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
611529 2nan 25802 cing 1-original 2 XPLOR/CNS distance NOE ambi


! ambiguous distances
assign (resid 28 and name HG21) (resid 152 and name HD12) 3.200 1.280 1.280 weight 1.000 ! spec=HCH, no=151, id=3239, vol=1.190000e+07
    or (resid 28 and name HG21) (resid 152 and name HD11)
    or (resid 28 and name HG21) (resid 152 and name HD13)
    or (resid 28 and name HG22) (resid 152 and name HD12)
    or (resid 28 and name HG22) (resid 152 and name HD11)
    or (resid 28 and name HG22) (resid 152 and name HD13)
    or (resid 28 and name HG23) (resid 152 and name HD12)
    or (resid 28 and name HG23) (resid 152 and name HD11)
    or (resid 28 and name HG23) (resid 152 and name HD13)
    or (resid 28 and name HG21) (resid 30 and name HD12)
    or (resid 28 and name HG21) (resid 30 and name HD11)
    or (resid 28 and name HG21) (resid 30 and name HD13)
    or (resid 28 and name HG22) (resid 30 and name HD12)
    or (resid 28 and name HG22) (resid 30 and name HD11)
    or (resid 28 and name HG22) (resid 30 and name HD13)
    or (resid 28 and name HG23) (resid 30 and name HD12)
    or (resid 28 and name HG23) (resid 30 and name HD11)
    or (resid 28 and name HG23) (resid 30 and name HD13)
assign (resid 31 and name HA) (resid 29 and name HB2) 3.832 1.835 1.835 weight 1.000 ! spec=HCH, no=277, id=3359, vol=4.050000e+06
    or (resid 31 and name HA) (resid 29 and name HB1)
    or (resid 31 and name HA) (resid 37 and name HB1)
assign (resid 34 and name HB2) (resid 156 and name HB2) 3.700 1.712 1.712 weight 1.000 ! spec=HCH, no=383, id=3461, vol=4.990000e+06
    or (resid 34 and name HB2) (resid 156 and name HB1)
    or (resid 34 and name HB2) (resid 156 and name HB3)
    or (resid 34 and name HB2) (resid 157 and name HG11)
assign (resid 36 and name HB1) (resid 32 and name HB1) 4.126 2.128 2.128 weight 1.000 ! spec=HCH, no=477, id=3549, vol=2.600000e+06
    or (resid 36 and name HB1) (resid 153 and name HB2)
assign (resid 38 and name HD12) (resid 30 and name HB) 3.922 1.923 1.923 weight 1.000 ! spec=HCH, no=577, id=3642, vol=3.520000e+06
    or (resid 38 and name HD11) (resid 30 and name HB)
    or (resid 38 and name HD13) (resid 30 and name HB)
    or (resid 38 and name HD12) (resid 82 and name HG2)
    or (resid 38 and name HD11) (resid 82 and name HG2)
    or (resid 38 and name HD13) (resid 82 and name HG2)
assign (resid 40 and name HD12) (resid 55 and name HG1) 3.665 1.679 1.679 weight 1.000 ! spec=HCH, no=712, id=3772, vol=5.290000e+06
    or (resid 40 and name HD11) (resid 55 and name HG1)
    or (resid 40 and name HD13) (resid 55 and name HG1)
    or (resid 40 and name HD12) (resid 56 and name HB2)
    or (resid 40 and name HD11) (resid 56 and name HB2)
    or (resid 40 and name HD13) (resid 56 and name HB2)
assign (resid 40 and name HD12) (resid 59 and name HB2) 3.579 1.601 1.601 weight 1.000 ! spec=HCH, no=715, id=3775, vol=6.110000e+06
    or (resid 40 and name HD11) (resid 59 and name HB2)
    or (resid 40 and name HD13) (resid 59 and name HB2)
    or (resid 40 and name HD12) (resid 153 and name HB1)
    or (resid 40 and name HD11) (resid 153 and name HB1)
    or (resid 40 and name HD13) (resid 153 and name HB1)
assign (resid 40 and name HD12) (resid 59 and name HB1) 3.571 1.594 1.594 weight 1.000 ! spec=HCH, no=720, id=3780, vol=6.180000e+06
    or (resid 40 and name HD11) (resid 59 and name HB1)
    or (resid 40 and name HD13) (resid 59 and name HB1)
    or (resid 40 and name HD12) (resid 150 and name HA2)
    or (resid 40 and name HD11) (resid 150 and name HA2)
    or (resid 40 and name HD13) (resid 150 and name HA2)
assign (resid 55 and name HN) (resid 40 and name HD22) 2.947 1.085 1.085 weight 1.000 ! spec=HCH, no=749, id=3809, vol=1.960000e+07
    or (resid 55 and name HN) (resid 40 and name HD21)
    or (resid 55 and name HN) (resid 40 and name HD23)
    or (resid 40 and name HD22) (resid 59 and name HD2)
    or (resid 40 and name HD21) (resid 59 and name HD2)
    or (resid 40 and name HD23) (resid 59 and name HD2)
assign (resid 46 and name HG22) (resid 44 and name HB) 2.877 1.035 1.035 weight 1.000 ! spec=HCH, no=1048, id=4096, vol=2.260000e+07
    or (resid 46 and name HG21) (resid 44 and name HB)
    or (resid 46 and name HG23) (resid 44 and name HB)
    or (resid 45 and name HB1) (resid 46 and name HG22)
    or (resid 45 and name HB1) (resid 46 and name HG21)
    or (resid 45 and name HB1) (resid 46 and name HG23)
assign (resid 48 and name HB1) (resid 50 and name HG2) 3.535 1.562 1.562 weight 1.000 ! spec=HCH, no=1112, id=4158, vol=6.570000e+06
    or (resid 48 and name HB1) (resid 144 and name HG2)
    or (resid 48 and name HB1) (resid 144 and name HG1)
assign (resid 49 and name HB) (resid 46 and name HG12) 3.352 1.405 1.405 weight 1.000 ! spec=HCH, no=1149, id=4193, vol=9.030000e+06
    or (resid 49 and name HB) (resid 46 and name HG11)
    or (resid 49 and name HB) (resid 46 and name HG13)
    or (resid 49 and name HB) (resid 90 and name HD12)
    or (resid 49 and name HB) (resid 90 and name HD11)
    or (resid 49 and name HB) (resid 90 and name HD13)
assign (resid 49 and name HD12) (resid 105 and name HE1) 2.512 0.789 0.789 weight 1.000 ! spec=HCH, no=1177, id=4219, vol=5.100000e+07
    or (resid 49 and name HD12) (resid 105 and name HE2)
    or (resid 49 and name HD11) (resid 105 and name HE1)
    or (resid 49 and name HD11) (resid 105 and name HE2)
    or (resid 49 and name HD13) (resid 105 and name HE1)
    or (resid 49 and name HD13) (resid 105 and name HE2)
    or (resid 49 and name HD12) (resid 105 and name HZ)
    or (resid 49 and name HD11) (resid 105 and name HZ)
    or (resid 49 and name HD13) (resid 105 and name HZ)
assign (resid 49 and name HD12) (resid 144 and name HN) 3.075 1.182 1.182 weight 1.000 ! spec=HCH, no=1178, id=4220, vol=1.520000e+07
    or (resid 49 and name HD11) (resid 144 and name HN)
    or (resid 49 and name HD13) (resid 144 and name HN)
    or (resid 93 and name HN) (resid 49 and name HD12)
    or (resid 93 and name HN) (resid 49 and name HD11)
    or (resid 93 and name HN) (resid 49 and name HD13)
assign (resid 49 and name HG22) (resid 48 and name HN) 3.788 1.793 1.793 weight 1.000 ! spec=HCH, no=1231, id=4267, vol=4.340000e+06
    or (resid 49 and name HG21) (resid 48 and name HN)
    or (resid 49 and name HG23) (resid 48 and name HN)
    or (resid 49 and name HG22) (resid 145 and name HN)
    or (resid 49 and name HG21) (resid 145 and name HN)
    or (resid 49 and name HG23) (resid 145 and name HN)
assign (resid 49 and name HG22) (resid 105 and name HA) 3.579 1.601 1.601 weight 1.000 ! spec=HCH, no=1232, id=4268, vol=6.100000e+06
    or (resid 49 and name HG21) (resid 105 and name HA)
    or (resid 49 and name HG23) (resid 105 and name HA)
    or (resid 49 and name HG22) (resid 143 and name HA)
    or (resid 49 and name HG21) (resid 143 and name HA)
    or (resid 49 and name HG23) (resid 143 and name HA)
