NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
555820 | 2lrs | 18393 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
assign (segid " " and resid 23 and name HE3) (segid " " and resid 18 and name HA) 2.663 0.887 0.887 weight 1.000 ! spec=2doesy, no=2, id=1475, vol=3.960000e+05 assign (segid " " and resid 23 and name HE3) (segid " " and resid 24 and name HD1) 4.148 2.151 2.151 weight 1.000 ! spec=2doesy, no=3, id=1476, vol=2.775000e+04 assign (segid " " and resid 38 and name HE1) (segid " " and resid 36 and name HD2) 3.638 1.655 1.655 weight 1.000 ! spec=2doesy, no=6, id=1478, vol=6.094000e+04 or (segid " " and resid 38 and name HE1) (segid " " and resid 36 and name HD1) assign (segid " " and resid 23 and name HB2) (segid " " and resid 23 and name HE3) 3.027 1.145 1.145 weight 1.000 ! spec=2doesy, no=8, id=1479, vol=1.838000e+05 assign (segid " " and resid 38 and name HE1) (segid " " and resid 38 and name HB1) 3.728 1.737 1.737 weight 1.000 ! spec=2doesy, no=9, id=1480, vol=5.266000e+04 assign (segid " " and resid 23 and name HE3) (segid " " and resid 23 and name HB1) 2.865 1.026 1.026 weight 1.000 ! spec=2doesy, no=10, id=1481, vol=2.555000e+05 assign (segid " " and resid 23 and name HZ2) (segid " " and resid 21 and name HE2) 3.496 1.528 1.528 weight 1.000 ! spec=2doesy, no=11, id=1482, vol=7.738000e+04 assign (segid " " and resid 23 and name HZ2) (segid " " and resid 21 and name HE1) 3.449 1.487 1.487 weight 1.000 ! spec=2doesy, no=13, id=1484, vol=8.404000e+04 assign (segid " " and resid 38 and name HE1) (segid " " and resid 36 and name HB2) 2.947 1.085 1.085 weight 1.000 ! spec=2doesy, no=14, id=1485, vol=2.159000e+05 assign (segid " " and resid 38 and name HE1) (segid " " and resid 36 and name HG2) 2.818 0.992 0.992 weight 1.000 ! spec=2doesy, no=23, id=1488, vol=2.825000e+05 or (segid " " and resid 38 and name HE1) (segid " " and resid 36 and name HG1) assign (segid " " and resid 38 and name HE1) (segid " " and resid 36 and name HB1) 2.618 0.857 0.857 weight 1.000 ! spec=2doesy, no=25, id=1489, vol=4.391000e+05 assign (segid " " and resid 38 and name HE1) (segid " " and resid 37 and name HB2) 3.897 1.898 1.898 weight 1.000 ! spec=2doesy, no=27, id=1491, vol=4.035000e+04 or (segid " " and resid 38 and name HE1) (segid " " and resid 37 and name HB1) or (segid " " and resid 38 and name HE1) (segid " " and resid 37 and name HB3) assign (segid " " and resid 23 and name HZ2) (segid " " and resid 82 and name HD12) 3.234 1.308 1.308 weight 1.000 ! spec=2doesy, no=33, id=1495, vol=1.235000e+05 or (segid " " and resid 23 and name HZ2) (segid " " and resid 82 and name HD11) or (segid " " and resid 23 and name HZ2) (segid " " and resid 82 and name HD13) assign (segid " " and resid 48 and name HG22) (segid " " and resid 23 and name HE3) 2.939 1.080 1.080 weight 1.000 ! spec=2doesy, no=35, id=1497, vol=2.194000e+05 or (segid " " and resid 48 and name HG21) (segid " " and resid 23 and name HE3) or (segid " " and resid 48 and name HG23) (segid " " and resid 23 and name HE3) assign (segid " " and resid 23 and name HZ2) (segid " " and resid 21 and name HG2) 3.744 1.753 1.753 weight 1.000 ! spec=2doesy, no=38, id=1500, vol=5.129000e+04 assign (segid " " and resid 23 and name HE3) (segid " " and resid 21 and name HB2) 3.811 1.815 1.815 weight 1.000 ! spec=2doesy, no=44, id=1504, vol=4.616000e+04 assign (segid " " and resid 23 and name HE3) (segid " " and resid 21 and name HB1) 3.516 1.545 1.545 weight 1.000 ! spec=2doesy, no=47, id=1506, vol=7.484000e+04 assign (segid " " and resid 23 and name HZ2) (segid " " and resid 21 and name HB1) 3.511 1.541 1.541 weight 1.000 ! spec=2doesy, no=48, id=1507, vol=7.544000e+04 assign (segid " " and resid 23 and name HE3) (segid " " and resid 50 and name