BMRB

NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
26017 2ke1 RC 16510 cing 1-original 4 XPLOR/CNS distance NOE ambi


assign (segid "   A" and resid   19 and name   HN) (segid "   B" and resid   76 and name  HD1) 4.276 2.286 2.286 weight 1.000 ! spec=15N_...spin, no=5, id=1954, vol=1.641501e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   B" and resid   76 and name  HD2)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB1) 2.514 0.790 0.790 weight 1.000 ! spec=15N_...spin, no=6, id=1955, vol=3.978898e+07
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HG1)
assign (segid "   A" and resid   22 and name   HN) (segid "   B" and resid   72 and name  HG1) 3.516 1.546 1.546 weight 1.000 ! spec=15N_...spin, no=23, id=1961, vol=5.311207e+06
    or (segid "   A" and resid   22 and name   HN) (segid "   B" and resid   70 and name  HG2)
assign (segid "   A" and resid   18 and name   HN) (segid "   B" and resid   77 and name   HN) 3.560 1.584 1.584 weight 1.000 ! spec=15N_...spin, no=39, id=1963, vol=4.932868e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   B" and resid   76 and name   HN)
assign (segid "   A" and resid   18 and name   HN) (segid "   B" and resid   76 and name  HG1) 4.060 2.060 2.060 weight 1.000 ! spec=15N_...spin, no=40, id=1964, vol=2.242180e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   B" and resid   72 and name  HB1)
    or (segid "   A" and resid   18 and name   HN) (segid "   B" and resid   72 and name  HB2)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HG2) 3.365 1.415 1.415 weight 1.000 ! spec=15N_...spin, no=53, id=1968, vol=6.916218e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HG1)
assign (segid "   A" and resid   47 and name  HD1) (segid "   A" and resid   43 and name  HG2) 2.357 0.694 0.694 weight 1.000 ! spec=aronoesy, no=48, id=18, vol=6.834361e+07
    or (segid "   A" and resid   47 and name  HD1) (segid "   A" and resid   43 and name  HG1)
assign (segid "   A" and resid   31 and name  HD2) (segid "   A" and resid   19 and name   HA) 3.270 1.337 1.337 weight 1.000 ! spec=aronoesy, no=68, id=34, vol=9.582485e+06
    or (segid "   A" and resid   31 and name  HD2) (segid "   A" and resid   18 and name  HA1)
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name  HB1) 1.916 0.459 0.459 weight 1.000 ! spec=cnoesy, no=17, id=516, vol=1.012101e+09
    or (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name  HB2)
assign (segid "   A" and resid   53 and name  HB1) (segid "   A" and resid   53 and name HD13) 1.622 0.329 0.329 weight 1.000 ! spec=cnoesy, no=69, id=559, vol=2.750949e+09
    or (segid "   A" and resid   53 and name  HB1) (segid "   A" and resid   53 and name HD11)
    or (segid "   A" and resid   53 and name  HB1) (segid "   A" and resid   53 and name HD12)
    or (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   53 and name HD13)
    or (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   53 and name HD11)
    or (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   53 and name HD12)
    or (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   39 and name HD21)
    or (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   39 and name HD23)
    or (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   39 and name HD22)
assign (segid "   A" and resid    6 and name  HG1) (segid "   A" and resid    6 and name   HA) 2.323 0.674 0.674 weight 1.000 ! spec=cnoesy, no=112, id=597, vol=3.192115e+08
    or (segid "   A" and resid    6 and name  HG2) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name   HA) 2.277 0.648 0.648 weight 1.000 ! spec=cnoesy, no=114, id=599, vol=3.592844e+08
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name   HA)
assign (segid "   A" and resid   15 and name  HD1) (segid "   A" and resid   15 and name  HG2) 1.976 0.488 0.488 weight 1.000 ! spec=cnoesy, no=124, id=607, vol=8.411969e+08
    or (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   15 and name  HG2)
assign (segid "   A" and resid    6 and name  HG1) (segid "   A" and resid    6 and name  HE2) 2.281 0.651 0.651 weight 1.000 ! spec=cnoesy, no=125, id=608, vol=3.554831e+08
    or (segid "   A" and resid    6 and name  HG1) (segid "   A" and resid    6 and name  HE1)
assign (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   38 and name  HG2) 2.575 0.829 0.829 weight 1.000 ! spec=cnoesy, no=127, id=609, vol=1.717643e+08
    or (segid "   A" and resid   38 and name  HB1) (segid "   A" and resid   38 and name  HG1)
assign (segid "   A" and resid    6 and name  HG2) (segid "   A" and resid    6 and name  HB2) 2.395 0.717 0.717 weight 1.000 ! spec=cnoesy, no=128, id=610, vol=2.655534e+08
    or (segid "   A" and resid    6 and name  HG1) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name  HD1) 1.849 0.427 0.427 weight 1.000 ! spec=cnoesy, no=175, id=652, vol=1.255350e+09
    or (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name  HD2)
assign (segid "   A" and resid   38 and name  HD2) (segid "   A" and resid   38 and name  HG2) 2.528 0.799 0.799 weight 1.000 ! spec=cnoesy, no=180, id=656, vol=1.920375e+08
    or (segid "   A" and resid   38 and name  HD2) (segid "   A" and resid   38 and name  HG1)
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    5 and name  HG2) 1.787 0.399 4.213 weight 1.000 ! spec=cnoesy, no=184, id=659, vol=1.540011e+09
    or (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    5 and name  HG2)
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name   HA) 2.001 0.501 0.501 weight 1.000 ! spec=cnoesy, no=185, id=660, vol=7.801374e+08
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name   HA) 1.779 0.396 0.396 weight 1.000 ! spec=cnoesy, no=190, id=664, vol=1.580008e+09
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   15 and name   HA)
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    8 and name   HA)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HG2) 2.410 0.726 0.726 weight 1.000 ! spec=cnoesy, no=205, id=678, vol=2.558508e+08
    or (segid "   A" and resid   53 and name   HA) (segid "   A" and resid   53 and name   HG)
assign (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   20 and name  HB2) 1.950 0.476 0.476 weight 1.000 ! spec=cnoesy, no=217, id=688, vol=9.102429e+08
    or (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   20 and name  HB2)
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   20 and name  HB2)
    or (segid "   A" and resid   20 and name   HG) (segid "   A" and resid   20 and name HD13)
    or (segid "   A" and resid   20 and name   HG) (segid "   A" and resid   20 and name HD11)
    or (segid "   A" and resid   20 and name   HG) (segid "   A" and resid   20 and name HD12)
assign (segid "   A" and resid   20 and name   HG) (segid "   A" and resid   20 and name HD21) 1.945 0.473 0.473 weight 1.000 ! spec=cnoesy, no=219, id=690, vol=9.270774e+08
    or (segid "   A" and resid   20 and name   HG) (segid "   A" and resid   20 and name HD23)
    or (segid "   A" and resid   20 and name   HG) (segid "   A" and resid   20 and name HD22)
    or (segid "   A" and resid   20 and name HD21) (segid "   A" and resid   20 and name  HB2)
    or (segid "   A" and resid   20 and name HD23) (segid "   A" and resid   20 and name  HB2)
    or (segid "   A" and resid   20 and name HD22) (segid "   A" and resid   20 and name  HB2)
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   35 and name  HB2) 2.224 0.618 0.618 weight 1.000 ! spec=cnoesy, no=242, id=707, vol=4.144977e+08