assign (resid 50 and name HA) (resid 52 and name HN) 3.305 1.365 1.365 weight 1.000 ! spec=HCH, no=1252, id=4288, vol=9.840000e+06
    or (resid 50 and name HA) (resid 105 and name HZ)
assign (resid 52 and name HN) (resid 50 and name HB2) 3.678 1.691 1.691 weight 1.000 ! spec=HCH, no=1269, id=4304, vol=5.180000e+06
    or (resid 50 and name HB2) (resid 105 and name HZ)
assign (resid 52 and name HG12) (resid 46 and name HA) 2.907 1.056 1.056 weight 1.000 ! spec=HCH, no=1348, id=4380, vol=2.130000e+07
    or (resid 52 and name HG11) (resid 46 and name HA)
    or (resid 52 and name HG13) (resid 46 and name HA)
    or (resid 52 and name HG12) (resid 51 and name HA)
    or (resid 52 and name HG11) (resid 51 and name HA)
    or (resid 52 and name HG13) (resid 51 and name HA)
assign (resid 52 and name HG22) (resid 46 and name HG12) 2.318 0.671 0.671 weight 1.000 ! spec=HCH, no=1382, id=4413, vol=8.280000e+07
    or (resid 52 and name HG22) (resid 46 and name HG11)
    or (resid 52 and name HG22) (resid 46 and name HG13)
    or (resid 52 and name HG21) (resid 46 and name HG12)
    or (resid 52 and name HG21) (resid 46 and name HG11)
    or (resid 52 and name HG21) (resid 46 and name HG13)
    or (resid 52 and name HG23) (resid 46 and name HG12)
    or (resid 52 and name HG23) (resid 46 and name HG11)
    or (resid 52 and name HG23) (resid 46 and name HG13)
    or (resid 52 and name HG22) (resid 90 and name HD12)
    or (resid 52 and name HG22) (resid 90 and name HD11)
    or (resid 52 and name HG22) (resid 90 and name HD13)
    or (resid 52 and name HG21) (resid 90 and name HD12)
    or (resid 52 and name HG21) (resid 90 and name HD11)
    or (resid 52 and name HG21) (resid 90 and name HD13)
    or (resid 52 and name HG23) (resid 90 and name HD12)
    or (resid 52 and name HG23) (resid 90 and name HD11)
    or (resid 52 and name HG23) (resid 90 and name HD13)
assign (resid 53 and name HB2) (resid 54 and name HA) 3.767 1.774 1.774 weight 1.000 ! spec=HCH, no=1394, id=4425, vol=4.490000e+06
    or (resid 53 and name HB2) (resid 63 and name HA)
assign (resid 54 and name HN) (resid 53 and name HG1) 3.130 1.224 1.224 weight 1.000 ! spec=HCH, no=1415, id=4445, vol=1.370000e+07
    or (resid 53 and name HN) (resid 53 and name HG1)
assign (resid 55 and name HB1) (resid 44 and name HG22) 3.715 1.725 1.725 weight 1.000 ! spec=HCH, no=1458, id=4486, vol=4.880000e+06
    or (resid 55 and name HB1) (resid 44 and name HG21)
    or (resid 55 and name HB1) (resid 44 and name HG23)
    or (resid 55 and name HB1) (resid 152 and name HD12)
    or (resid 55 and name HB1) (resid 152 and name HD11)
    or (resid 55 and name HB1) (resid 152 and name HD13)
assign (resid 57 and name HG21) (resid 53 and name HD1) 3.284 1.348 1.348 weight 1.000 ! spec=HCH, no=1546, id=4569, vol=1.020000e+07
    or (resid 57 and name HG22) (resid 53 and name HD1)
    or (resid 57 and name HG23) (resid 53 and name HD1)
    or (resid 57 and name HG21) (resid 63 and name HG1)
    or (resid 57 and name HG22) (resid 63 and name HG1)
    or (resid 57 and name HG23) (resid 63 and name HG1)
assign (resid 58 and name HB2) (resid 59 and name HA) 3.664 1.678 1.678 weight 1.000 ! spec=HCH, no=1567, id=4589, vol=5.300000e+06
    or (resid 58 and name HB2) (resid 54 and name HA)
assign (resid 56 and name HB2) (resid 62 and name HA) 2.478 0.768 0.768 weight 1.000 ! spec=HCH, no=1656, id=4674, vol=5.540000e+07
    or (resid 62 and name HA) (resid 62 and name HB2)
assign (resid 63 and name HB1) (resid 49 and name HD12) 3.827 1.831 1.831 weight 1.000 ! spec=HCH, no=1679, id=4689, vol=4.080000e+06
    or (resid 63 and name HB1) (resid 49 and name HD11)
    or (resid 63 and name HB1) (resid 49 and name HD13)
    or (resid 63 and name HB1) (resid 64 and name HG12)
assign (resid 93 and name HN) (resid 63 and name HE2) 2.365 0.699 0.699 weight 1.000 ! spec=HCH, no=1703, id=4711, vol=7.320000e+07
    or (resid 93 and name HN) (resid 63 and name HE1)
    or (resid 93 and name HN) (resid 63 and name HE3)
    or (resid 64 and name HN) (resid 63 and name HE2)
    or (resid 64 and name HN) (resid 63 and name HE1)
    or (resid 64 and name HN) (resid 63 and name HE3)
    or (resid 92 and name HN) (resid 63 and name HE2)
    or (resid 92 and name HN) (resid 63 and name HE1)
    or (resid 92 and name HN) (resid 63 and name HE3)
assign (resid 63 and name HB1) (resid 63 and name HE2) 1.917 0.460 0.460 weight 1.000 ! spec=HCH, no=1704, id=4712, vol=2.580000e+08
    or (resid 63 and name HB1) (resid 63 and name HE1)
    or (resid 63 and name HB1) (resid 63 and name HE3)
    or (resid 63 and name HE2) (resid 63 and name HG2)
    or (resid 63 and name HE1) (resid 63 and name HG2)
    or (resid 63 and name HE3) (resid 63 and name HG2)
assign (resid 64 and name HA) (resid 154 and name HE2) 3.357 1.409 1.409 weight 1.000 ! spec=HCH, no=1762, id=4768, vol=8.960000e+06
    or (resid 64 and name HA) (resid 154 and name HE1)
    or (resid 64 and name HA) (resid 153 and name HB1)
assign (resid 64 and name HD12) (resid 152 and name HN) 3.522 1.550 1.550 weight 1.000 ! spec=HCH, no=1793, id=4798, vol=6.720000e+06
    or (resid 64 and name HD11) (resid 152 and name HN)
    or (resid 64 and name HD13) (resid 152 and name HN)
    or (resid 64 and name HD12) (resid 153 and name HN)
    or (resid 64 and name HD11) (resid 153 and name HN)
    or (resid 64 and name HD13) (resid 153 and name HN)
assign (resid 64 and name HD12) (resid 64 and name HN) 2.918 1.065 1.065 weight 1.000 ! spec=HCH, no=1795, id=4800, vol=2.080000e+07
    or (resid 64 and name HD11) (resid 64 and name HN)
    or (resid 64 and name HD13) (resid 64 and name HN)
    or (resid 64 and name HD12) (resid 92 and name HN)
    or (resid 64 and name HD11) (resid 92 and name HN)
    or (resid 64 and name HD13) (resid 92 and name HN)
assign (resid 64 and name HG22) (resid 152 and name HB1) 2.092 0.547 0.547 weight 1.000 ! spec=HCH, no=1828, id=4832, vol=1.530000e+08
    or (resid 64 and name HG21) (resid 152 and name HB1)
    or (resid 64 and name HG23) (resid 152 and name HB1)
    or (resid 64 and name HG22) (resid 64 and name HB)
    or (resid 64 and name HG21) (resid 64 and name HB)
    or (resid 64 and name HG23) (resid 64 and name HB)
assign (resid 64 and name HG22) (resid 75 and name HG22) 2.571 0.826 0.826 weight 1.000 ! spec=HCH, no=1829, id=4833, vol=4.440000e+07
    or (resid 64 and name HG22) (resid 75 and name HG21)
    or (resid 64 and name HG22) (resid 75 and name HG23)
    or (resid 64 and name HG21) (resid 75 and name HG22)
    or (resid 64 and name HG21) (resid 75 and name HG21)
    or (resid 64 and name HG21) (resid 75 and name HG23)
    or (resid 64 and name HG23) (resid 75 and name HG22)
    or (resid 64 and name HG23) (resid 75 and name HG21)
    or (resid 64 and name HG23) (resid 75 and name HG23)
    or (resid 64 and name HG22) (resid 79 and name HD22)
    or (resid 64 and name HG22) (resid 79 and name HD21)
    or (resid 64 and name HG22) (resid 79 and name HD23)
    or (resid 64 and name HG21) (resid 79 and name HD22)