HG21) 3.251 1.321 1.321 weight 1.000 ! spec=2doesy, no=53, id=1509, vol=1.197000e+05 or (segid " " and resid 23 and name HE3) (segid " " and resid 50 and name HG22) or (segid " " and resid 23 and name HE3) (segid " " and resid 50 and name HG23) assign (segid " " and resid 50 and name HG21) (segid " " and resid 23 and name HZ2) 2.826 0.998 0.998 weight 1.000 ! spec=2doesy, no=54, id=1510, vol=2.777000e+05 or (segid " " and resid 50 and name HG22) (segid " " and resid 23 and name HZ2) or (segid " " and resid 50 and name HG23) (segid " " and resid 23 and name HZ2) assign (segid " " and resid 23 and name HE3) (segid " " and resid 23 and name HH2) 3.274 1.340 1.340 weight 1.000 ! spec=2doesy, no=55, id=1511, vol=1.147000e+05 assign (segid " " and resid 23 and name HZ2) (segid " " and resid 23 and name HH2) 2.156 0.581 0.581 weight 1.000 ! spec=2doesy, no=56, id=1512, vol=1.409000e+06 assign (segid " " and resid 23 and name HE3) (segid " " and resid 23 and name HZ3) 2.372 0.703 0.703 weight 1.000 ! spec=2doesy, no=59, id=1513, vol=7.943000e+05 assign (segid " " and resid 42 and name HD1) (segid " " and resid 67 and name HG22) 3.112 1.211 1.211 weight 1.000 ! spec=2doesy, no=74, id=1517, vol=1.555000e+05 or (segid " " and resid 42 and name HD1) (segid " " and resid 67 and name HG21) or (segid " " and resid 42 and name HD1) (segid " " and resid 67 and name HG23) or (segid " " and resid 42 and name HD2) (segid " " and resid 67 and name HG22) or (segid " " and resid 42 and name HD2) (segid " " and resid 67 and name HG21) or (segid " " and resid 42 and name HD2) (segid " " and resid 67 and name HG23) assign (segid " " and resid 23 and name HH2) (segid " " and resid 21 and name HB2) 3.286 1.350 1.350 weight 1.000 ! spec=2doesy, no=76, id=1518, vol=1.123000e+05 assign (segid " " and resid 23 and name HD1) (segid " " and resid 21 and name HB2) 3.427 1.468 1.468 weight 1.000 ! spec=2doesy, no=79, id=1519, vol=8.727000e+04 assign (segid " " and resid 67 and name HG12) (segid " " and resid 42 and name HE1) 2.436 0.742 0.742 weight 1.000 ! spec=2doesy, no=81, id=1521, vol=6.771000e+05 or (segid " " and resid 67 and name HG11) (segid " " and resid 42 and name HE1) or (segid " " and resid 67 and name HG13) (segid " " and resid 42 and name HE1) or (segid " " and resid 42 and name HE2) (segid " " and resid 67 and name HG12) or (segid " " and resid 42 and name HE2) (segid " " and resid 67 and name HG11) or (segid " " and resid 42 and name HE2) (segid " " and resid 67 and name HG13) assign (segid " " and resid 42 and name HD1) (segid " " and resid 67 and name HG12) 2.727 0.929 0.929 weight 1.000 ! spec=2doesy, no=82, id=1522, vol=3.439000e+05 or (segid " " and resid 42 and name HD1) (segid " " and resid 67 and name HG11) or (segid " " and resid 42 and name HD1) (segid " " and resid 67 and name HG13) or (segid " " and resid 42 and name HD2) (segid " " and resid 67 and name HG12) or (segid " " and resid 42 and name HD2) (segid " " and resid 67 and name HG11) or (segid " " and resid 42 and name HD2) (segid " " and resid 67 and name HG13) assign (segid " " and resid 23 and name HH2) (segid " " and resid 21 and name HB1) 3.945 1.946 1.946 weight 1.000 ! spec=2doesy, no=84, id=1524, vol=3.747000e+04 assign (segid " " and resid 23 and name HD1) (segid " " and resid 21 and name HB1) 3.656 1.671 1.671 weight 1.000 ! spec=2doesy, no=85, id=1525, vol=5.921000e+04 assign (segid " " and resid 23 and name HZ3) (segid " " and resid 21 and name HB1) 3.855 1.857 1.857 weight 1.000 ! spec=2doesy, no=86, id=1526, vol=4.309000e+04 assign (segid " " and resid 23 and name HH2) (segid " " and resid 21 and name HG1) 3.966 1.966 1.966 weight 1.000 ! spec=2doesy, no=87, id=1527, vol=3.635000e+04 assign (segid " " and resid 28 and name