    or (segid "   A" and resid   35 and name   HG) (segid "   A" and resid   35 and name   HA)
assign (segid "   A" and resid   48 and name  HG2) (segid "   A" and resid   48 and name  HD1) 2.096 0.549 0.549 weight 1.000 ! spec=cnoesy, no=288, id=742, vol=5.909824e+08
    or (segid "   A" and resid   48 and name  HB2) (segid "   A" and resid   48 and name  HD1)
assign (segid "   A" and resid   48 and name  HG2) (segid "   A" and resid   48 and name  HD2) 2.121 0.562 0.562 weight 1.000 ! spec=cnoesy, no=290, id=744, vol=5.508855e+08
    or (segid "   A" and resid   48 and name  HB2) (segid "   A" and resid   48 and name  HD2)
assign (segid "   A" and resid   53 and name HD13) (segid "   A" and resid   53 and name   HG) 2.129 0.567 0.567 weight 1.000 ! spec=cnoesy, no=300, id=751, vol=5.382229e+08
    or (segid "   A" and resid   53 and name HD11) (segid "   A" and resid   53 and name   HG)
    or (segid "   A" and resid   53 and name HD12) (segid "   A" and resid   53 and name   HG)
    or (segid "   A" and resid   53 and name HD21) (segid "   A" and resid   53 and name   HG)
    or (segid "   A" and resid   53 and name HD23) (segid "   A" and resid   53 and name   HG)
    or (segid "   A" and resid   53 and name HD22) (segid "   A" and resid   53 and name   HG)
assign (segid "   A" and resid   54 and name  HG1) (segid "   A" and resid   54 and name   HA) 2.225 0.619 0.619 weight 1.000 ! spec=cnoesy, no=301, id=752, vol=4.135683e+08
    or (segid "   A" and resid   54 and name  HG2) (segid "   A" and resid   54 and name   HA)
assign (segid "   A" and resid   54 and name  HB1) (segid "   A" and resid   54 and name   HA) 1.947 0.474 0.474 weight 1.000 ! spec=cnoesy, no=302, id=753, vol=9.209978e+08
    or (segid "   A" and resid   54 and name  HB2) (segid "   A" and resid   54 and name   HA)
assign (segid "   A" and resid   56 and name   HB) (segid "   A" and resid   56 and name HG22) 1.705 0.363 0.363 weight 1.000 ! spec=cnoesy, no=307, id=757, vol=2.043796e+09
    or (segid "   A" and resid   56 and name   HB) (segid "   A" and resid   56 and name HG21)
    or (segid "   A" and resid   56 and name   HB) (segid "   A" and resid   56 and name HG23)
    or (segid "   A" and resid   56 and name HG22) (segid "   A" and resid   56 and name   HA)
    or (segid "   A" and resid   56 and name HG21) (segid "   A" and resid   56 and name   HA)
    or (segid "   A" and resid   56 and name HG23) (segid "   A" and resid   56 and name   HA)
assign (segid "   A" and resid   60 and name   HA) (segid "   A" and resid   60 and name   HB) 2.074 0.537 0.537 weight 1.000 ! spec=cnoesy, no=308, id=758, vol=6.304713e+08
    or (segid "   A" and resid   57 and name   HB) (segid "   A" and resid   57 and name   HA)
assign (segid "   A" and resid   60 and name HG12) (segid "   A" and resid   60 and name   HA) 1.875 0.440 0.440 weight 1.000 ! spec=cnoesy, no=309, id=759, vol=1.152305e+09
    or (segid "   A" and resid   60 and name HG11) (segid "   A" and resid   60 and name   HA)
    or (segid "   A" and resid   60 and name HG13) (segid "   A" and resid   60 and name   HA)
    or (segid "   A" and resid   60 and name HG21) (segid "   A" and resid   60 and name   HA)
    or (segid "   A" and resid   60 and name HG22) (segid "   A" and resid   60 and name   HA)
    or (segid "   A" and resid   60 and name HG23) (segid "   A" and resid   60 and name   HA)
    or (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   57 and name   HA)
    or (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   57 and name   HA)
    or (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   57 and name   HA)
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   57 and name   HA)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   57 and name   HA)
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   57 and name   HA)
assign (segid "   A" and resid   65 and name  HB1) (segid "   A" and resid   65 and name   HA) 1.775 0.394 4.225 weight 1.000 ! spec=cnoesy, no=317, id=762, vol=1.603243e+09
    or (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   65 and name   HA)
assign (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   13 and name HG12) 2.276 0.647 0.647 weight 1.000 ! spec=cnoesy, no=343, id=782, vol=3.609141e+08
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   13 and name HG11)
    or (segid "   A" and resid   34 and name  HB2) (segid "   A" and resid   13 and name HG13)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   13 and name HG12)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   13 and name HG11)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   13 and name HG13)
assign (segid "   A" and resid   20 and name HD21) (segid "   A" and resid   10 and name   HA) 2.176 0.592 0.592 weight 1.000 ! spec=cnoesy, no=355, id=790, vol=4.715950e+08
    or (segid "   A" and resid   20 and name HD23) (segid "   A" and resid   10 and name   HA)
    or (segid "   A" and resid   20 and name HD22) (segid "   A" and resid   10 and name   HA)
    or (segid "   A" and resid   20 and name HD21) (segid "   A" and resid   11 and name   HA)
    or (segid "   A" and resid   20 and name HD23) (segid "   A" and resid   11 and name   HA)
    or (segid "   A" and resid   20 and name HD22) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HB1) 2.106 0.555 0.555 weight 1.000 ! spec=cnoesy, no=370, id=798, vol=5.739995e+08
    or (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB1)
assign (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   21 and name HD11) 2.331 0.679 0.679 weight 1.000 ! spec=cnoesy, no=389, id=805, vol=3.125807e+08
    or (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   21 and name HD12)
    or (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   21 and name HD13)
    or (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   21 and name HD11)
    or (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   21 and name HD12)
    or (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   21 and name HD13)
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   21 and name HG22) 2.956 1.092 1.092 weight 1.000 ! spec=cnoesy, no=400, id=813, vol=7.511942e+07
    or (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   21 and name HG23)
    or (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   21 and name HG21)
    or (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   21 and name HG22)
    or (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   21 and name HG23)
    or (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   21 and name HG21)
assign (segid "   A" and resid   35 and name HD21) (segid "   A" and resid   30 and name  HB1) 2.435 0.741 0.741 weight 1.000 ! spec=cnoesy, no=463, id=862, vol=2.404151e+08
    or (segid "   A" and resid   35 and name HD23) (segid "   A" and resid   30 and name  HB1)
    or (segid "   A" and resid   35 and name HD22) (segid "   A" and resid   30 and name  HB1)
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   21 and name HG22)
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   21 and name HG23)
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   21 and name HG21)
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   38 and name  HB1) 2.050 0.525 0.525 weight 1.000 ! spec=cnoesy, no=507, id=899, vol=6.746647e+08
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name  HB1)