    or (resid 64 and name HG21) (resid 79 and name HD21)
    or (resid 64 and name HG21) (resid 79 and name HD23)
    or (resid 64 and name HG23) (resid 79 and name HD22)
    or (resid 64 and name HG23) (resid 79 and name HD21)
    or (resid 64 and name HG23) (resid 79 and name HD23)
assign (resid 64 and name HG22) (resid 37 and name HB2) 4.016 2.016 2.016 weight 1.000 ! spec=HCH, no=1845, id=4849, vol=3.060000e+06
    or (resid 64 and name HG21) (resid 37 and name HB2)
    or (resid 64 and name HG23) (resid 37 and name HB2)
    or (resid 64 and name HG22) (resid 65 and name HB2)
    or (resid 64 and name HG21) (resid 65 and name HB2)
    or (resid 64 and name HG23) (resid 65 and name HB2)
assign (resid 66 and name HB) (resid 104 and name HE1) 3.881 1.883 1.883 weight 1.000 ! spec=HCH, no=1915, id=4915, vol=3.750000e+06
    or (resid 138 and name HE1) (resid 66 and name HB)
assign (resid 66 and name HD12) (resid 68 and name HA) 3.961 1.961 1.961 weight 1.000 ! spec=HCH, no=1937, id=4936, vol=3.320000e+06
    or (resid 66 and name HD11) (resid 68 and name HA)
    or (resid 66 and name HD13) (resid 68 and name HA)
    or (resid 66 and name HD12) (resid 136 and name HA2)
    or (resid 66 and name HD11) (resid 136 and name HA2)
    or (resid 66 and name HD13) (resid 136 and name HA2)
assign (resid 72 and name HD22) (resid 66 and name HG22) 3.341 1.395 1.395 weight 1.000 ! spec=HCH, no=2014, id=5009, vol=9.220000e+06
    or (resid 72 and name HD22) (resid 66 and name HG21)
    or (resid 72 and name HD22) (resid 66 and name HG23)
    or (resid 66 and name HG22) (resid 113 and name HN)
    or (resid 66 and name HG21) (resid 113 and name HN)
    or (resid 66 and name HG23) (resid 113 and name HN)
assign (resid 65 and name HA) (resid 66 and name HG22) 3.071 1.179 1.179 weight 1.000 ! spec=HCH, no=2016, id=5011, vol=1.530000e+07
    or (resid 65 and name HA) (resid 66 and name HG21)
    or (resid 65 and name HA) (resid 66 and name HG23)
    or (resid 66 and name HG22) (resid 114 and name HN)
    or (resid 66 and name HG21) (resid 114 and name HN)
    or (resid 66 and name HG23) (resid 114 and name HN)
assign (resid 68 and name HA) (resid 70 and name HG1) 3.798 1.803 1.803 weight 1.000 ! spec=HCH, no=2067, id=5061, vol=4.270000e+06
    or (resid 68 and name HA) (resid 72 and name HB2)
assign (resid 68 and name HD22) (resid 68 and name HB2) 3.108 1.208 1.208 weight 1.000 ! spec=HCH, no=2079, id=5072, vol=1.420000e+07
    or (resid 68 and name HN) (resid 68 and name HB2)
assign (resid 70 and name HG1) (resid 73 and name HB2) 3.933 1.934 1.934 weight 1.000 ! spec=HCH, no=2192, id=5181, vol=3.460000e+06
    or (resid 70 and name HG1) (resid 73 and name HB1)
    or (resid 70 and name HG1) (resid 73 and name HB3)
    or (resid 70 and name HG1) (resid 33 and name HG1)
assign (resid 71 and name HA) (resid 74 and name HB2) 2.511 0.788 0.788 weight 1.000 ! spec=HCH, no=2210, id=5197, vol=5.120000e+07
    or (resid 71 and name HA) (resid 71 and name HG2)
assign (resid 71 and name HG2) (resid 75 and name HD12) 3.276 1.341 1.341 weight 1.000 ! spec=HCH, no=2225, id=5212, vol=1.040000e+07
    or (resid 71 and name HG2) (resid 75 and name HD11)
    or (resid 71 and name HG2) (resid 75 and name HD13)
    or (resid 71 and name HG2) (resid 66 and name HG12)
assign (resid 72 and name HA) (resid 66 and name HB) 2.830 1.001 1.001 weight 1.000 ! spec=HCH, no=2252, id=5238, vol=2.500000e+07
    or (resid 72 and name HA) (resid 75 and name HB)
assign (resid 73 and name HB2) (resid 32 and name HE1) 3.511 1.541 1.541 weight 1.000 ! spec=HCH, no=2319, id=5302, vol=6.850000e+06
    or (resid 73 and name HB2) (resid 32 and name HE2)
    or (resid 73 and name HB1) (resid 32 and name HE1)
    or (resid 73 and name HB1) (resid 32 and name HE2)
    or (resid 73 and name HB3) (resid 32 and name HE1)
    or (resid 73 and name HB3) (resid 32 and name HE2)
    or (resid 73 and name HB2) (resid 112 and name HE1)
    or (resid 73 and name HB2) (resid 112 and name HE2)
    or (resid 73 and name HB1) (resid 112 and name HE1)
    or (resid 73 and name HB1) (resid 112 and name HE2)
    or (resid 73 and name HB3) (resid 112 and name HE1)
    or (resid 73 and name HB3) (resid 112 and name HE2)
assign (resid 75 and name HD12) (resid 72 and name HN) 3.519 1.548 1.548 weight 1.000 ! spec=HCH, no=2400, id=5381, vol=6.750000e+06
    or (resid 75 and name HD11) (resid 72 and name HN)
    or (resid 75 and name HD13) (resid 72 and name HN)
    or (resid 75 and name HD12) (resid 78 and name HN)
    or (resid 75 and name HD11) (resid 78 and name HN)
    or (resid 75 and name HD13) (resid 78 and name HN)
assign (resid 75 and name HG22) (resid 131 and name HG) 2.733 0.934 0.934 weight 1.000 ! spec=HCH, no=2439, id=5417, vol=3.070000e+07
    or (resid 75 and name HG21) (resid 131 and name HG)
    or (resid 75 and name HG23) (resid 131 and name HG)
    or (resid 75 and name HG22) (resid 64 and name HG11)
    or (resid 75 and name HG21) (resid 64 and name HG11)
    or (resid 75 and name HG23) (resid 64 and name HG11)
assign (resid 75 and name HG22) (resid 79 and name HG) 2.541 0.807 0.807 weight 1.000 ! spec=HCH, no=2443, id=5421, vol=4.760000e+07
    or (resid 75 and name HG21) (resid 79 and name HG)
    or (resid 75 and name HG23) (resid 79 and name HG)
    or (resid 75 and name HG22) (resid 152 and name HB1)
    or (resid 75 and name HG21) (resid 152 and name HB1)
    or (resid 75 and name HG23) (resid 152 and name HB1)
assign (resid 76 and name HA) (resid 131 and name HG) 3.058 1.169 1.169 weight 1.000 ! spec=HCH, no=2465, id=5443, vol=1.570000e+07
    or (resid 76 and name HA) (resid 79 and name HB2)
assign (resid 76 and name HB1) (resid 133 and name HA) 3.610 1.629 1.629 weight 1.000 ! spec=HCH, no=2479, id=5456, vol=5.800000e+06
    or (resid 76 and name HB1) (resid 136 and name HA2)
assign (resid 76 and name HD12) (resid 131 and name HA) 3.317 1.376 1.376 weight 1.000 ! spec=HCH, no=2506, id=5479, vol=9.620000e+06
    or (resid 76 and name HD11) (resid 131 and name HA)
    or (resid 76 and name HD13) (resid 131 and name HA)
    or (resid 76 and name HD12) (resid 135 and name HA)
    or (resid 76 and name HD11) (resid 135 and name HA)
    or (resid 76 and name HD13) (resid 135 and name HA)
assign (resid 76 and name HD12) (resid 74 and name HB1) 3.530 1.557 1.557 weight 1.000 ! spec=HCH, no=2513, id=5485, vol=6.630000e+06
    or (resid 76 and name HD11) (resid 74 and name HB1)
    or (resid 76 and name HD13) (resid 74 and name HB1)
    or (resid 76 and name HD12) (resid 88 and name HB2)
    or (resid 76 and name HD12) (resid 88 and name HB1)
    or (resid 76 and name HD11) (resid 88 and name HB2)
    or (resid 76 and name HD11) (resid 88 and name HB1)
    or (resid 76 and name HD13) (resid 88 and name HB2)
    or (resid 76 and name HD13) (resid 88 and name HB1)
assign (resid 78 and name HA) (resid 81 and name HD2) 3.092 1.195 1.195 weight 1.000 ! spec=HCH, no=2620, id=5587, vol=1.470000e+07
    or (resid 78 and name HA) (resid 81 and name HD1)