HD1) (segid " " and resid 46 and name HG12) 2.843 1.010 1.010 weight 1.000 ! spec=2doesy, no=88, id=1528, vol=2.679000e+05 or (segid " " and resid 28 and name HD1) (segid " " and resid 46 and name HG11) or (segid " " and resid 28 and name HD1) (segid " " and resid 46 and name HG13) or (segid " " and resid 28 and name HD2) (segid " " and resid 46 and name HG12) or (segid " " and resid 28 and name HD2) (segid " " and resid 46 and name HG11) or (segid " " and resid 28 and name HD2) (segid " " and resid 46 and name HG13) assign (segid " " and resid 46 and name HG12) (segid " " and resid 28 and name HE1) 2.625 0.861 0.861 weight 1.000 ! spec=2doesy, no=89, id=1529, vol=4.321000e+05 or (segid " " and resid 46 and name HG11) (segid " " and resid 28 and name HE1) or (segid " " and resid 46 and name HG13) (segid " " and resid 28 and name HE1) or (segid " " and resid 28 and name HE2) (segid " " and resid 46 and name HG12) or (segid " " and resid 28 and name HE2) (segid " " and resid 46 and name HG11) or (segid " " and resid 28 and name HE2) (segid " " and resid 46 and name HG13) assign (segid " " and resid 23 and name HZ3) (segid " " and resid 50 and name HG21) 3.159 1.247 1.247 weight 1.000 ! spec=2doesy, no=90, id=1530, vol=1.423000e+05 or (segid " " and resid 23 and name HZ3) (segid " " and resid 50 and name HG22) or (segid " " and resid 23 and name HZ3) (segid " " and resid 50 and name HG23) assign (segid " " and resid 23 and name HH2) (segid " " and resid 50 and name HG21) 2.991 1.118 1.118 weight 1.000 ! spec=2doesy, no=91, id=1531, vol=1.973000e+05 or (segid " " and resid 23 and name HH2) (segid " " and resid 50 and name HG22) or (segid " " and resid 23 and name HH2) (segid " " and resid 50 and name HG23) assign (segid " " and resid 28 and name HE1) (segid " " and resid 71 and name HG1) 3.625 1.642 1.642 weight 1.000 ! spec=2doesy, no=96, id=1532, vol=6.233000e+04 or (segid " " and resid 28 and name HE2) (segid " " and resid 71 and name HG1) assign (segid " " and resid 42 and name HE1) (segid " " and resid 33 and name HG2) 2.830 1.001 1.001 weight 1.000 ! spec=2doesy, no=123, id=1545, vol=2.750000e+05 or (segid " " and resid 42 and name HE1) (segid " " and resid 33 and name HG1) or (segid " " and resid 42 and name HE2) (segid " " and resid 33 and name HG2) or (segid " " and resid 42 and name HE2) (segid " " and resid 33 and name HG1) assign (segid " " and resid 42 and name HD1) (segid " " and resid 33 and name HG2) 2.900 1.052 1.052 weight 1.000 ! spec=2doesy, no=125, id=1546, vol=2.374000e+05 or (segid " " and resid 42 and name HD1) (segid " " and resid 33 and name HG1) or (segid " " and resid 42 and name HD2) (segid " " and resid 33 and name HG2) or (segid " " and resid 42 and name HD2) (segid " " and resid 33 and name HG1) assign (segid " " and resid 47 and name HB2) (segid " " and resid 55 and name HE3) 2.717 0.923 0.923 weight 1.000 ! spec=2doesy, no=144, id=1553, vol=3.516000e+05 or (segid " " and resid 55 and name HE3) (segid " " and resid 47 and name HB1) assign (segid " " and resid 55 and name HZ3) (segid " " and resid 47 and name HB2) 3.136 1.229 1.229 weight 1.000 ! spec=2doesy, no=145, id=1554, vol=1.487000e+05 or (segid " " and resid 55 and name HZ3) (segid " " and resid 47 and name HB1) assign (segid " " and resid 55 and name HH2) (segid " " and resid 26 and name HB2) 3.580 1.602 1.602 weight 1.000 ! spec=2doesy, no=149, id=1555, vol=6.717000e+04 assign (segid " " and resid 55 and name HZ3) (segid " " and resid 48 and name HB) 3.320 1.378 1.378 weight 1.000 ! spec=2doesy, no=165, id=1561, vol=1.056000e+05 assign (segid " " and resid 23 and name HH2) (segid " " and resid 48 and name HB) 3.699 1.710 1.710 weight 1.000 ! spec=2doesy, no=168, id=1563, vol=5.519000e+04 assign (segid " " and resid 55 and name HZ2) (segid " " and resid 47 and name HG2) 3.810 1.814 1.814 weight 1.000 ! spec=2doesy, no=169, id=1564, vol=4.624000e+04 assign (segid " " and resid 44 and name HD1) (segid " " and resid 74 and name HB2) 2.680 0.898 0.898 weight 1.000 ! spec=2doesy, no=171, id=1565, vol=3.817000e+05 or (segid " " and resid 44 and name HD1) (segid " " and resid 74 and name HB1) or (segid " " and resid 44 and name HD1) (segid " " and resid 74 and name HB3) or (segid " " and resid 44 and name HD2) (segid " " and resid 74 and name HB2) or (segid " " and resid 44 and name HD2) (segid " " and resid 74 and name HB1) or (segid " " and resid 44 and name HD2) (segid " " and resid 74 and name HB3) assign (segid " " and resid 44 and name HE1) (segid " " and resid 74 and name HB2) 2.722 0.926 0.926 weight 1.000 ! spec=2doesy, no=173, id=1567, vol=3.477000e+05 or (segid " " and resid 44 and name HE1) (segid " " and resid 74 and name HB1) or (segid " " and resid 44 and name HE1) (segid " " and resid 74 and name HB3) or (segid " " and resid 44 and name HE2) (segid " " and resid 74 and name HB2) or (segid " " and resid 44 and name HE2) (segid " " and resid 74 and name HB1) or (segid " " and resid 44 and name HE2) (segid " " and resid 74 and name HB3) assign (segid " " and resid 23 and name HH2) (segid " " and resid 82 and name HB1) 3.755 1.762 1.762 weight 1.000 ! spec=2doesy, no=176, id=1569, vol=5.044000e+04 assign (segid " " and resid 55 and name HH2) (segid " " and resid 47 and name HG1) 3.729 1.738 1.738 weight 1.000 ! spec=2doesy, no=181, id=1572, vol=5.261000e+04 assign (segid " " and resid 55 and name HE3) (segid " " and resid 47 and name HG1) 2.959 1.094 1.094 weight 1.000 ! spec=2doesy, no=182, id=1573, vol=2.107000e+05 assign (segid " " and resid 55 and name HZ3) (segid " " and resid 47 and name HG1) 2.975 1.106 1.106 weight 1.000 ! spec=2doesy, no=184, id=1574, vol=2.039000e+05 assign (segid " " and resid 42 and name HE1) (segid " " and resid 40 and name HD2) 2.874 1.033 1.033 weight 1.000 ! spec=2doesy, no=196, id=1581, vol=2.508000e+05 or (segid " " and resid 42 and name HE1) (segid " " and resid 40 and name HD1) or (segid " " and resid 42 and name HE2) (segid " " and resid 40 and name HD2) or (segid " " and resid 42 and name HE2) (segid " " and resid 40 and name HD1) assign (segid " " and resid 44 and name HE1) (segid " " and resid 71 and name HB1) 3.208 1.286 1.286 weight 1.000 ! spec=2doesy, no=209, id=1588, vol=1.297000e+05 or (segid " " and resid 44 and name HE2) (segid " " and resid 71 and name HB1) assign (segid " " and resid 28 and name HD1) (segid " " and resid 71 and name HB1) 3.512 1.542 1.542 weight 1.000 ! spec=2doesy, no=210, id=1589, vol=7.531000e+04 or (segid " " and resid 28 and name HD2) (segid " " and resid 71 and name HB1) assign (segid " " and resid 28 and name HE1) (segid " " and resid 71 and name HB1) 3.073 1.181 1.181 weight 1.000 ! spec=2doesy, no=211, id=1590, vol=1.677000e+05 or (segid " " and resid 28 and name HE2) (segid " " and resid 71 and name HB1) assign (segid " " and resid 44 and name HD1) (segid " " and resid 43 and name HG21) 4.009 2.009 2.009 weight 1.000 ! spec=2doesy, no=215, id=1592, vol=3.403000e+04 or (segid " " and resid 44 and name HD1) (segid " " and resid 43 and name HG22) or (segid " " and resid 44 and name HD1) (segid " " and resid 43 and name HG23) or (segid " " and resid 44 and name HD2) (segid " " and resid 43 and name HG21) or (segid " " and resid 44 and name HD2) (segid " " and resid 43 and name HG22) or (segid " " and resid 44 and name HD2) (segid " " and resid 43 and name HG23) assign (segid " " and resid 28 and name HD1) (segid " " and resid 78 and name HD22) 3.877 1.879 1.879 weight 1.000 ! spec=2doesy, no=219, id=1593, vol=4.164000e+04 