 and name HD1) 2.269 0.643 0.643 weight 1.000 ! spec=Expt_22, no=216, id=187, vol=2.319817e+07 assign (segid " A" and resid 8 and name HD2) (segid " A" and resid 8 and name HD1) 2.049 0.525 0.525 weight 1.000 ! spec=Expt_22, no=217, id=188, vol=4.275673e+07 assign (segid " A" and resid 6 and name HN) (segid " A" and resid 5 and name HA) 2.042 0.521 0.521 weight 1.000 ! spec=Expt_22, no=222, id=193, vol=4.364516e+07 assign (segid " A" and resid 3 and name HA) (segid " A" and resid 4 and name HN) 2.822 0.462 0.462 weight 1.000 ! spec=Expt_22, no=227, id=198, vol=6.267754e+07 assign (segid " A" and resid 6 and name HB) (segid " A" and resid 6 and name HN) 2.860 0.639 0.839 weight 1.000 ! spec=Expt_22, no=229, id=200, vol=2.371327e+07 assign (segid " A" and resid 27 and name HB1) (segid " A" and resid 27 and name HA) 2.740 0.938 0.938 weight 1.000 ! spec=Expt_22, no=233, id=204, vol=7.474400e+06 assign (segid " A" and resid 27 and name HA) (segid " A" and resid 27 and name HB2) 2.488 0.774 0.774 weight 1.000 ! spec=Expt_22, no=234, id=205, vol=1.332586e+07 assign (segid " A" and resid 3 and name HN) (segid " A" and resid 3 and name HB) 2.876 0.648 0.648 weight 1.000 ! spec=Expt_22, no=240, id=210, vol=2.273917e+07 assign (segid " A" and resid 3 and name HN) (segid " A" and resid 3 and name HA) 2.602 0.847 0.847 weight 1.000 ! spec=Expt_22, no=241, id=211, vol=1.017990e+07 assign (segid " A" and resid 2 and name HA) (segid " A" and resid 3 and name HN) 1.976 0.488 0.488 weight 1.000 ! spec=Expt_22, no=242, id=212, vol=5.315117e+07 assign (segid " A" and resid 3 and name HA) (segid " A" and resid 3 and name HB) 2.195 0.602 0.602 weight 1.000 ! spec=Expt_22, no=244, id=214, vol=2.830707e+07 assign (segid " A" and resid 7 and name HB2) (segid " A" and resid 7 and name HN) 2.584 0.835 0.835 weight 1.000 ! spec=Expt_22, no=250, id=218, vol=1.061362e+07 assign (segid " A" and resid 7 and name HA) (segid " A" and resid 7 and name HN) 2.586 0.836 0.836 weight 1.000 ! spec=Expt_22, no=251, id=219, vol=1.056288e+07 assign (segid " A" and resid 13 and name HA) (segid " A" and resid 13 and name HB) 2.592 0.840 0.840 weight 1.000 ! spec=Expt_22, no=264, id=230, vol=1.042857e+07 assign (segid " A" and resid 14 and name HG2) (segid " A" and resid 14 and name HG1) 1.994 0.497 0.497 weight 1.000 ! spec=Expt_22, no=271, id=237, vol=5.028813e+07 assign (segid " A" and resid 16 and name HB1) (segid " A" and resid 16 and name HB2) 2.135 0.570 0.570 weight 1.000 ! spec=Expt_22, no=275, id=241, vol=3.336706e+07 assign (segid " A" and resid 17 and name HB2) (segid " A" and resid 17 and name HA) 2.590 0.839 0.839 weight 1.000 ! spec=Expt_22, no=283, id=249, vol=1.046951e+07 assign (segid " A" and resid 17 and name HB1) (segid " A" and resid 17 and name HA) 2.674 0.894 0.894 weight 1.000 ! spec=Expt_22, no=284, id=250, vol=8.644802e+06 assign (segid " A" and resid 24 and name HN) (segid " A" and resid 24 and name HB2) 2.468 0.761 0.761 weight 1.000 ! spec=Expt_22, no=296, id=262, vol=1.399091e+07 assign (segid " A" and resid 24 and name HA) (segid " A" and resid 24 and name HD21) 2.227 0.620 0.620 weight 1.000 ! spec=Expt_22, no=301, id=267, vol=2.590230e+07 or (segid " A" and resid 24 and name HA) (segid " A" and resid 24 and name HD22) or (segid " A" and resid 24 and name HA) (segid " A" and resid 24 and name HD23) assign (segid " A" and resid 24 and name HA) (segid " A" and resid 24 and name HB2) 2.564 0.822 0.822 weight 1.000 ! spec=Expt_22, no=303, id=269, vol=1.112973e+07 assign (segid " A" and resid 24 and name HB2) (segid " A" and resid 24 and name HD21) 2.303 0.663 0.663 weight 1.000 ! spec=Expt_22, no=304, id=270, vol=2.117614e+07 or (segid " A" and resid 24 and name HB2) (segid " A" and resid 24 and name HD22) or (segid " A" and resid 24 and name HB2) (segid " A" and resid 24 and name HD23) assign (segid " A" and resid 24 and name HB2) (segid " A" and resid 24 and name HD13) 2.136 0.570 0.570 weight 1.000 ! spec=Expt_22, no=305, id=271, vol=3.326898e+07 or (segid " A" and resid 24 and name HB2) (segid " A" and resid 24 and name HD12) or (segid " A" and resid 24 and name HB2) (segid " A" and resid 24 and name HD11) assign (segid " A" and resid 24 and name HB1) (segid " A" and resid 24 and name HA) 3.271 1.337 1.337 weight 1.000 ! spec=Expt_22, no=308, id=273, vol=2.582588e+06 assign (segid " A" and resid 26 and name HB1) (segid " A" and resid 26 and name HN) 2.898 0.719 0.719 weight 1.000 ! spec=Expt_22, no=323, id=286, vol=1.661742e+07 assign (segid " A" and resid 26 and name HB2) (segid " A" and resid 26 and name HN) 2.875 0.705 0.705 weight 1.000 ! 