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   39 and name  HB2) 2.879 1.036 1.036 weight 1.000 ! spec=cnoesy, no=509, id=901, vol=8.795460e+07
    or (segid "   A" and resid   43 and name  HD2) (segid "   A" and resid   39 and name  HB1)
    or (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   39 and name  HB1)
assign (segid "   A" and resid   48 and name  HG2) (segid "   A" and resid   48 and name  HD1) 2.319 0.672 0.672 weight 1.000 ! spec=cnoesy, no=543, id=926, vol=3.222106e+08
    or (segid "   A" and resid   48 and name  HG2) (segid "   A" and resid   48 and name  HD2)
assign (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   57 and name   HB) 1.898 0.450 0.450 weight 1.000 ! spec=cnoesy, no=573, id=947, vol=1.071707e+09
    or (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   57 and name   HB)
assign (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   58 and name  HG1) 2.252 0.634 0.634 weight 1.000 ! spec=cnoesy, no=575, id=949, vol=3.839150e+08
    or (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   58 and name  HG2)
assign (segid "   A" and resid   62 and name   HA) (segid "   A" and resid   62 and name  HD1) 2.732 0.933 0.933 weight 1.000 ! spec=cnoesy, no=583, id=953, vol=1.205422e+08
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name  HD1)
assign (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   63 and name  HD1) 2.128 0.566 0.566 weight 1.000 ! spec=cnoesy, no=588, id=956, vol=5.395651e+08
    or (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   63 and name  HD2)
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name  HG1) 2.766 0.956 0.956 weight 1.000 ! spec=cnoesy, no=592, id=958, vol=1.119621e+08
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name  HG1)
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name  HG2) 2.696 0.908 0.908 weight 1.000 ! spec=cnoesy, no=593, id=959, vol=1.306182e+08
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name  HG2)
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HB2) 1.831 0.419 0.419 weight 1.000 ! spec=cnoesy, no=594, id=960, vol=1.329790e+09
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HB3)
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HB1)
    or (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name  HB2)
    or (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name  HB3)
    or (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name  HB1)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB2)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB3)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB1)
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HG1) 2.277 0.648 0.648 weight 1.000 ! spec=cnoesy, no=595, id=961, vol=3.592792e+08
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HG2)
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    5 and name   HA) 1.963 0.482 0.482 weight 1.000 ! spec=cnoesy, no=596, id=962, vol=8.759281e+08
    or (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name  HG2) 1.626 0.331 0.331 weight 1.000 ! spec=cnoesy, no=605, id=965, vol=2.709426e+09
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name  HG2)
    or (segid "   A" and resid    6 and name  HG1) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HD2) 2.790 0.973 0.973 weight 1.000 ! spec=cnoesy, no=610, id=966, vol=1.063376e+08
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HD1)
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name  HB2) 2.317 0.671 0.671 weight 1.000 ! spec=cnoesy, no=648, id=983, vol=3.239184e+08
    or (segid "   A" and resid   20 and name   HG) (segid "   A" and resid   20 and name   HA)
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name  HB1) 2.392 0.715 0.715 weight 1.000 ! spec=cnoesy, no=649, id=984, vol=2.672671e+08
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   29 and name  HB2)
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   29 and name  HB3)
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   29 and name  HB1)
assign (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   10 and name   HA) 2.311 0.668 0.668 weight 1.000 ! spec=cnoesy, no=658, id=992, vol=3.286148e+08
    or (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   10 and name   HA)
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   10 and name   HA)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   17 and name  HA1)
    or (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   17 and name  HA1)
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   17 and name  HA1)
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   23 and name  HB2) 3.220 1.296 1.296 weight 1.000 ! spec=cnoesy, no=704, id=1010, vol=4.497742e+07
    or (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   23 and name  HB2)
assign (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   36 and name   HA) 2.602 0.846 0.846 weight 1.000 ! spec=cnoesy, no=741, id=1030, vol=1.615346e+08
    or (segid "   A" and resid   38 and name  HG2) (segid "   A" and resid   36 and name   HA)
    or (segid "   A" and resid   38 and name  HG1) (segid "   A" and resid   36 and name   HA)
assign (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name  HG2) 2.289 0.655 3.711 weight 1.000 ! spec=cnoesy, no=753, id=1038, vol=3.488658e+08
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name  HG1)
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   38 and name  HG2) 3.264 1.332 1.332 weight 1.000 ! spec=cnoesy, no=758, id=1041, vol=4.145093e+07
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   38 and name  HG1)
assign (segid "   A" and resid   38 and name  HD1) (segid "   A" and resid   38 and name  HG2) 2.513 0.789 0.789 weight 1.000 ! spec=cnoesy, no=759, id=1042, vol=1.992417e+08
    or (segid "   A" and resid   38 and name  HD1) (segid "   A" and resid   38 and name  HG1)
assign (segid "   A" and resid   48 and name   HA) (segid "   A" and resid   48 and name  HG2) 2.049 0.525 0.525 weight 1.000 ! spec=cnoesy, no=818, id=1065, vol=6.771891e+08
    or (segid "   A" and resid   48 and name   HA) (segid "   A" and resid   48 and name  HB2)
assign (segid "   A" and resid   54 and name  HB1) (segid "   A" and resid   54 and name  HG1) 2.050 0.525 0.525 weight 1.000 ! spec=cnoesy, no=845, id=1077, vol=6.762095e+08
    or (segid "   A" and resid   54 and name  HB2) (segid "   A" and resid   54 and name  HG1)
assign (segid "   A" and resid   54 and name  HB1) (segid "   A" and resid   54 and name  HG2) 1.799 0.405 4.201 weight 1.000 ! spec=cnoesy, no=846, id=1078, vol=1.478001e+09
    or (segid "   A" and resid   54 and name  HB2) (segid "   A" and resid   54 and name  HG2)
assign (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   57 and name   HB) 1.683 0.354 0.354 weight 1.000 ! spec=cnoesy, no=854, id=1081, vol=2.206698e+09
    or (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   60 and name HG12) (segid "   A" and resid   60 and name   HB)
    or (segid "   A" and resid   60 and name HG11) (segid "   A" and resid   60 and name   HB)
    or (segid "   A" and resid   60 and name HG13) (segid "   A" and resid   60 and name   HB)
    or (segid "   A" and resid   60 and name   HB) (segid "   A" and resid   60 and name HG21)
    or (segid "   A" and resid   60 and name   HB) (segid "   A" and resid   60 and name HG22)
    or (segid "   A" and resid   60 and name   HB) (segid "   A" and resid   60 and name HG23)