or (segid " " and resid 28 and name HD1) (segid " " and resid 78 and name HD21) or (segid " " and resid 28 and name HD1) (segid " " and resid 78 and name HD23) or (segid " " and resid 28 and name HD2) (segid " " and resid 78 and name HD22) or (segid " " and resid 28 and name HD2) (segid " " and resid 78 and name HD21) or (segid " " and resid 28 and name HD2) (segid " " and resid 78 and name HD23) assign (segid " " and resid 23 and name HH2) (segid " " and resid 21 and name HD2) 3.582 1.604 1.604 weight 1.000 ! spec=2doesy, no=220, id=1594, vol=6.695000e+04 assign (segid " " and resid 28 and name HE1) (segid " " and resid 78 and name HD22) 3.184 1.267 1.267 weight 1.000 ! spec=2doesy, no=222, id=1596, vol=1.357000e+05 or (segid " " and resid 28 and name HE1) (segid " " and resid 78 and name HD21) or (segid " " and resid 28 and name HE1) (segid " " and resid 78 and name HD23) or (segid " " and resid 28 and name HE2) (segid " " and resid 78 and name HD22) or (segid " " and resid 28 and name HE2) (segid " " and resid 78 and name HD21) or (segid " " and resid 28 and name HE2) (segid " " and resid 78 and name HD23) assign (segid " " and resid 39 and name HB2) (segid " " and resid 38 and name HD2) 2.490 0.775 0.775 weight 1.000 ! spec=2doesy, no=224, id=1597, vol=5.924000e+05 or (segid " " and resid 39 and name HB1) (segid " " and resid 38 and name HD2) or (segid " " and resid 39 and name HB3) (segid " " and resid 38 and name HD2) assign (segid " " and resid 82 and name HD12) (segid " " and resid 23 and name HZ3) 2.468 0.762 0.762 weight 1.000 ! spec=2doesy, no=227, id=1600, vol=6.250000e+05 or (segid " " and resid 82 and name HD11) (segid " " and resid 23 and name HZ3) or (segid " " and resid 82 and name HD13) (segid " " and resid 23 and name HZ3) assign (segid " " and resid 23 and name HH2) (segid " " and resid 48 and name HG22) 3.806 1.811 1.811 weight 1.000 ! spec=2doesy, no=229, id=1601, vol=4.651000e+04 or (segid " " and resid 23 and name HH2) (segid " " and resid 48 and name HG21) or (segid " " and resid 23 and name HH2) (segid " " and resid 48 and name HG23) assign (segid " " and resid 23 and name HZ3) (segid " " and resid 48 and name HG22) 3.178 1.262 1.262 weight 1.000 ! spec=2doesy, no=231, id=1602, vol=1.372000e+05 or (segid " " and resid 23 and name HZ3) (segid " " and resid 48 and name HG21) or (segid " " and resid 23 and name HZ3) (segid " " and resid 48 and name HG23) assign (segid " " and resid 28 and name HE1) (segid " " and resid 48 and name HG22) 3.537 1.564 1.564 weight 1.000 ! spec=2doesy, no=232, id=1603, vol=7.215000e+04 or (segid " " and resid 28 and name HE1) (segid " " and resid 48 and name HG21) or (segid " " and resid 28 and name HE1) (segid " " and resid 48 and name HG23) or (segid " " and resid 28 and name HE2) (segid " " and resid 48 and name HG22) or (segid " " and resid 28 and name HE2) (segid " " and resid 48 and name HG21) or (segid " " and resid 28 and name HE2) (segid " " and resid 48 and name HG23) assign (segid " " and resid 28 and name HE1) (segid " " and resid 46 and name HG22) 2.973 1.105 1.105 weight 1.000 ! spec=2doesy, no=239, id=1606, vol=2.045000e+05 or (segid " " and resid 28 and name HE1) (segid " " and resid 46 and name HG21) or (segid " " and resid 28 and name HE1) (segid " " and resid 46 and name HG23) or (segid " " and resid 28 and name HE2) (segid " " and resid 46 and name HG22) or (segid " " and resid 28 and name HE2) (segid " " and resid 46 and name HG21) or (segid " " and resid 28 and name HE2) (segid " " and resid 46 and name HG23) assign (segid " " and resid 23 and name HH2) (segid " " and resid 48 and name HG12) 3.251 1.321 1.321 weight 1.000 ! spec=2doesy, no=244, id=1608, vol=1.197000e+05 or (segid " " and resid 23 and