    or (resid 78 and name HA) (resid 82 and name HB2)
assign (resid 78 and name HB) (resid 81 and name HB2) 3.634 1.651 1.651 weight 1.000 ! spec=HCH, no=2630, id=5596, vol=5.570000e+06
    or (resid 78 and name HB) (resid 82 and name HB1)
    or (resid 78 and name HB) (resid 79 and name HG)
assign (resid 78 and name HG21) (resid 81 and name HE2) 3.393 1.439 1.439 weight 1.000 ! spec=HCH, no=2637, id=5602, vol=8.410000e+06
    or (resid 78 and name HG21) (resid 81 and name HE1)
    or (resid 78 and name HG22) (resid 81 and name HE2)
    or (resid 78 and name HG22) (resid 81 and name HE1)
    or (resid 78 and name HG23) (resid 81 and name HE2)
    or (resid 78 and name HG23) (resid 81 and name HE1)
    or (resid 75 and name HA) (resid 78 and name HG21)
    or (resid 75 and name HA) (resid 78 and name HG22)
    or (resid 75 and name HA) (resid 78 and name HG23)
assign (resid 83 and name HN) (resid 78 and name HG21) 3.368 1.418 1.418 weight 1.000 ! spec=HCH, no=2648, id=5612, vol=8.790000e+06
    or (resid 83 and name HN) (resid 78 and name HG22)
    or (resid 83 and name HN) (resid 78 and name HG23)
    or (resid 82 and name HN) (resid 78 and name HG21)
    or (resid 82 and name HN) (resid 78 and name HG22)
    or (resid 82 and name HN) (resid 78 and name HG23)
assign (resid 79 and name HD12) (resid 83 and name HA) 3.269 1.336 1.336 weight 1.000 ! spec=HCH, no=2690, id=5653, vol=1.050000e+07
    or (resid 79 and name HD11) (resid 83 and name HA)
    or (resid 79 and name HD13) (resid 83 and name HA)
    or (resid 79 and name HD12) (resid 89 and name HA)
    or (resid 79 and name HD11) (resid 89 and name HA)
    or (resid 79 and name HD13) (resid 89 and name HA)
assign (resid 79 and name HD12) (resid 40 and name HN) 3.766 1.773 1.773 weight 1.000 ! spec=HCH, no=2696, id=5658, vol=4.490000e+06
    or (resid 79 and name HD11) (resid 40 and name HN)
    or (resid 79 and name HD13) (resid 40 and name HN)
    or (resid 79 and name HD12) (resid 152 and name HN)
    or (resid 79 and name HD11) (resid 152 and name HN)
    or (resid 79 and name HD13) (resid 152 and name HN)
assign (resid 79 and name HD22) (resid 80 and name HN) 3.402 1.447 1.447 weight 1.000 ! spec=HCH, no=2737, id=5699, vol=8.270000e+06
    or (resid 79 and name HD21) (resid 80 and name HN)
    or (resid 79 and name HD23) (resid 80 and name HN)
    or (resid 78 and name HN) (resid 79 and name HD22)
    or (resid 78 and name HN) (resid 79 and name HD21)
    or (resid 78 and name HN) (resid 79 and name HD23)
assign (resid 83 and name HB2) (resid 79 and name HB2) 3.468 1.504 1.504 weight 1.000 ! spec=HCH, no=2938, id=5889, vol=7.370000e+06
    or (resid 83 and name HB2) (resid 84 and name HG2)
    or (resid 83 and name HB2) (resid 84 and name HG1)
assign (resid 86 and name HD2) (resid 89 and name HD12) 3.195 1.276 1.276 weight 1.000 ! spec=HCH, no=3056, id=5998, vol=1.200000e+07
    or (resid 86 and name HD2) (resid 89 and name HD11)
    or (resid 86 and name HD2) (resid 89 and name HD13)
    or (resid 86 and name HD2) (resid 133 and name HD12)
    or (resid 86 and name HD2) (resid 133 and name HD11)
    or (resid 86 and name HD2) (resid 133 and name HD13)
assign (resid 86 and name HD1) (resid 89 and name HD12) 3.304 1.364 1.364 weight 1.000 ! spec=HCH, no=3057, id=5999, vol=9.860000e+06
    or (resid 86 and name HD1) (resid 89 and name HD11)
    or (resid 86 and name HD1) (resid 89 and name HD13)
    or (resid 86 and name HD1) (resid 133 and name HD12)
    or (resid 86 and name HD1) (resid 133 and name HD11)
    or (resid 86 and name HD1) (resid 133 and name HD13)
assign (resid 86 and name HG1) (resid 88 and name HN) 3.654 1.669 1.669 weight 1.000 ! spec=HCH, no=3089, id=6031, vol=5.380000e+06
    or (resid 86 and name HG1) (resid 85 and name HN)
assign (resid 86 and name HG1) (resid 84 and name HD2) 3.955 1.955 1.955 weight 1.000 ! spec=HCH, no=3093, id=6035, vol=3.350000e+06
    or (resid 86 and name HG1) (resid 84 and name HD1)
    or (resid 86 and name HG1) (resid 90 and name HB1)
assign (resid 89 and name HG22) (resid 86 and name HB1) 3.242 1.314 1.314 weight 1.000 ! spec=HCH, no=3232, id=6163, vol=1.100000e+07
    or (resid 89 and name HG21) (resid 86 and name HB1)
    or (resid 89 and name HG23) (resid 86 and name HB1)
    or (resid 89 and name HG22) (resid 88 and name HB2)
    or (resid 89 and name HG22) (resid 88 and name HB1)
    or (resid 89 and name HG21) (resid 88 and name HB2)
    or (resid 89 and name HG21) (resid 88 and name HB1)
    or (resid 89 and name HG23) (resid 88 and name HB2)
    or (resid 89 and name HG23) (resid 88 and name HB1)
assign (resid 90 and name HD22) (resid 49 and name HG11) 2.981 1.111 1.111 weight 1.000 ! spec=HCH, no=3367, id=6292, vol=1.830000e+07
    or (resid 90 and name HD21) (resid 49 and name HG11)
    or (resid 90 and name HD23) (resid 49 and name HG11)
    or (resid 90 and name HD22) (resid 93 and name HG2)
    or (resid 90 and name HD22) (resid 93 and name HG1)
    or (resid 90 and name HD21) (resid 93 and name HG2)
    or (resid 90 and name HD21) (resid 93 and name HG1)
    or (resid 90 and name HD23) (resid 93 and name HG2)
    or (resid 90 and name HD23) (resid 93 and name HG1)
assign (resid 91 and name HD22) (resid 115 and name HZ3) 3.326 1.382 1.382 weight 1.000 ! spec=HCH, no=3472, id=6386, vol=9.480000e+06
    or (resid 91 and name HD21) (resid 115 and name HZ3)
    or (resid 91 and name HD23) (resid 115 and name HZ3)
    or (resid 91 and name HD22) (resid 115 and name HZ2)
    or (resid 91 and name HD21) (resid 115 and name HZ2)
    or (resid 91 and name HD23) (resid 115 and name HZ2)
assign (resid 130 and name HN) (resid 91 and name HD22) 2.835 1.005 1.005 weight 1.000 ! spec=HCH, no=3503, id=6417, vol=2.470000e+07
    or (resid 130 and name HN) (resid 91 and name HD21)
    or (resid 130 and name HN) (resid 91 and name HD23)
    or (resid 131 and name HN) (resid 91 and name HD22)
    or (resid 131 and name HN) (resid 91 and name HD21)
    or (resid 131 and name HN) (resid 91 and name HD23)
assign (resid 64 and name HG22) (resid 92 and name HA1) 3.336 1.391 1.391 weight 1.000 ! spec=HCH, no=3551, id=6463, vol=9.310000e+06
    or (resid 64 and name HG21) (resid 92 and name HA1)
    or (resid 64 and name HG23) (resid 92 and name HA1)
    or (resid 92 and name HA1) (resid 91 and name HB2)
assign (resid 94 and name HB1) (resid 105 and name HZ) 3.224 1.299 1.299 weight 1.000 ! spec=HCH, no=3635, id=6541, vol=1.140000e+07
    or (resid 94 and name HB1) (resid 105 and name HE1)
    or (resid 94 and name HB1) (resid 105 and name HE2)
assign (resid 101 and name HB2) (resid 103 and name HG2) 3.432 1.472 1.472 weight 1.000 ! spec=HCH, no=3946, id=6829, vol=7.850000e+06
    or (resid 101 and name HB1) (resid 103 and name HG2)
assign (resid 113 and name HA) (resid 112 and name HE1) 3.402 1.446 1.446 weight 1.000 ! spec=HCH, no=4230, id=7096, vol=8.280000e+06
    or (resid 113 and name HA) (resid 112 and name HE2)
    or (resid 113 and name HA) (resid 115 and name HD1)