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spec=Expt_23, no=740, id=1199, vol=7.382579e+06 or (segid " A" and resid 7 and name HE2) (segid " A" and resid 20 and name HM3) or (segid " A" and resid 7 and name HE2) (segid " A" and resid 20 and name HM2) or (segid " A" and resid 7 and name HE1) (segid " A" and resid 20 and name HM1) or (segid " A" and resid 7 and name HE1) (segid " A" and resid 20 and name HM3) or (segid " A" and resid 7 and name HE1) (segid " A" and resid 20 and name HM2) assign (segid " A" and resid 4 and name HE1) (segid " A" and resid 20 and name HM1) 3.795 0.977 0.977 weight 1.000 ! spec=Expt_23, no=741, id=1200, vol=1.060889e+07 or (segid " A" and resid 4 and name HE1) (segid " A" and resid 20 and name HM3) or (segid " A" and resid 4 and name HE1) (segid " A" and resid 20 and name HM2) or (segid " A" and resid 4 and name HE2) (segid " A" and resid 20 and name HM1) or (segid " A" and resid 4 and name HE2) (segid " A" and resid 20 and name HM3) or (segid " A" and resid 4 and name HE2) (segid " A" and resid 20 and name HM2) assign (segid " A" and resid 34 and name HB1) (segid " A" and resid 34 and name HA) 2.497 0.780 0.780 weight 1.000 ! 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spec=Expt_23, no=817, id=1264, vol=1.169568e+07 assign (segid " A" and resid 34 and name HE1) (segid " A" and resid 0 and name HA1) 3.319 0.924 0.924 weight 1.000 ! spec=Expt_23, no=828, id=1275, vol=1.252417e+07 or (segid " A" and resid 34 and name HE1) (segid " A" and resid 0 and name HA2) or (segid " A" and resid 34 and name HE1) (segid " A" and resid 0 and name HA3) or (segid " A" and resid 34 and name HE2) (segid " A" and resid 0 and name HA1) or (segid " A" and resid 34 and name HE2) (segid " A" and resid 0 and name HA2) or (segid " A" and resid 34 and name HE2) (segid " A" and resid 0 and name HA3) assign (segid " A" and resid 27 and name HE2) (segid " A" and resid 4 and name HD2) 3.935 1.077 1.077 weight 1.000 ! spec=Expt_23, no=831, id=1278, vol=7.920549e+06 or (segid " A" and resid 27 and name HE1) (segid " A" and resid 4 and name HD2) assign (segid " A" and resid 28 and name HG2) (segid " A" and resid 27 and name HD1) 4.073 1.181 1.181 weight 1.000 ! spec=Expt_23, no=832, id=1279, vol=6.007493e+06 or (segid " A" and resid 28 and name HG2) (segid " A" and resid 27 and name HD2) assign (segid " A" and resid 23 and name HB2) (segid " A" and resid 20 and name HD1) 4.058 1.246 1.246 weight 1.000 ! 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spec=Expt_22, no=549, vol=1.334e+07 assign (segid " A" and resid 20 and name HE1) (segid " A" and resid 5 and name HG1) 3.300 0.892 1.092 weight 1.000 ! spec=Expt_22, no=385, vol=7.42e+06 or (segid " A" and resid 20 and name HE2) (segid " A" and resid 5 and name HG1) # Restraints file 3: ambig.tbl assign (segid " A" and resid 27 and name HD2) (segid " A" and resid 27 and name HE2) 1.881 0.442 0.442 weight 1.000 ! spec=Expt_22, no=30, id=22, vol=7.136412e+07 or (segid " A" and resid 27 and name HD1) (segid " A" and resid 27 and name HE1) assign (segid " A" and resid 27 and name HD2) (segid " A" and resid 27 and name HA) 2.515 0.791 0.791 weight 1.000 ! spec=Expt_22, no=32, id=23, vol=1.248600e+07 or (segid " A" and resid 27 and name HD1) (segid " A" and resid 27 and name HA) assign (segid " A" and resid 27 and name HD1) (segid " A" and resid 27 and name HB2) 2.290 0.656 0.656 weight 1.000 ! spec=Expt_22, no=33, id=24, vol=2.190896e+07 or (segid " A" and resid 27 and name HD2) (segid " A" and resid 27 and name HB2) assign (segid " A" and resid 27 and name HD1) (segid " A" and resid 27 and name HB1) 2.363 0.698 0.698 weight 1.000 ! 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