name HH2) (segid " " and resid 48 and name HG11) or (segid " " and resid 23 and name HH2) (segid " " and resid 48 and name HG13) assign (segid " " and resid 23 and name HD1) (segid " " and resid 48 and name HG12) 3.773 1.780 1.780 weight 1.000 ! spec=2doesy, no=246, id=1609, vol=4.897000e+04 or (segid " " and resid 23 and name HD1) (segid " " and resid 48 and name HG11) or (segid " " and resid 23 and name HD1) (segid " " and resid 48 and name HG13) assign (segid " " and resid 23 and name HZ3) (segid " " and resid 48 and name HG12) 2.759 0.951 0.951 weight 1.000 ! spec=2doesy, no=247, id=1610, vol=3.205000e+05 or (segid " " and resid 23 and name HZ3) (segid " " and resid 48 and name HG11) or (segid " " and resid 23 and name HZ3) (segid " " and resid 48 and name HG13) assign (segid " " and resid 55 and name HE3) (segid " " and resid 55 and name HB2) 3.043 1.157 1.157 weight 1.000 ! spec=2doesy, no=259, id=1618, vol=1.782000e+05 assign (segid " " and resid 23 and name HD1) (segid " " and resid 23 and name HB2) 3.047 1.160 1.160 weight 1.000 ! spec=2doesy, no=270, id=1620, vol=1.768000e+05 assign (segid " " and resid 44 and name HE1) (segid " " and resid 28 and name HB2) 2.590 0.838 0.838 weight 1.000 ! spec=2doesy, no=271, id=1621, vol=4.685000e+05 or (segid " " and resid 44 and name HE1) (segid " " and resid 28 and name HB1) or (segid " " and resid 44 and name HE2) (segid " " and resid 28 and name HB2) or (segid " " and resid 44 and name HE2) (segid " " and resid 28 and name HB1) assign (segid " " and resid 28 and name HB2) (segid " " and resid 28 and name HD1) 2.168 0.587 0.587 weight 1.000 ! spec=2doesy, no=273, id=1623, vol=1.362000e+06 or (segid " " and resid 28 and name HB1) (segid " " and resid 28 and name HD1) or (segid " " and resid 28 and name HD2) (segid " " and resid 28 and name HB2) or (segid " " and resid 28 and name HD2) (segid " " and resid 28 and name HB1) assign (segid " " and resid 28 and name HE1) (segid " " and resid 28 and name HB2) 3.177 1.262 1.262 weight 1.000 ! spec=2doesy, no=274, id=1624, vol=1.374000e+05 or (segid " " and resid 28 and name HE1) (segid " " and resid 28 and name HB1) or (segid " " and resid 28 and name HE2) (segid " " and resid 28 and name HB2) or (segid " " and resid 28 and name HE2) (segid " " and resid 28 and name HB1) assign (segid " " and resid 42 and name HD1) (segid " " and resid 42 and name HB2) 2.307 0.665 0.665 weight 1.000 ! spec=2doesy, no=282, id=1628, vol=9.382000e+05 or (segid " " and resid 42 and name HD2) (segid " " and resid 42 and name HB2) assign (segid " " and resid 38 and name HD2) (segid " " and resid 38 and name HB1) 3.105 1.205 1.205 weight 1.000 ! spec=2doesy, no=292, id=1632, vol=1.576000e+05 assign (segid " " and resid 23 and name HD1) (segid " " and resid 23 and name HB1) 3.231 1.305 1.305 weight 1.000 ! spec=2doesy, no=294, id=1633, vol=1.242000e+05 assign (segid " " and resid 55 and name HE3) (segid " " and resid 55 and name HB1) 3.173 1.259 1.259 weight 1.000 ! spec=2doesy, no=297, id=1635, vol=1.384000e+05 assign (segid " " and resid 28 and name HE1) (segid " " and resid 15 and name HB2) 3.621 1.639 1.639 weight 1.000 ! spec=2doesy, no=305, id=1637, vol=6.272000e+04 or (segid " " and resid 28 and name HE1) (segid " " and resid 15 and name HB1) or (segid " " and resid 28 and name HE2) (segid " " and resid 15 and name HB2) or (segid " " and resid 28 and name HE2) (segid " " and resid 15 and name HB1) assign (segid " " and resid 23 and name HD1) (segid " " and resid 22 and name HB1) 3.921 1.922 1.922 weight 1.000 ! spec=2doesy, no=311, id=1640, vol=3.889000e+04 assign (segid " " and resid 55 and name HE3) (segid " " and resid 47 and name HD2) 2.948 1.087 1.087 weight 1.000 ! spec=2doesy, no=320, id=1644, vol=2.152000e+05 