assign (segid "   A" and resid   62 and name  HB2) (segid "   A" and resid   62 and name  HG1) 1.764 0.389 0.389 weight 1.000 ! spec=cnoesy, no=866, id=1090, vol=1.666062e+09
    or (segid "   A" and resid   62 and name  HB2) (segid "   A" and resid   62 and name  HG2)
assign (segid "   A" and resid   62 and name  HG2) (segid "   A" and resid   62 and name  HD2) 1.877 0.441 0.441 weight 1.000 ! spec=cnoesy, no=872, id=1091, vol=1.144737e+09
    or (segid "   A" and resid   38 and name  HD2) (segid "   A" and resid   38 and name  HG1)
    or (segid "   A" and resid   38 and name  HD2) (segid "   A" and resid   38 and name  HG2)
assign (segid "   A" and resid   27 and name  HG1) (segid "   A" and resid   26 and name   HA) 2.992 1.119 1.119 weight 1.000 ! spec=cnoesy, no=912, id=1114, vol=6.984139e+07
    or (segid "   A" and resid   27 and name  HG2) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name  HE2) 2.209 0.610 0.610 weight 1.000 ! spec=cnoesy, no=924, id=1120, vol=4.317663e+08
    or (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name  HE1)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    6 and name  HE2)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    6 and name  HE1)
assign (segid "   B" and resid   76 and name  HD1) (segid "   A" and resid   18 and name  HA1) 3.171 1.257 1.257 weight 1.000 ! spec=cnoesy, no=936, id=1123, vol=4.925953e+07
    or (segid "   B" and resid   76 and name  HD2) (segid "   A" and resid   18 and name  HA1)
assign (segid "   A" and resid   62 and name   HA) (segid "   A" and resid   62 and name  HG2) 2.590 0.839 0.839 weight 1.000 ! spec=cnoesyH2O, no=31, id=1153, vol=2.809192e+08
    or (segid "   A" and resid   62 and name   HA) (segid "   A" and resid   62 and name  HG1)
assign (segid "   A" and resid   15 and name  HD1) (segid "   A" and resid   15 and name  HB2) 3.190 1.272 1.272 weight 1.000 ! spec=cnoesyH2O, no=76, id=1182, vol=8.052035e+07
    or (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   15 and name  HB2)
assign (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   15 and name  HB1) 2.987 1.115 1.115 weight 1.000 ! spec=cnoesyH2O, no=77, id=1183, vol=1.195344e+08
    or (segid "   A" and resid   15 and name  HD1) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB1) 2.401 0.720 0.720 weight 1.000 ! spec=cnoesyH2O, no=153, id=1240, vol=4.434132e+08
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid    7 and name   HA)
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB2) 2.177 0.592 0.592 weight 1.000 ! spec=cnoesyH2O, no=157, id=1241, vol=7.978284e+08
    or (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB1)
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name   HG) 2.090 0.546 0.546 weight 1.000 ! spec=cnoesyH2O, no=170, id=1249, vol=1.018839e+09
    or (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   39 and name   HG)
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HB1) 2.070 0.536 0.536 weight 1.000 ! spec=cnoesyH2O, no=225, id=1290, vol=1.078607e+09
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HB2)
assign (segid "   A" and resid   38 and name  HD1) (segid "   A" and resid   38 and name  HG2) 2.200 0.605 0.605 weight 1.000 ! spec=cnoesyH2O, no=243, id=1298, vol=7.486996e+08
    or (segid "   A" and resid   38 and name  HD1) (segid "   A" and resid   38 and name  HG1)
    or (segid "   A" and resid   38 and name  HD2) (segid "   A" and resid   38 and name  HG2)
    or (segid "   A" and resid   38 and name  HD2) (segid "   A" and resid   38 and name  HG1)
assign (segid "   A" and resid   15 and name  HD1) (segid "   A" and resid   15 and name   HA) 2.290 0.655 0.655 weight 1.000 ! spec=cnoesyH2O, no=274, id=1316, vol=5.890686e+08
    or (segid "   A" and resid   15 and name  HD2) (segid "   A" and resid   15 and name   HA)
assign (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   19 and name   HA) 2.001 0.500 0.500 weight 1.000 ! spec=cnoesyH2O, no=283, id=1322, vol=1.322363e+09
    or (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name  HB1) 2.007 0.504 0.504 weight 1.000 ! spec=cnoesyH2O, no=289, id=1327, vol=1.296827e+09
    or (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   20 and name  HB2)
    or (segid "   A" and resid   29 and name  HB3) (segid "   A" and resid   20 and name  HB2)
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   20 and name  HB2)
assign (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   21 and name   HB) 2.058 0.529 0.529 weight 1.000 ! spec=cnoesyH2O, no=301, id=1333, vol=1.118081e+09
    or (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   21 and name   HB)
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   21 and name   HB)
    or (segid "   A" and resid   21 and name HD11) (segid "   A" and resid   21 and name HG11)
    or (segid "   A" and resid   21 and name HD12) (segid "   A" and resid   21 and name HG11)
    or (segid "   A" and resid   21 and name HD13) (segid "   A" and resid   21 and name HG11)
assign (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   42 and name HG11) 1.963 0.482 4.037 weight 1.000 ! spec=cnoesyH2O, no=318, id=1348, vol=1.482081e+09
    or (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name  HB1)
assign (segid "   A" and resid   35 and name HD13) (segid "   A" and resid   35 and name   HG) 1.929 0.465 0.465 weight 1.000 ! spec=cnoesyH2O, no=327, id=1354, vol=1.647072e+09
    or (segid "   A" and resid   35 and name HD11) (segid "   A" and resid   35 and name   HG)
    or (segid "   A" and resid   35 and name HD12) (segid "   A" and resid   35 and name   HG)
    or (segid "   A" and resid   35 and name HD13) (segid "   A" and resid   35 and name  HB2)
    or (segid "   A" and resid   35 and name HD11) (segid "   A" and resid   35 and name  HB2)
    or (segid "   A" and resid   35 and name HD12) (segid "   A" and resid   35 and name  HB2)
assign (segid "   A" and resid   40 and name  HG1) (segid "   A" and resid   40 and name   HA) 1.959 0.480 0.480 weight 1.000 ! spec=cnoesyH2O, no=349, id=1366, vol=1.502554e+09
    or (segid "   A" and resid   63 and name  HG2) (segid "   A" and resid   63 and name   HA)
    or (segid "   A" and resid   63 and name  HG1) (segid "   A" and resid   63 and name   HA)
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   43 and name  HB1) 2.131 0.568 0.568 weight 1.000 ! spec=cnoesyH2O, no=362, id=1375, vol=9.051771e+08
    or (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   43 and name  HG1)
assign (segid "   A" and resid   43 and name  HD1) (segid "   A" and resid   43 and name  HG2) 2.120 0.562 0.562 weight 1.000 ! spec=cnoesyH2O, no=378, id=1385, vol=9.339043e+08
    or (segid "   A" and resid   43 and name  HD1) (segid "   A" and resid   43 and name  HG1)
assign (segid "   A" and resid   51 and name  HB1) (segid "   A" and resid   51 and name   HA) 2.163 0.585 0.585 weight 1.000 ! spec=cnoesyH2O, no=398, id=1401, vol=8.292704e+08
    or (segid "   A" and resid   51 and name  HB2) (segid "   A" and resid   51 and name   HA)
assign (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   53 and name HD13) 2.159 0.583 0.583 weight 1.000 ! spec=cnoesyH2O, no=404, id=1406, vol=8.369777e+08
    or (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   53 and name HD11)
    or (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   53 and name HD12)
    or (segid "   A" and resid   53 and name HD21) (segid "   A" and resid   53 and name  HB2)