assign (resid 125 and name HB) (resid 142 and name HD21) 3.840 1.843 1.843 weight 1.000 ! spec=HCH, no=4684, id=7528, vol=4.000000e+06
    or (resid 127 and name HN) (resid 125 and name HB)
assign (resid 125 and name HG12) (resid 128 and name HA) 3.974 1.974 1.974 weight 1.000 ! spec=HCH, no=4701, id=7544, vol=3.250000e+06
    or (resid 125 and name HG11) (resid 128 and name HA)
    or (resid 125 and name HG13) (resid 128 and name HA)
    or (resid 125 and name HG12) (resid 142 and name HA)
    or (resid 125 and name HG11) (resid 142 and name HA)
    or (resid 125 and name HG13) (resid 142 and name HA)
assign (resid 125 and name HG22) (resid 128 and name HA) 3.865 1.868 1.868 weight 1.000 ! spec=HCH, no=4763, id=7600, vol=3.840000e+06
    or (resid 125 and name HG21) (resid 128 and name HA)
    or (resid 125 and name HG23) (resid 128 and name HA)
    or (resid 125 and name HG22) (resid 142 and name HA)
    or (resid 125 and name HG21) (resid 142 and name HA)
    or (resid 125 and name HG23) (resid 142 and name HA)
assign (resid 131 and name HD12) (resid 88 and name HB2) 3.212 1.290 1.290 weight 1.000 ! spec=HCH, no=4976, id=7801, vol=1.170000e+07
    or (resid 131 and name HD12) (resid 88 and name HB1)
    or (resid 131 and name HD11) (resid 88 and name HB2)
    or (resid 131 and name HD11) (resid 88 and name HB1)
    or (resid 131 and name HD13) (resid 88 and name HB2)
    or (resid 131 and name HD13) (resid 88 and name HB1)
    or (resid 131 and name HD12) (resid 138 and name HB2)
    or (resid 131 and name HD11) (resid 138 and name HB2)
    or (resid 131 and name HD13) (resid 138 and name HB2)
assign (resid 131 and name HD12) (resid 137 and name HG1) 3.267 1.334 1.334 weight 1.000 ! spec=HCH, no=4994, id=7816, vol=1.050000e+07
    or (resid 131 and name HD11) (resid 137 and name HG1)
    or (resid 131 and name HD13) (resid 137 and name HG1)
    or (resid 131 and name HD12) (resid 137 and name HB2)
    or (resid 131 and name HD11) (resid 137 and name HB2)
    or (resid 131 and name HD13) (resid 137 and name HB2)
assign (resid 131 and name HD22) (resid 88 and name HB2) 3.537 1.564 1.564 weight 1.000 ! spec=HCH, no=5028, id=7850, vol=6.540000e+06
    or (resid 131 and name HD22) (resid 88 and name HB1)
    or (resid 131 and name HD21) (resid 88 and name HB2)
    or (resid 131 and name HD21) (resid 88 and name HB1)
    or (resid 131 and name HD23) (resid 88 and name HB2)
    or (resid 131 and name HD23) (resid 88 and name HB1)
    or (resid 131 and name HD22) (resid 138 and name HB2)
    or (resid 131 and name HD21) (resid 138 and name HB2)
    or (resid 131 and name HD23) (resid 138 and name HB2)
assign (resid 131 and name HD22) (resid 91 and name HA) 3.567 1.591 1.591 weight 1.000 ! spec=HCH, no=5039, id=7860, vol=6.220000e+06
    or (resid 131 and name HD21) (resid 91 and name HA)
    or (resid 131 and name HD23) (resid 91 and name HA)
    or (resid 131 and name HD22) (resid 137 and name HA)
    or (resid 131 and name HD21) (resid 137 and name HA)
    or (resid 131 and name HD23) (resid 137 and name HA)
assign (resid 132 and name HA) (resid 131 and name HB1) 3.831 1.835 1.835 weight 1.000 ! spec=HCH, no=5081, id=7902, vol=4.050000e+06
    or (resid 132 and name HA) (resid 134 and name HB2)
    or (resid 132 and name HA) (resid 134 and name HB1)
assign (resid 134 and name HA) (resid 76 and name HG) 3.157 1.246 1.246 weight 1.000 ! spec=HCH, no=5195, id=8008, vol=1.300000e+07
    or (resid 134 and name HA) (resid 133 and name HB)
assign (resid 137 and name HB1) (resid 114 and name HE2) 3.704 1.715 1.715 weight 1.000 ! spec=HCH, no=5317, id=8122, vol=4.960000e+06
    or (resid 132 and name HB2) (resid 137 and name HB1)
assign (resid 138 and name HA) (resid 116 and name HG21) 3.386 1.433 1.433 weight 1.000 ! spec=HCH, no=5343, id=8148, vol=8.510000e+06
    or (resid 138 and name HA) (resid 116 and name HG22)
    or (resid 138 and name HA) (resid 116 and name HG23)
    or (resid 138 and name HA) (resid 131 and name HG)
assign (resid 138 and name HB1) (resid 91 and name HA) 3.875 1.877 1.877 weight 1.000 ! spec=HCH, no=5364, id=8168, vol=3.780000e+06
    or (resid 138 and name HB1) (resid 137 and name HA)
assign (resid 140 and name HB1) (resid 124 and name HD22) 3.273 1.339 1.339 weight 1.000 ! spec=HCH, no=5477, id=8279, vol=1.040000e+07
    or (resid 140 and name HB1) (resid 124 and name HD21)
    or (resid 140 and name HB1) (resid 124 and name HD23)
    or (resid 140 and name HB1) (resid 124 and name HD12)
    or (resid 140 and name HB1) (resid 124 and name HD11)
    or (resid 140 and name HB1) (resid 124 and name HD13)
assign (resid 142 and name HA) (resid 90 and name HD22) 3.292 1.354 1.354 weight 1.000 ! spec=HCH, no=5564, id=8363, vol=1.010000e+07
    or (resid 142 and name HA) (resid 90 and name HD21)
    or (resid 142 and name HA) (resid 90 and name HD23)
    or (resid 124 and name HD22) (resid 142 and name HA)
    or (resid 124 and name HD21) (resid 142 and name HA)
    or (resid 124 and name HD23) (resid 142 and name HA)
assign (resid 49 and name HG22) (resid 143 and name HB2) 3.407 1.451 1.451 weight 1.000 ! spec=HCH, no=5594, id=8390, vol=8.190000e+06
    or (resid 49 and name HG21) (resid 143 and name HB2)
    or (resid 49 and name HG23) (resid 143 and name HB2)
    or (resid 49 and name HD12) (resid 143 and name HB2)
    or (resid 49 and name HD11) (resid 143 and name HB2)
    or (resid 49 and name HD13) (resid 143 and name HB2)
assign (resid 150 and name HA2) (resid 41 and name HB1) 3.222 1.298 1.298 weight 1.000 ! spec=HCH, no=5858, id=8638, vol=1.150000e+07
    or (resid 41 and name HG1) (resid 150 and name HA2)
assign (resid 150 and name HA1) (resid 41 and name HB1) 3.284 1.348 1.348 weight 1.000 ! spec=HCH, no=5860, id=8640, vol=1.020000e+07
    or (resid 41 and name HG1) (resid 150 and name HA1)
assign (resid 151 and name HG21) (resid 56 and name HB1) 3.439 1.479 1.479 weight 1.000 ! spec=HCH, no=5896, id=8673, vol=7.750000e+06
    or (resid 151 and name HG22) (resid 56 and name HB1)
    or (resid 151 and name HG23) (resid 56 and name HB1)
    or (resid 151 and name HG21) (resid 153 and name HB1)
    or (resid 151 and name HG22) (resid 153 and name HB1)
    or (resid 151 and name HG23) (resid 153 and name HB1)
assign (resid 151 and name HG21) (resid 152 and name HA) 3.299 1.361 1.361 weight 1.000 ! spec=HCH, no=5914, id=8691, vol=9.940000e+06
    or (resid 151 and name HG22) (resid 152 and name HA)
    or (resid 151 and name HG23) (resid 152 and name HA)
    or (resid 64 and name HG22) (resid 152 and name HA)
    or (resid 64 and name HG21) (resid 152 and name HA)
    or (resid 64 and name HG23) (resid 152 and name HA)
assign (resid 152 and name HD12) (resid 74 and name HD1) 4.049 2.049 2.049 weight 1.000 ! spec=HCH, no=5958, id=8733, vol=2.910000e+06
    or (resid 152 and name HD12) (resid 74 and name HD2)
    or (resid 152 and name HD11) (resid 74 and name HD1)
    or (resid 152 and name HD11) (resid 74 and name HD2)