or (segid " " and resid 55 and name HE3) (segid " " and resid 47 and name HD1) assign (segid " " and resid 42 and name HE1) (segid " " and resid 40 and name HE1) 3.255 1.325 1.325 weight 1.000 ! spec=2doesy, no=325, id=1646, vol=1.188000e+05 or (segid " " and resid 42 and name HE2) (segid " " and resid 40 and name HE1) assign (segid " " and resid 23 and name HH2) (segid " " and resid 21 and name HE2) 3.614 1.633 1.633 weight 1.000 ! spec=2doesy, no=331, id=1648, vol=6.344000e+04 assign (segid " " and resid 28 and name HE1) (segid " " and resid 28 and name HA) 3.604 1.623 1.623 weight 1.000 ! spec=2doesy, no=334, id=1651, vol=6.455000e+04 or (segid " " and resid 28 and name HE2) (segid " " and resid 28 and name HA) assign (segid " " and resid 44 and name HD1) (segid " " and resid 44 and name HA) 2.929 1.072 1.072 weight 1.000 ! spec=2doesy, no=341, id=1652, vol=2.239000e+05 or (segid " " and resid 44 and name HD2) (segid " " and resid 44 and name HA) assign (segid " " and resid 28 and name HE1) (segid " " and resid 46 and name HA) 3.573 1.596 1.596 weight 1.000 ! spec=2doesy, no=344, id=1653, vol=6.788000e+04 or (segid " " and resid 28 and name HE2) (segid " " and resid 46 and name HA) assign (segid " " and resid 42 and name HE1) (segid " " and resid 42 and name HA) 3.301 1.362 1.362 weight 1.000 ! spec=2doesy, no=351, id=1655, vol=1.092000e+05 or (segid " " and resid 42 and name HE2) (segid " " and resid 42 and name HA) assign (segid " " and resid 42 and name HA) (segid " " and resid 42 and name HD1) 2.760 0.952 0.952 weight 1.000 ! spec=2doesy, no=352, id=1656, vol=3.199000e+05 or (segid " " and resid 42 and name HD2) (segid " " and resid 42 and name HA) assign (segid " " and resid 55 and name HD1) (segid " " and resid 55 and name HA) 3.453 1.490 1.490 weight 1.000 ! spec=2doesy, no=355, id=1658, vol=8.343000e+04 assign (segid " " and resid 55 and name HE3) (segid " " and resid 55 and name HA) 2.731 0.932 0.932 weight 1.000 ! spec=2doesy, no=356, id=1659, vol=3.406000e+05 assign (segid " " and resid 55 and name HZ3) (segid " " and resid 55 and name HA) 3.752 1.760 1.760 weight 1.000 ! spec=2doesy, no=357, id=1660, vol=5.068000e+04 assign (segid " " and resid 42 and name HE1) (segid " " and resid 66 and name HA) 2.318 0.671 0.671 weight 1.000 ! spec=2doesy, no=361, id=1661, vol=9.123000e+05 or (segid " " and resid 42 and name HE2) (segid " " and resid 66 and name HA) assign (segid " " and resid 42 and name HD1) (segid " " and resid 66 and name HA) 2.839 1.008 1.008 weight 1.000 ! spec=2doesy, no=364, id=1664, vol=2.699000e+05 or (segid " " and resid 42 and name HD2) (segid " " and resid 66 and name HA) assign (segid " " and resid 44 and name HE1) (segid " " and resid 60 and name HA) 3.905 1.906 1.906 weight 1.000 ! spec=2doesy, no=370, id=1667, vol=3.989000e+04 or (segid " " and resid 44 and name HE2) (segid " " and resid 60 and name HA) assign (segid " " and resid 42 and name HD1) (segid " " and resid 41 and name HA) 3.469 1.504 1.504 weight 1.000 ! spec=2doesy, no=373, id=1668, vol=8.115000e+04 or (segid " " and resid 42 and name HD2) (segid " " and resid 41 and name HA) assign (segid " " and resid 42 and name HE1) (segid " " and resid 41 and name HA) 3.892 1.894 1.894 weight 1.000 ! spec=2doesy, no=375, id=1670, vol=4.065000e+04 or (segid " " and resid 42 and name HE2) (segid " " and resid 41 and name HA) assign (segid " " and resid 38 and name HD2) (segid " " and resid 38 and name HA) 3.553 1.578 1.578 weight 1.000 ! spec=2doesy, no=376, id=1671, vol=7.022000e+04 assign (segid " " and resid 44 and name HE1) (segid " " and resid 29 and name HA) 3.949 1.949 1.949 weight 1.000 ! spec=2doesy, no=380, id=1672, vol=3.728000e+04 or (segid " " and resid 44 and name HE2) (segid " " and resid 