    or (segid "   A" and resid   53 and name HD23) (segid "   A" and resid   53 and name  HB2)
    or (segid "   A" and resid   53 and name HD22) (segid "   A" and resid   53 and name  HB2)
assign (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   33 and name   HA) 1.928 0.465 0.465 weight 1.000 ! spec=cnoesyH2O, no=424, id=1418, vol=1.652282e+09
    or (segid "   A" and resid   38 and name  HB2) (segid "   A" and resid   38 and name   HA)
assign (segid "   A" and resid   38 and name  HD2) (segid "   A" and resid   38 and name  HB2) 2.406 0.724 3.594 weight 1.000 ! spec=cnoesyH2O, no=425, id=1419, vol=4.373945e+08
    or (segid "   A" and resid   62 and name  HD2) (segid "   A" and resid   62 and name  HB2)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HA) 2.007 0.504 0.504 weight 1.000 ! spec=cnoesyH2O, no=443, id=1425, vol=1.296805e+09
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   13 and name HG12) 3.438 1.477 1.477 weight 1.000 ! spec=cnoesyH2O, no=496, id=1464, vol=5.138835e+07
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   13 and name HG11)
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   13 and name HG13)
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   13 and name HG12)
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   13 and name HG11)
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   13 and name HG13)
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   13 and name HG12)
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   13 and name HG11)
    or (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   13 and name HG13)
    or (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   13 and name HG12)
    or (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   13 and name HG11)
    or (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   13 and name HG13)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HG2) 2.534 0.803 0.803 weight 1.000 ! spec=cnoesyH2O, no=509, id=1475, vol=3.202269e+08
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name   HG)
assign (segid "   A" and resid    6 and name  HE2) (segid "   A" and resid    6 and name  HB1) 3.610 1.629 1.629 weight 1.000 ! spec=cnoesyH2O, no=565, id=1511, vol=3.832445e+07
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid   30 and name  HE1) (segid "   A" and resid   22 and name   HA) 3.115 1.213 1.213 weight 1.000 ! spec=cnoesyH2O, no=671, id=1572, vol=9.292173e+07
    or (segid "   A" and resid   30 and name  HE2) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid    7 and name  HB2) 2.575 0.829 0.829 weight 1.000 ! spec=cnoesyH2O, no=772, id=1621, vol=2.910824e+08
    or (segid "   A" and resid   29 and name  HB3) (segid "   A" and resid    7 and name  HB2)
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid    7 and name  HB2)
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   29 and name  HB2)
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   29 and name  HB3)
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   29 and name  HB1)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   32 and name HD13) 2.988 1.116 1.116 weight 1.000 ! spec=cnoesyH2O, no=824, id=1659, vol=1.191143e+08
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   32 and name HD11)
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   32 and name HD12)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   32 and name HD13)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   32 and name HD11)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   32 and name HD12)
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   31 and name  HB1) 2.772 0.960 0.960 weight 1.000 ! spec=cnoesyH2O, no=852, id=1673, vol=1.870952e+08
    or (segid "   A" and resid   33 and name  HB3) (segid "   A" and resid   31 and name  HB1)
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   31 and name  HB1)
    or (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   31 and name  HB2)
    or (segid "   A" and resid   33 and name  HB3) (segid "   A" and resid   31 and name  HB2)
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB1) 2.174 0.591 0.591 weight 1.000 ! spec=cnoesyH2O, no=938, id=1721, vol=8.028369e+08
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   39 and name  HB1)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   39 and name HD13) 2.834 1.004 1.004 weight 1.000 ! spec=cnoesyH2O, no=944, id=1724, vol=1.638272e+08
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   39 and name HD11)
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   39 and name HD12)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name HD13)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name HD11)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name HD12)
assign (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   42 and name HG22) 2.122 0.563 3.878 weight 1.000 ! spec=cnoesyH2O, no=978, id=1736, vol=9.293635e+08
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   42 and name HG23)
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   42 and name HG21)
    or (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   42 and name HG22)
    or (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   42 and name HG23)
    or (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   42 and name HG21)
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   43 and name  HD1) 2.472 0.764 3.528 weight 1.000 ! spec=cnoesyH2O, no=986, id=1741, vol=3.722467e+08
    or (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   43 and name  HD1)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name   HA) 2.243 0.629 0.629 weight 1.000 ! spec=cnoesyH2O, no=996, id=1746, vol=6.654481e+08
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name   HA)
assign (segid "   A" and resid   48 and name  HG1) (segid "   A" and resid   48 and name  HD2) 2.300 0.661 0.661 weight 1.000 ! spec=cnoesyH2O, no=1046, id=1779, vol=5.726807e+08
    or (segid "   A" and resid   48 and name  HG1) (segid "   A" and resid   48 and name  HD1)
assign (segid "   A" and resid   48 and name  HG2) (segid "   A" and resid   52 and name  HB2) 2.418 0.731 0.731 weight 1.000 ! spec=cnoesyH2O, no=1091, id=1815, vol=4.241555e+08
    or (segid "   A" and resid   48 and name  HB2) (segid "   A" and resid   52 and name  HB2)
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   54 and name   HA) 2.049 0.525 3.951 weight 1.000 ! spec=cnoesyH2O, no=1110, id=1822, vol=1.147514e+09
    or (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   54 and name   HA)
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name  HG2) 2.696 0.909 0.909 weight 1.000 ! spec=cnoesyH2O, no=1146, id=1834, vol=2.209440e+08
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name  HG1)
assign (segid "   B" and resid   76 and name  HD2) (segid "   A" and resid   18 and name  HA2) 3.405 1.450 1.450 weight 1.000 ! spec=cnoesyH2O, no=1209, id=1849, vol=5.440244e+07
    or (segid "   B" and resid   76 and name  HD1) (segid "   A" and resid   18 and name  HA2)
assign (segid "   B" and resid   70 and name  HG1) (segid "   A" and resid    7 and name  HB2) 3.647 1.663 1.663 weight 1.000 ! spec=cnoesyH2O, no=1292, id=1869, vol=3.605188e+07
    or (segid "   B" and resid   70 and name  HB1) (segid "   A" and resid    7 and name  HB2)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB1) 3.084 1.189 1.189 weight 1.000 ! spec=nnoesy, no=16, id=76, vol=8.856065e+07