    or (resid 152 and name HD13) (resid 74 and name HD1)
    or (resid 152 and name HD13) (resid 74 and name HD2)
    or (resid 152 and name HD12) (resid 74 and name HE2)
    or (resid 152 and name HD11) (resid 74 and name HE2)
    or (resid 152 and name HD13) (resid 74 and name HE2)
assign (resid 64 and name HN) (resid 152 and name HD12) 3.512 1.542 1.542 weight 1.000 ! spec=HCH, no=5964, id=8739, vol=6.830000e+06
    or (resid 64 and name HN) (resid 152 and name HD11)
    or (resid 64 and name HN) (resid 152 and name HD13)
    or (resid 152 and name HD12) (resid 79 and name HN)
    or (resid 152 and name HD11) (resid 79 and name HN)
    or (resid 152 and name HD13) (resid 79 and name HN)
assign (resid 64 and name HN) (resid 152 and name HD22) 3.375 1.424 1.424 weight 1.000 ! spec=HCH, no=6002, id=8777, vol=8.670000e+06
    or (resid 64 and name HN) (resid 152 and name HD21)
    or (resid 64 and name HN) (resid 152 and name HD23)
    or (resid 152 and name HD22) (resid 79 and name HN)
    or (resid 152 and name HD21) (resid 79 and name HN)
    or (resid 152 and name HD23) (resid 79 and name HN)
assign (resid 64 and name HG22) (resid 153 and name HA) 3.226 1.301 1.301 weight 1.000 ! spec=HCH, no=6048, id=8820, vol=1.140000e+07
    or (resid 64 and name HG21) (resid 153 and name HA)
    or (resid 64 and name HG23) (resid 153 and name HA)
    or (resid 151 and name HG21) (resid 153 and name HA)
    or (resid 151 and name HG22) (resid 153 and name HA)
    or (resid 151 and name HG23) (resid 153 and name HA)
assign (resid 153 and name HA) (resid 64 and name HB) 3.398 1.443 1.443 weight 1.000 ! spec=HCH, no=6056, id=8828, vol=8.330000e+06
    or (resid 153 and name HA) (resid 152 and name HB1)
assign (resid 157 and name HB) (resid 157 and name HG22) 2.288 0.654 0.654 weight 1.000 ! spec=HCH, no=6248, id=9012, vol=8.950000e+07
    or (resid 157 and name HB) (resid 157 and name HG21)
    or (resid 157 and name HB) (resid 157 and name HG23)
    or (resid 157 and name HB) (resid 157 and name HD12)
    or (resid 157 and name HB) (resid 157 and name HD11)
    or (resid 157 and name HB) (resid 157 and name HD13)
assign (resid 32 and name HN) (resid 157 and name HD12) 3.510 1.540 1.540 weight 1.000 ! spec=HCH, no=6257, id=9020, vol=6.860000e+06
    or (resid 32 and name HN) (resid 157 and name HD11)
    or (resid 32 and name HN) (resid 157 and name HD13)
    or (resid 157 and name HD12) (resid 36 and name HN)
    or (resid 157 and name HD11) (resid 36 and name HN)
    or (resid 157 and name HD13) (resid 36 and name HN)
assign (resid 158 and name HA) (resid 157 and name HG22) 3.546 1.572 1.572 weight 1.000 ! spec=HCH, no=6321, id=9082, vol=6.450000e+06
    or (resid 158 and name HA) (resid 157 and name HG21)
    or (resid 158 and name HA) (resid 157 and name HG23)
    or (resid 158 and name HA) (resid 157 and name HD12)
    or (resid 158 and name HA) (resid 157 and name HD11)
    or (resid 158 and name HA) (resid 157 and name HD13)
assign (resid 29 and name HD1) (resid 24 and name HB2) 3.357 1.409 1.409 weight 1.000 ! spec=HCHaro, no=10, id=9211, vol=4.750000e+06
    or (resid 29 and name HD1) (resid 24 and name HB1)
assign (resid 29 and name HZ2) (resid 82 and name HE21) 2.937 1.078 1.078 weight 1.000 ! spec=HCHaro, no=46, id=9243, vol=1.060000e+07
    or (resid 29 and name HZ2) (resid 31 and name HE21)
    or (resid 29 and name HZ2) (resid 52 and name HN)
assign (resid 29 and name HZ2) (resid 25 and name HG1) 2.882 1.038 1.038 weight 1.000 ! spec=HCHaro, no=47, id=9244, vol=1.190000e+07
    or (resid 61 and name HB2) (resid 29 and name HZ2)
    or (resid 61 and name HB1) (resid 29 and name HZ2)
    or (resid 61 and name HB3) (resid 29 and name HZ2)
assign (resid 37 and name HD1) (resid 29 and name HZ3) 3.252 1.322 1.322 weight 1.000 ! spec=HCHaro, no=133, id=9327, vol=5.750000e+06
    or (resid 32 and name HD1) (resid 37 and name HD1)
    or (resid 37 and name HD1) (resid 32 and name HD2)
assign (resid 59 and name HE1) (resid 59 and name HD2) 3.281 1.345 1.345 weight 1.000 ! spec=HCHaro, no=215, id=9406, vol=5.460000e+06
    or (resid 59 and name HE1) (resid 59 and name HN)
assign (resid 59 and name HE1) (resid 42 and name HG2) 3.661 1.675 1.675 weight 1.000 ! spec=HCHaro, no=220, id=9411, vol=2.830000e+06
    or (resid 59 and name HE1) (resid 42 and name HG1)
    or (resid 59 and name HE1) (resid 55 and name HB2)
assign (resid 74 and name HD1) (resid 72 and name HN) 3.773 1.779 1.779 weight 1.000 ! spec=HCHaro, no=253, id=9441, vol=2.360000e+06
    or (resid 78 and name HN) (resid 74 and name HD1)
assign (resid 74 and name HE2) (resid 37 and name HB1) 3.563 1.587 1.587 weight 1.000 ! spec=HCHaro, no=281, id=9468, vol=3.330000e+06
    or (resid 74 and name HE2) (resid 78 and name HB)
assign (resid 83 and name HD1) (resid 82 and name HB1) 3.451 1.489 1.489 weight 1.000 ! spec=HCHaro, no=324, id=9508, vol=4.030000e+06
    or (resid 83 and name HD1) (resid 30 and name HG11)
assign (resid 30 and name HB) (resid 83 and name HZ2) 2.826 0.998 0.998 weight 1.000 ! spec=HCHaro, no=372, id=9552, vol=1.340000e+07
    or (resid 83 and name HZ2) (resid 82 and name HG2)
assign (resid 93 and name HB2) (resid 94 and name HD1) 3.052 1.164 1.164 weight 1.000 ! spec=HCHaro, no=407, id=9585, vol=8.420000e+06
    or (resid 94 and name HD1) (resid 103 and name HB1)
assign (resid 96 and name HB1) (resid 95 and name HD1) 3.280 1.344 1.344 weight 1.000 ! spec=HCHaro, no=458, id=9632, vol=5.470000e+06
    or (resid 95 and name HD1) (resid 102 and name HB1)
assign (resid 102 and name HD1) (resid 49 and name HG22) 3.509 1.539 1.539 weight 1.000 ! spec=HCHaro, no=506, id=9675, vol=3.650000e+06
    or (resid 102 and name HD1) (resid 49 and name HG21)
    or (resid 102 and name HD1) (resid 49 and name HG23)
    or (resid 102 and name HD1) (resid 49 and name HD12)
    or (resid 102 and name HD1) (resid 49 and name HD11)
    or (resid 102 and name HD1) (resid 49 and name HD13)
assign (resid 104 and name HZ2) (resid 65 and name HA) 3.381 1.429 1.429 weight 1.000 ! spec=HCHaro, no=603, id=9766, vol=4.560000e+06
    or (resid 104 and name HZ2) (resid 110 and name HG1)
assign (resid 138 and name HE1) (resid 112 and name HD1) 3.659 1.674 1.674 weight 1.000 ! spec=HCHaro, no=664, id=9823, vol=2.840000e+06
    or (resid 112 and name HD1) (resid 104 and name HE1)
assign (resid 115 and name HH2) (resid 115 and name HZ3) 2.019 0.509 0.509 weight 1.000 ! spec=HCHaro, no=723, id=9880, vol=1.010000e+08
    or (resid 115 and name HH2) (resid 115 and name HZ2)
assign (resid 138 and name HD1) (resid 137 and name HB2) 3.402 1.447 1.447 weight 1.000 ! spec=HCHaro, no=845, id=9996, vol=4.390000e+06
    or (resid 138 and name HD1) (resid 137 and name HG1)
assign (resid 138 and name HD1) (resid 114 and name HN) 3.430 1.470 1.470 weight 1.000 ! spec=HCHaro, no=855, id=10005, vol=4.180000e+06
    or (resid 138 and name HD1) (resid 132 and name HB2)
assign (resid 159 and name HD1) (resid 157 and name HG11) 3.378 1.426 1.426 weight 1.000 ! spec=HCHaro, no=946, id=10089, vol=4.580000e+06