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB2) 2.114 0.558 0.558 weight 1.000 ! spec=nnoesy, no=20, id=80, vol=8.552383e+08
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HG2)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HG1)
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   48 and name  HB2) 3.110 1.209 1.209 weight 1.000 ! spec=nnoesy, no=30, id=89, vol=8.420613e+07
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   48 and name  HG2)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.402 0.721 0.721 weight 1.000 ! spec=nnoesy, no=68, id=124, vol=3.968193e+08
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HA) 2.596 0.843 0.843 weight 1.000 ! spec=nnoesy, no=74, id=127, vol=2.488777e+08
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HA)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HB1) 2.854 1.018 1.018 weight 1.000 ! spec=nnoesy, no=82, id=135, vol=1.409595e+08
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HB2)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HG2) 2.390 0.714 0.714 weight 1.000 ! spec=nnoesy, no=83, id=136, vol=4.085845e+08
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HG1)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HB1) 2.272 0.645 0.645 weight 1.000 ! spec=nnoesy, no=92, id=144, vol=5.538810e+08
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HB2)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name  HB1) 3.008 1.131 1.131 weight 1.000 ! spec=nnoesy, no=99, id=150, vol=1.030192e+08
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name  HB2)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name  HA1) 2.174 0.591 0.591 weight 1.000 ! spec=nnoesy, no=101, id=152, vol=7.224693e+08
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name  HA2)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB1) 2.565 0.822 0.822 weight 1.000 ! spec=nnoesy, no=119, id=167, vol=2.676370e+08
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name HG21) 2.388 0.713 0.713 weight 1.000 ! spec=nnoesy, no=125, id=171, vol=4.114500e+08
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name HG22)
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name HG23)
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name HG12)
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name HG11)
    or (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name HG13)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name   HG) 2.071 0.536 0.536 weight 1.000 ! spec=nnoesy, no=142, id=188, vol=9.655452e+08
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HB2)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   38 and name   HA) 2.608 0.850 0.850 weight 1.000 ! spec=nnoesy, no=145, id=191, vol=2.425753e+08
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   33 and name   HA)
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name HD21) 2.886 1.041 1.041 weight 1.000 ! spec=nnoesy, no=153, id=199, vol=1.318819e+08
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name HD23)
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name HD22)
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name HD13)
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name HD11)
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name HD12)
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   54 and name  HG2) 2.880 1.037 1.037 weight 1.000 ! spec=nnoesy, no=161, id=207, vol=1.336684e+08
    or (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   54 and name  HG1)
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   54 and name  HB1) 2.184 0.596 0.596 weight 1.000 ! spec=nnoesy, no=162, id=208, vol=7.028489e+08
    or (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   54 and name  HB2)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB2) 2.631 0.865 0.865 weight 1.000 ! spec=nnoesy, no=171, id=216, vol=2.299013e+08
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HD1) 2.807 0.985 0.985 weight 1.000 ! spec=nnoesy, no=177, id=222, vol=1.557644e+08
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HD2)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.440 0.744 0.744 weight 1.000 ! spec=nnoesy, no=181, id=226, vol=3.617306e+08
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB1) 2.704 0.914 0.914 weight 1.000 ! spec=nnoesy, no=185, id=230, vol=1.949752e+08
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name   HA) 2.751 0.946 0.946 weight 1.000 ! spec=nnoesy, no=186, id=231, vol=1.759690e+08
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name   HA)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   31 and name  HB1) 2.454 0.753 0.753 weight 1.000 ! spec=nnoesy, no=187, id=232, vol=3.493608e+08
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name  HG2) 2.774 0.962 0.962 weight 1.000 ! spec=nnoesy, no=193, id=238, vol=1.674524e+08
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name  HG1)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HG1) 2.421 0.733 0.733 weight 1.000 ! spec=nnoesy, no=194, id=239, vol=3.786596e+08
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HG2)
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   56 and name   HA) 2.152 0.579 0.579 weight 1.000 ! spec=nnoesy, no=208, id=252, vol=7.665890e+08
    or (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   55 and name   HA)
assign (segid "   A" and resid    5 and name HE21) (segid "   A" and resid    5 and name  HG2) 2.871 1.030 1.030 weight 1.000 ! spec=nnoesy, no=215, id=257, vol=1.361231e+08
    or (segid "   A" and resid    5 and name HE21) (segid "   A" and resid    5 and name  HG1)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB1) 3.270 1.336 1.336 weight 1.000 ! spec=nnoesy, no=282, id=308, vol=6.238806e+07
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB1) 2.427 0.736 0.736 weight 1.000 ! spec=nnoesy, no=288, id=313, vol=3.727548e+08
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB2)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HG2) 3.143 1.235 1.235 weight 1.000 ! spec=nnoesy, no=290, id=314, vol=7.906995e+07
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HG1)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB1) 2.981 1.111 1.111 weight 1.000 ! spec=nnoesy, no=294, id=318, vol=1.086976e+08
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB2)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HG2) 2.910 1.059 1.059 weight 1.000 ! spec=nnoesy, no=296, id=320, vol=1.254363e+08
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HG1)
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name  HB1) 2.160 0.583 0.583 weight 1.000 ! spec=nnoesy, no=302, id=325, vol=7.510528e+08
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name  HB2)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.485 0.772 0.772 weight 1.000 ! spec=nnoesy, no=311, id=334, vol=3.237850e+08
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB1) 3.110 1.209 1.209 weight 1.000 ! spec=nnoesy, no=323, id=346, vol=8.432970e+07
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name  HB1) 2.629 0.864 0.864 weight 1.000 ! spec=nnoesy, no=395, id=408, vol=2.306573e+08
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name   HA) 2.160 0.583 0.583 weight 1.000 ! spec=nnoesy, no=408, id=416, vol=7.510895e+08
    or (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name  HB1)
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   53 and name HD13) 3.602 1.622 1.622 weight 1.000 ! spec=nnoesy, no=416, id=424, vol=3.492810e+07
    or (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   53 and name HD11)
    or (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   53 and name HD12)
    or (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   53 and name HD21)
    or (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   53 and name HD23)
    or (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   53 and name HD22)
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   54 and name  HG1) 3.689 1.701 1.701 weight 1.000 ! spec=nnoesy, no=417, id=425, vol=3.023223e+07
    or (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   54 and name  HG2)
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG12) 2.910 1.058 1.058 weight 1.000 ! spec=nnoesy, no=424, id=431, vol=1.256795e+08
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG11)
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG13)
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG21)
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG22)
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG23)
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name  HB1) 2.656 0.882 0.882 weight 1.000 ! spec=nnoesy, no=426, id=433, vol=2.170402e+08
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name  HB2)
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name  HB2) 3.097 1.199 1.199 weight 1.000 ! spec=nnoesy, no=429, id=436, vol=8.647165e+07
    or (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name  HG2)
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name HG21) 2.718 0.924 0.924 weight 1.000 ! spec=nnoesy, no=434, id=440, vol=1.890511e+08
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name HG22)
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name HG23)
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name HG12)
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name HG11)
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name HG13)
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name  HB2) 3.007 1.130 1.130 weight 1.000 ! spec=nnoesy, no=437, id=443, vol=1.030833e+08
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   60 and name   HB)
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name  HB1) 2.549 0.812 0.812 weight 1.000 ! spec=nnoesy, no=443, id=448, vol=2.779736e+08
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name  HB2)
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   65 and name  HB1) 3.121 1.218 1.218 weight 1.000 ! spec=nnoesy, no=449, id=454, vol=8.241977e+07
    or (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   65 and name  HB2)
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   65 and name  HG2) 3.643 1.659 1.659 weight 1.000 ! spec=nnoesy, no=450, id=455, vol=3.260589e+07
    or (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   65 and name  HG1)
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   62 and name  HG2) 3.918 1.919 1.919 weight 1.000 ! spec=nnoesy, no=468, id=466, vol=2.106852e+07
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   62 and name  HG1)
assign (segid "   A" and resid    5 and name HE22) (segid "   A" and resid    5 and name  HG2) 3.639 1.655 1.655 weight 1.000 ! spec=nnoesy, no=475, id=471, vol=3.283933e+07
    or (segid "   A" and resid    5 and name HE22) (segid "   A" and resid    5 and name  HG1)
assign (segid "   A" and resid   54 and name HE21) (segid "   A" and resid   54 and name  HG2) 3.746 1.754 1.754 weight 1.000 ! spec=nnoesy, no=479, id=473, vol=2.760979e+07
    or (segid "   A" and resid   54 and name HE21) (segid "   A" and resid   54 and name  HG1)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HB1) 2.639 0.871 0.871 weight 1.000 ! spec=nnoesy, no=483, id=474, vol=2.254674e+08
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HB2)
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   51 and name  HB2) 2.671 0.892 0.892 weight 1.000 ! spec=nnoesy, no=517, id=490, vol=2.100966e+08
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   51 and name  HB1)
assign (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   76 and name  HB2) 2.238 0.626 0.626 weight 1.000 ! spec=noes..._new, no=10, id=1884, vol=4.307130e+05
    or (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   76 and name  HG1)
assign (segid "   B" and resid   78 and name   HN) (segid "   B" and resid   78 and name  HB1) 2.679 0.897 0.897 weight 1.000 ! spec=noes..._new, no=27, id=1896, vol=1.465150e+05
    or (segid "   B" and resid   78 and name   HN) (segid "   B" and resid   78 and name  HB2)
assign (segid "   B" and resid   73 and name HE21) (segid "   B" and resid   73 and name  HG1) 2.797 0.978 0.978 weight 1.000 ! spec=noes..._new, no=29, id=1898, vol=1.131110e+05
    or (segid "   B" and resid   73 and name HE21) (segid "   B" and resid   73 and name  HG2)
assign (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   76 and name  HD1) 3.318 1.376 1.376 weight 1.000 ! spec=noes..._new, no=30, id=1899, vol=4.062700e+04
    or (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   76 and name  HD2)
assign (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   73 and name  HG2) 3.042 1.157 1.157 weight 1.000 ! spec=noes..._new, no=31, id=1900, vol=6.840400e+04
    or (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   73 and name  HG1)
assign (segid "   B" and resid   70 and name  HD2) (segid "   B" and resid   70 and name  HB1) 1.743 0.380 0.380 weight 1.000 ! spec=noes..._new, no=60, id=1908, vol=1.930948e+06
    or (segid "   B" and resid   70 and name  HD1) (segid "   B" and resid   70 and name  HG1)
assign (segid "   B" and resid   70 and name  HD2) (segid "   B" and resid   70 and name  HG2) 2.555 0.816 0.816 weight 1.000 ! spec=noes..._new, no=63, id=1909, vol=1.947840e+05
    or (segid "   B" and resid   70 and name  HD1) (segid "   B" and resid   70 and name  HG2)
assign (segid "   B" and resid   72 and name  HB1) (segid "   B" and resid   72 and name   HA) 2.694 0.907 0.907 weight 1.000 ! spec=noes..._new, no=73, id=1911, vol=1.417120e+05
    or (segid "   B" and resid   72 and name  HB2) (segid "   B" and resid   72 and name   HA)
assign (segid "   B" and resid   73 and name  HB1) (segid "   B" and resid   73 and name   HA) 2.951 1.089 1.089 weight 1.000 ! spec=noes..._new, no=81, id=1914, vol=8.199400e+04
    or (segid "   B" and resid   73 and name  HB2) (segid "   B" and resid   73 and name   HA)
assign (segid "   B" and resid   73 and name HE22) (segid "   B" and resid   73 and name  HG1) 3.177 1.262 1.262 weight 1.000 ! spec=noes..._new, no=106, id=1920, vol=5.269700e+04
    or (segid "   B" and resid   73 and name HE22) (segid "   B" and resid   73 and name  HG2)
assign (segid "   B" and resid   76 and name  HG2) (segid "   B" and resid   76 and name  HD2) 3.280 1.345 1.345 weight 1.000 ! spec=noes..._new, no=123, id=1925, vol=4.350300e+04
    or (segid "   B" and resid   76 and name  HG2) (segid "   B" and resid   76 and name  HD1)
assign (segid "   B" and resid   70 and name  HB1) (segid "   B" and resid   70 and name   HA) 2.361 0.697 0.697 weight 1.000 ! spec=noes..._new, no=139, id=1930, vol=3.129170e+05
    or (segid "   B" and resid   70 and name  HG1) (segid "   B" and resid   70 and name   HA)
    or (segid "   B" and resid   76 and name  HB2) (segid "   B" and resid   76 and name   HA)
assign (segid "   B" and resid   77 and name  HB1) (segid "   B" and resid   76 and name   HA) 2.919 1.065 1.065 weight 1.000 ! spec=noes..._new, no=140, id=1931, vol=8.759400e+04