    or (resid 159 and name HD1) (resid 160 and name HG2)
    or (resid 159 and name HD1) (resid 160 and name HG1)
assign (resid 29 and name HE1) (resid 26 and name HB2) 3.504 1.535 1.535 weight 1.000 ! spec=HNH, no=78, id=72, vol=1.170000e+07
    or (resid 29 and name HE1) (resid 28 and name HB)
assign (resid 31 and name HN) (resid 31 and name HE21) 4.125 2.126 2.126 weight 1.000 ! spec=HNH, no=133, id=125, vol=4.400000e+06
    or (resid 31 and name HN) (resid 82 and name HE21)
assign (resid 31 and name HN) (resid 29 and name HB2) 4.167 2.170 2.170 weight 1.000 ! spec=HNH, no=136, id=127, vol=4.140000e+06
    or (resid 31 and name HN) (resid 29 and name HB1)
    or (resid 31 and name HN) (resid 37 and name HB1)
assign (resid 31 and name HN) (resid 29 and name HE3) 4.429 2.452 2.452 weight 1.000 ! spec=HNH, no=144, id=135, vol=2.870000e+06
    or (resid 31 and name HN) (resid 31 and name HE22)
assign (resid 31 and name HE22) (resid 23 and name HA) 3.501 1.532 1.532 weight 1.000 ! spec=HNH, no=168, id=157, vol=1.180000e+07
    or (resid 31 and name HE22) (resid 34 and name HA)
assign (resid 32 and name HN) (resid 34 and name HB2) 4.306 2.318 2.318 weight 1.000 ! spec=HNH, no=205, id=188, vol=3.400000e+06
    or (resid 32 and name HN) (resid 34 and name HB1)
    or (resid 32 and name HN) (resid 36 and name HB2)
assign (resid 32 and name HN) (resid 75 and name HA) 4.123 2.125 2.125 weight 1.000 ! spec=HNH, no=208, id=190, vol=4.410000e+06
    or (resid 32 and name HN) (resid 81 and name HE2)
    or (resid 32 and name HN) (resid 81 and name HE1)
assign (resid 32 and name HN) (resid 154 and name HG1) 4.071 2.071 2.071 weight 1.000 ! spec=HNH, no=210, id=192, vol=4.760000e+06
    or (resid 32 and name HN) (resid 33 and name HG2)
assign (resid 33 and name HN) (resid 31 and name HG2) 3.337 1.392 1.392 weight 1.000 ! spec=HNH, no=230, id=211, vol=1.570000e+07
    or (resid 33 and name HN) (resid 32 and name HB1)
assign (resid 36 and name HN) (resid 156 and name HB2) 3.510 1.540 1.540 weight 1.000 ! spec=HNH, no=333, id=310, vol=1.160000e+07
    or (resid 36 and name HN) (resid 156 and name HB1)
    or (resid 36 and name HN) (resid 156 and name HB3)
    or (resid 36 and name HN) (resid 157 and name HG11)
assign (resid 37 and name HN) (resid 30 and name HD12) 3.650 1.665 1.665 weight 1.000 ! spec=HNH, no=359, id=333, vol=9.170000e+06
    or (resid 37 and name HN) (resid 30 and name HD11)
    or (resid 37 and name HN) (resid 30 and name HD13)
    or (resid 37 and name HN) (resid 152 and name HD12)
    or (resid 37 and name HN) (resid 152 and name HD11)
    or (resid 37 and name HN) (resid 152 and name HD13)
assign (resid 38 and name HN) (resid 39 and name HN) 3.445 1.484 1.484 weight 1.000 ! spec=HNH, no=394, id=365, vol=1.300000e+07
    or (resid 38 and name HN) (resid 83 and name HH2)
assign (resid 39 and name HN) (resid 30 and name HB) 3.750 1.757 1.757 weight 1.000 ! spec=HNH, no=412, id=382, vol=7.790000e+06
    or (resid 39 and name HN) (resid 41 and name HG1)
assign (resid 40 and name HN) (resid 40 and name HB2) 2.437 0.742 0.742 weight 1.000 ! spec=HNH, no=425, id=393, vol=1.030000e+08
    or (resid 40 and name HN) (resid 40 and name HG)
assign (resid 41 and name HE21) (resid 80 and name HG1) 4.126 2.128 2.128 weight 1.000 ! spec=HNH, no=462, id=429, vol=4.390000e+06
    or (resid 41 and name HE21) (resid 152 and name HG)
assign (resid 41 and name HE21) (resid 86 and name HB2) 3.835 1.839 1.839 weight 1.000 ! spec=HNH, no=463, id=430, vol=6.810000e+06
    or (resid 41 and name HE21) (resid 39 and name HB2)
assign (resid 41 and name HE22) (resid 86 and name HB2) 4.035 2.035 2.035 weight 1.000 ! spec=HNH, no=476, id=443, vol=5.020000e+06
    or (resid 41 and name HE22) (resid 39 and name HB2)
assign (resid 43 and name HN) (resid 42 and name HG2) 3.047 1.161 1.161 weight 1.000 ! spec=HNH, no=512, id=476, vol=2.710000e+07
    or (resid 43 and name HN) (resid 42 and name HG1)
    or (resid 43 and name HN) (resid 149 and name HB1)
assign (resid 45 and name HN) (resid 47 and name HG2) 3.903 1.904 1.904 weight 1.000 ! spec=HNH, no=544, id=506, vol=6.130000e+06
    or (resid 45 and name HN) (resid 47 and name HG1)
    or (resid 45 and name HN) (resid 148 and name HB)
assign (resid 48 and name HN) (resid 45 and name HG1) 3.945 1.945 1.945 weight 1.000 ! spec=HNH, no=608, id=567, vol=5.750000e+06
    or (resid 48 and name HN) (resid 53 and name HG1)
assign (resid 53 and name HE) (resid 56 and name HB2) 3.823 1.827 1.827 weight 1.000 ! spec=HNH, no=752, id=702, vol=6.930000e+06
    or (resid 53 and name HE) (resid 62 and name HB2)
assign (resid 55 and name HE21) (resid 45 and name HN) 4.061 2.062 2.062 weight 1.000 ! spec=HNH, no=841, id=785, vol=4.830000e+06
    or (resid 55 and name HE21) (resid 54 and name HN)
assign (resid 64 and name HN) (resid 152 and name HD22) 3.389 1.436 1.436 weight 1.000 ! spec=HNH, no=1056, id=988, vol=1.430000e+07
    or (resid 64 and name HN) (resid 152 and name HD21)
    or (resid 64 and name HN) (resid 152 and name HD23)
    or (resid 64 and name HN) (resid 152 and name HD12)
    or (resid 64 and name HN) (resid 152 and name HD11)
    or (resid 64 and name HN) (resid 152 and name HD13)
assign (resid 65 and name HN) (resid 37 and name HD1) 4.366 2.383 2.383 weight 1.000 ! spec=HNH, no=1075, id=1006, vol=3.130000e+06
    or (resid 65 and name HN) (resid 37 and name HD2)
    or (resid 65 and name HN) (resid 67 and name HD2)
assign (resid 66 and name HN) (resid 67 and name HB2) 3.733 1.742 1.742 weight 1.000 ! spec=HNH, no=1099, id=1028, vol=8.010000e+06
    or (resid 66 and name HN) (resid 154 and name HE2)
    or (resid 66 and name HN) (resid 154 and name HE1)
assign (resid 68 and name HD21) (resid 69 and name HN) 3.592 1.612 1.612 weight 1.000 ! spec=HNH, no=1156, id=1082, vol=1.010000e+07
    or (resid 68 and name HD21) (resid 70 and name HN)
assign (resid 71 and name HN) (resid 73 and name HB2) 3.534 1.561 1.561 weight 1.000 ! spec=HNH, no=1206, id=1129, vol=1.110000e+07
    or (resid 71 and name HN) (resid 73 and name HB1)
    or (resid 71 and name HN) (resid 73 and name HB3)
    or (resid 71 and name HN) (resid 33 and name HG1)
assign (resid 72 and name HD21) (resid 69 and name HG2) 4.191 2.195 2.195 weight 1.000 ! spec=HNH, no=1255, id=1175, vol=4.000000e+06
    or (resid 72 and name HD21) (resid 74 and name HB2)
assign (resid 73 and name HN) (resid 76 and name HD22) 3.506 1.536 1.536 weight 1.000 ! spec=HNH, no=1318, id=1236, vol=1.170000e+07
    or (resid 73 and name HN) (resid 76 and name HD21)
    or (resid 73 and name HN) (resid 76 and name HD23)
    or (resid 73 and name HN) (resid 131 and name HD12)
    or (resid 73 and name HN) (resid 131 and name HD11)
    or (resid 73 and name HN) (resid 131 and name HD13)
assign (resid 73 and name HN) (resid 68 and name HN) 3.859 1.861 1.861 weight 1.000 ! spec=HNH, no=1319, id=1237, vol=6.560000e+06
    or (resid 73 and name HN) (resid 112 and name HD1)
    or (resid 73 and name HN) (resid 112 and name HD2)
assign (resid 72 and name HN) (resid 75 and name HN) 3.444 1.482 1.482 weight 1.000 ! spec=HNH, no=1364, id=1279, vol=1.300000e+07
    or (resid 75 and name HN) (resid 78 and name HN)
assign (resid 75 and name HN) (resid 37 and name HE1) 3.673 1.687 1.687 weight 1.000 ! spec=HNH, no=1367, id=1282, vol=8.820000e+06
    or (resid 75 and name HN) (resid 37 and name HE2)
    or (resid 75 and name HN) (resid 32 and name HE1)
    or (resid 75 and name HN) (resid 32 and name HE2)
assign (resid 77 and name HN) (resid 79 and name HB2) 3.836 1.839 1.839 weight 1.000 ! spec=HNH, no=1424, id=1335, vol=6.800000e+06
    or (resid 77 and name HN) (resid 80 and name HG2)
    or (resid 77 and name HN) (resid 131 and name HG)
assign (resid 77 and name HN) (resid 79 and name HD22) 3.422 1.464 1.464 weight 1.000 ! spec=HNH, no=1426, id=1337, vol=1.350000e+07
    or (resid 77 and name HN) (resid 79 and name HD21)
    or (resid 77 and name HN) (resid 79 and name HD23)
    or (resid 77 and name HN) (resid 131 and name HD22)
    or (resid 77 and name HN) (resid 131 and name HD21)
    or (resid 77 and name HN) (resid 131 and name HD23)
assign (resid 78 and name HN) (resid 74 and name HD1) 3.904 1.905 1.905 weight 1.000 ! spec=HNH, no=1446, id=1356, vol=6.120000e+06
    or (resid 78 and name HN) (resid 74 and name HD2)
    or (resid 78 and name HN) (resid 74 and name HE2)
assign (resid 83 and name HN) (resid 79 and name HB2) 3.655 1.670 1.670 weight 1.000 ! spec=HNH, no=1575, id=1477, vol=9.090000e+06
    or (resid 83 and name HN) (resid 84 and name HG2)
    or (resid 83 and name HN) (resid 84 and name HG1)
assign (resid 83 and name HE1) (resid 83 and name HZ3) 3.833 1.836 1.836 weight 1.000 ! spec=HNH, no=1619, id=1514, vol=6.840000e+06
    or (resid 83 and name HE1) (resid 39 and name HD1)
    or (resid 83 and name HE1) (resid 39 and name HD2)
assign (resid 83 and name HE1) (resid 82 and name HA) 4.043 2.043 2.043 weight 1.000 ! spec=HNH, no=1621, id=1516, vol=4.960000e+06
    or (resid 83 and name HE1) (resid 28 and name HA)
assign (resid 94 and name HN) (resid 94 and name HZ) 3.952 1.952 1.952 weight 1.000 ! spec=HNH, no=1845, id=1723, vol=5.690000e+06
    or (resid 94 and name HN) (resid 105 and name HE1)
    or (resid 94 and name HN) (resid 105 and name HE2)
    or (resid 94 and name HN) (resid 105 and name HZ)
assign (resid 96 and name HN) (resid 102 and name HN) 3.183 1.266 1.266 weight 1.000 ! spec=HNH, no=1891, id=1766, vol=2.080000e+07
    or (resid 96 and name HN) (resid 103 and name HN)
assign (resid 96 and name HN) (resid 95 and name HB1) 3.017 1.138 1.138 weight 1.000 ! spec=HNH, no=1898, id=1773, vol=2.870000e+07
    or (resid 96 and name HN) (resid 103 and name HE2)
assign (resid 96 and name HN) (resid 97 and name HB) 3.956 1.956 1.956 weight 1.000 ! spec=HNH, no=1900, id=1775, vol=5.650000e+06
    or (resid 96 and name HN) (resid 103 and name HA)
assign (resid 103 and name HN) (resid 93 and name HG2) 3.261 1.330 1.330 weight 1.000 ! spec=HNH, no=2023, id=1890, vol=1.800000e+07
    or (resid 103 and name HN) (resid 93 and name HG1)
    or (resid 103 and name HN) (resid 103 and name HD1)
assign (resid 105 and name HN) (resid 63 and name HB1) 3.782 1.788 1.788 weight 1.000 ! spec=HNH, no=2086, id=1949, vol=7.400000e+06
    or (resid 105 and name HN) (resid 106 and name HB2)
assign (resid 106 and name HN) (resid 93 and name HB2) 3.987 1.987 1.987 weight 1.000 ! spec=HNH, no=2106, id=1968, vol=5.390000e+06
    or (resid 106 and name HN) (resid 93 and name HE2)
    or (resid 106 and name HN) (resid 93 and name HE1)
    or (resid 106 and name HN) (resid 93 and name HE3)
assign (resid 115 and name HE1) (resid 115 and name HB1) 3.424 1.465 1.465 weight 1.000 ! spec=HNH, no=2275, id=2124, vol=1.340000e+07
    or (resid 115 and name HE1) (resid 113 and name HA)
assign (resid 118 and name HE22) (resid 118 and name HA) 3.998 1.998 1.998 weight 1.000 ! spec=HNH, no=2346, id=2189, vol=5.310000e+06
    or (resid 118 and name HE22) (resid 141 and name HA1)
assign (resid 130 and name HN) (resid 91 and name HB1) 3.542 1.569 1.569 weight 1.000 ! spec=HNH, no=2549, id=2379, vol=1.100000e+07
    or (resid 130 and name HN) (resid 139 and name HG1)
assign (resid 131 and name HN) (resid 133 and name HA) 4.505 2.537 2.537 weight 1.000 ! spec=HNH, no=2581, id=2408, vol=2.590000e+06
    or (resid 131 and name HN) (resid 136 and name HA2)
assign (resid 131 and name HN) (resid 91 and name HG) 2.861 1.023 1.023 weight 1.000 ! spec=HNH, no=2589, id=2414, vol=3.950000e+07
    or (resid 131 and name HN) (resid 131 and name HG)
assign (resid 132 and name HN) (resid 130 and name HA) 4.119 2.121 2.121 weight 1.000 ! spec=HNH, no=2617, id=2441, vol=4.440000e+06
    or (resid 132 and name HN) (resid 139 and name HA)
assign (resid 137 and name HN) (resid 131 and name HG) 3.073 1.181 1.181 weight 1.000 ! spec=HNH, no=2763, id=2577, vol=2.570000e+07
    or (resid 137 and name HN) (resid 135 and name HG21)
    or (resid 137 and name HN) (resid 135 and name HG22)
    or (resid 137 and name HN) (resid 135 and name HG23)
assign (resid 138 and name HN) (resid 114 and name HE2) 3.408 1.452 1.452 weight 1.000 ! spec=HNH, no=2783, id=2596, vol=1.380000e+07
    or (resid 114 and name HN) (resid 138 and name HN)
assign (resid 138 and name HN) (resid 115 and name HB2) 3.609 1.628 1.628 weight 1.000 ! spec=HNH, no=2784, id=2597, vol=9.810000e+06
    or (resid 138 and name HN) (resid 114 and name HE1)
assign (resid 138 and name HE1) (resid 137 and name HB2) 4.089 2.090 2.090 weight 1.000 ! spec=HNH, no=2817, id=2629, vol=4.630000e+06
    or (resid 138 and name HE1) (resid 137 and name HG2)
assign (resid 140 and name HN) (resid 115 and name HE3) 3.333 1.388 1.388 weight 1.000 ! spec=HNH, no=2881, id=2690, vol=1.580000e+07
    or (resid 118 and name HE21) (resid 140 and name HN)
assign (resid 142 and name HD21) (resid 49 and name HB) 3.688 1.700 1.700 weight 1.000 ! spec=HNH, no=2957, id=2759, vol=8.610000e+06
    or (resid 142 and name HD21) (resid 144 and name HB1)
assign (resid 152 and name HN) (resid 64 and name HA) 3.776 1.783 1.783 weight 1.000 ! spec=HNH, no=3138, id=2926, vol=7.470000e+06
    or (resid 152 and name HN) (resid 150 and name HA2)
assign (resid 152 and name HN) (resid 152 and name HD22) 2.965 1.099 1.099 weight 1.000 ! spec=HNH, no=3141, id=2929, vol=3.190000e+07
    or (resid 152 and name HN) (resid 152 and name HD21)
    or (resid 152 and name HN) (resid 152 and name HD23)
    or (resid 152 and name HN) (resid 152 and name HD12)
    or (resid 152 and name HN) (resid 152 and name HD11)
    or (resid 152 and name HN) (resid 152 and name HD13)
assign (resid 155 and name HN) (resid 153 and name HB1) 3.392 1.438 1.438 weight 1.000 ! spec=HNH, no=3214, id=2997, vol=1.420000e+07
    or (resid 155 and name HN) (resid 154 and name HE2)
    or (resid 155 and name HN) (resid 154 and name HE1)



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