    or (segid "   B" and resid   77 and name  HB1) (segid "   B" and resid   78 and name   HA)
    or (segid "   B" and resid   77 and name  HG2) (segid "   B" and resid   76 and name   HA)
assign (segid "   B" and resid   76 and name  HG2) (segid "   B" and resid   76 and name   HA) 2.456 0.754 0.754 weight 1.000 ! spec=noes..._new, no=141, id=1932, vol=2.471140e+05
    or (segid "   B" and resid   70 and name  HG2) (segid "   B" and resid   70 and name   HA)
assign (segid "   B" and resid   76 and name   HE) (segid "   B" and resid   76 and name  HD2) 2.528 0.799 0.799 weight 1.000 ! spec=noesy2dxf, no=16, id=2040, vol=5.487505e+07
    or (segid "   B" and resid   76 and name   HE) (segid "   B" and resid   76 and name  HD1)
assign (segid "   B" and resid   78 and name  HB2) (segid "   B" and resid   78 and name   HA) 2.527 0.798 0.798 weight 1.000 ! spec=noesy2dxf, no=26, id=2047, vol=5.500551e+07
    or (segid "   B" and resid   78 and name  HB1) (segid "   B" and resid   78 and name   HA)
assign (segid "   B" and resid   76 and name  HD2) (segid "   B" and resid   76 and name   HA) 2.809 0.987 0.987 weight 1.000 ! spec=noesy2dxf, no=39, id=2051, vol=2.914507e+07
    or (segid "   B" and resid   76 and name  HD1) (segid "   B" and resid   76 and name   HA)
assign (segid "   B" and resid   76 and name  HD2) (segid "   B" and resid   76 and name  HB2) 2.157 0.582 0.582 weight 1.000 ! spec=noesy2dxf, no=46, id=2054, vol=1.421450e+08
    or (segid "   B" and resid   76 and name  HD1) (segid "   B" and resid   76 and name  HG1)
    or (segid "   B" and resid   76 and name  HD2) (segid "   B" and resid   76 and name  HG1)
assign (segid "   B" and resid   70 and name  HD1) (segid "   A" and resid    7 and name   HA) 2.691 0.905 0.905 weight 1.000 ! spec=xf_n..._D2O, no=1, id=1983, vol=7.693955e+07
    or (segid "   B" and resid   70 and name  HD2) (segid "   A" and resid    7 and name   HA)
assign (segid "   B" and resid   69 and name  HB2) (segid "   A" and resid   47 and name  HE3) 3.022 1.142 1.142 weight 1.000 ! spec=xf_n..._D2O, no=14, id=1987, vol=3.836468e+07
    or (segid "   B" and resid   69 and name  HB3) (segid "   A" and resid   47 and name  HE3)
    or (segid "   B" and resid   69 and name  HB1) (segid "   A" and resid   47 and name  HE3)
    or (segid "   B" and resid   70 and name  HG2) (segid "   A" and resid    7 and name HD21)
assign (segid "   B" and resid   72 and name  HE1) (segid "   A" and resid   20 and name HD13) 2.881 1.037 1.037 weight 1.000 ! spec=xf_n..._D2O, no=15, id=1988, vol=5.115531e+07
    or (segid "   B" and resid   72 and name  HE1) (segid "   A" and resid   20 and name HD11)
    or (segid "   B" and resid   72 and name  HE1) (segid "   A" and resid   20 and name HD12)
    or (segid "   B" and resid   72 and name  HE2) (segid "   A" and resid   20 and name HD13)
    or (segid "   B" and resid   72 and name  HE2) (segid "   A" and resid   20 and name HD11)
    or (segid "   B" and resid   72 and name  HE2) (segid "   A" and resid   20 and name HD12)
assign (segid "   B" and resid   72 and name  HE2) (segid "   A" and resid   20 and name  HB1) 3.183 1.267 1.267 weight 1.000 ! spec=xf_n..._D2O, no=17, id=1989, vol=2.809413e+07
    or (segid "   B" and resid   72 and name  HE1) (segid "   A" and resid   20 and name  HB1)
assign (segid "   B" and resid   69 and name  HB2) (segid "   A" and resid   45 and name  HA2) 2.814 0.990 3.186 weight 1.000 ! spec=xf_n..._D2O, no=23, id=1992, vol=5.880526e+07
    or (segid "   B" and resid   69 and name  HB3) (segid "   A" and resid   45 and name  HA2)
    or (segid "   B" and resid   69 and name  HB1) (segid "   A" and resid   45 and name  HA2)
    or (segid "   B" and resid   69 and name  HB2) (segid "   A" and resid   45 and name  HA1)
    or (segid "   B" and resid   69 and name  HB3) (segid "   A" and resid   45 and name  HA1)
    or (segid "   B" and resid   69 and name  HB1) (segid "   A" and resid   45 and name  HA1)
assign (segid "   B" and resid   76 and name  HG2) (segid "   A" and resid   18 and name  HA2) 2.419 0.732 0.732 weight 1.000 ! spec=xf_n..._D2O, no=54, id=1996, vol=1.457106e+08
    or (segid "   B" and resid   69 and name  HB2) (segid "   A" and resid   43 and name  HD2)
    or (segid "   B" and resid   69 and name  HB3) (segid "   A" and resid   43 and name  HD2)
    or (segid "   B" and resid   69 and name  HB1) (segid "   A" and resid   43 and name  HD2)
assign (segid "   B" and resid   69 and name  HB2) (segid "   A" and resid   43 and name  HB2) 2.614 0.854 0.854 weight 1.000 ! spec=xf_n..._D2O, no=56, id=1998, vol=9.159562e+07
    or (segid "   B" and resid   69 and name  HB3) (segid "   A" and resid   43 and name  HB2)
    or (segid "   B" and resid   69 and name  HB1) (segid "   A" and resid   43 and name  HB2)
    or (segid "   B" and resid   70 and name  HG2) (segid "   A" and resid    7 and name  HB1)
assign (segid "   A" and resid   42 and name HG22) (segid "   B" and resid   71 and name HG22) 1.978 0.489 0.489 weight 1.000 ! spec=xf_p..._new, no=3, id=2013, vol=1.024420e+08
    or (segid "   A" and resid   42 and name HG22) (segid "   B" and resid   71 and name HG21)
    or (segid "   A" and resid   42 and name HG22) (segid "   B" and resid   71 and name HG23)
    or (segid "   A" and resid   42 and name HG23) (segid "   B" and resid   71 and name HG22)
    or (segid "   A" and resid   42 and name HG23) (segid "   B" and resid   71 and name HG21)
    or (segid "   A" and resid   42 and name HG23) (segid "   B" and resid   71 and name HG23)
    or (segid "   A" and resid   42 and name HG21) (segid "   B" and resid   71 and name HG22)
    or (segid "   A" and resid   42 and name HG21) (segid "   B" and resid   71 and name HG21)
    or (segid "   A" and resid   42 and name HG21) (segid "   B" and resid   71 and name HG23)
    or (segid "   A" and resid   42 and name HD11) (segid "   B" and resid   71 and name HG22)
    or (segid "   A" and resid   42 and name HD11) (segid "   B" and resid   71 and name HG21)
    or (segid "   A" and resid   42 and name HD11) (segid "   B" and resid   71 and name HG23)
    or (segid "   A" and resid   42 and name HD12) (segid "   B" and resid   71 and name HG22)
    or (segid "   A" and resid   42 and name HD12) (segid "   B" and resid   71 and name HG21)
    or (segid "   A" and resid   42 and name HD12) (segid "   B" and resid   71 and name HG23)
    or (segid "   A" and resid   42 and name HD13) (segid "   B" and resid   71 and name HG22)
    or (segid "   A" and resid   42 and name HD13) (segid "   B" and resid   71 and name HG21)
    or (segid "   A" and resid   42 and name HD13) (segid "   B" and resid   71 and name HG23)
assign (segid "   A" and resid   20 and name HD13) (segid "   B" and resid   72 and name  HG2) 2.821 0.995 0.995 weight 1.000 ! spec=xf_p..._new, no=13, id=2022, vol=1.218314e+07
    or (segid "   A" and resid   20 and name HD11) (segid "   B" and resid   72 and name  HG2)
    or (segid "   A" and resid   20 and name HD12) (segid "   B" and resid   72 and name  HG2)
    or (segid "   A" and resid   20 and name HD13) (segid "   B" and resid   72 and name  HG1)
    or (segid "   A" and resid   20 and name HD11) (segid "   B" and resid   72 and name  HG1)
    or (segid "   A" and resid   20 and name HD12) (segid "   B" and resid   72 and name  HG1)

assign (resid 24 and name OD# ) 
     (resid 70 and name HH#)
  2.00 0.2 0.5