29 and name HA) assign (segid " " and resid 44 and name HD1) (segid " " and resid 29 and name HA) 3.576 1.598 1.598 weight 1.000 ! spec=2doesy, no=381, id=1673, vol=6.765000e+04 or (segid " " and resid 44 and name HD2) (segid " " and resid 29 and name HA) assign (segid " " and resid 38 and name HD2) (segid " " and resid 39 and name HA) 3.651 1.666 1.666 weight 1.000 ! spec=2doesy, no=382, id=1674, vol=5.969000e+04 assign (segid " " and resid 23 and name HD1) (segid " " and resid 22 and name HA) 3.893 1.895 1.895 weight 1.000 ! spec=2doesy, no=387, id=1677, vol=4.060000e+04 assign (segid " " and resid 28 and name HE1) (segid " " and resid 15 and name HA) 3.882 1.884 1.884 weight 1.000 ! spec=2doesy, no=390, id=1679, vol=4.129000e+04 or (segid " " and resid 28 and name HE2) (segid " " and resid 15 and name HA) assign (segid " " and resid 23 and name HZ3) (segid " " and resid 82 and name HA) 4.005 2.005 2.005 weight 1.000 ! spec=2doesy, no=395, id=1680, vol=3.423000e+04 assign (segid " " and resid 42 and name HE1) (segid " " and resid 40 and name HA) 3.452 1.489 1.489 weight 1.000 ! spec=2doesy, no=398, id=1681, vol=8.359000e+04 or (segid " " and resid 42 and name HE2) (segid " " and resid 40 and name HA) assign (segid " " and resid 23 and name HD1) (segid " " and resid 51 and name HA) 3.246 1.317 1.317 weight 1.000 ! spec=2doesy, no=401, id=1683, vol=1.208000e+05 assign (segid " " and resid 51 and name HB2) (segid " " and resid 23 and name HD1) 2.654 0.880 0.880 weight 1.000 ! spec=2doesy, no=404, id=1684, vol=4.048000e+05 or (segid " " and resid 51 and name HB1) (segid " " and resid 23 and name HD1) assign (segid " " and resid 44 and name HE1) (segid " " and resid 27 and name HB2) 3.589 1.611 1.611 weight 1.000 ! spec=2doesy, no=413, id=1690, vol=6.609000e+04 or (segid " " and resid 44 and name HE2) (segid " " and resid 27 and name HB2) assign (segid " " and resid 55 and name HH2) (segid " " and resid 27 and name HB2) 3.421 1.463 1.463 weight 1.000 ! spec=2doesy, no=414, id=1691, vol=8.824000e+04 assign (segid " " and resid 28 and name HD1) (segid " " and resid 27 and name HB1) 3.855 1.858 1.858 weight 1.000 ! spec=2doesy, no=418, id=1694, vol=4.305000e+04 or (segid " " and resid 28 and name HD2) (segid " " and resid 27 and name HB1) assign (segid " " and resid 55 and name HH2) (segid " " and resid 27 and name HB1) 3.138 1.231 1.231 weight 1.000 ! spec=2doesy, no=420, id=1696, vol=1.481000e+05 assign (segid " " and resid 23 and name HD1) (segid " " and resid 24 and name HD2) 3.017 1.138 1.138 weight 1.000 ! spec=2doesy, no=426, id=1700, vol=1.873000e+05 assign (segid " " and resid 28 and name HE1) (segid " " and resid 26 and name HD2) 3.500 1.531 1.531 weight 1.000 ! spec=2doesy, no=427, id=1701, vol=7.686000e+04 or (segid " " and resid 28 and name HE1) (segid " " and resid 26 and name HD1) or (segid " " and resid 28 and name HE2) (segid " " and resid 26 and name HD2) or (segid " " and resid 28 and name HE2) (segid " " and resid 26 and name HD1) assign (segid " " and resid 71 and name HA) (segid " " and resid 28 and name HD1) 2.965 1.099 1.099 weight 1.000 ! spec=2doesy, no=428, id=1702, vol=2.082000e+05 or (segid " " and resid 28 and name HD2) (segid " " and resid 71 and name HA) assign (segid " " and resid 23 and name HD1) (segid " " and resid 24 and name HD1) 3.137 1.230 1.230 weight 1.000 ! spec=2doesy, no=430, id=1704, vol=1.482000e+05 assign (segid " " and resid 55 and name HZ3) (segid " " and resid 49 and name HA) 3.950 1.950 1.950 weight 1.000 ! spec=2doesy, no=433, id=1706, vol=3.723000e+04 assign (segid " " and resid 23 and name HH2) (segid " " and resid 50 and name HB) 3.901 1.902 1.902 weight 1.000 ! spec=2doesy, no=435, id=1707, vol=4.012000e+04 assign (segid " " and resid 38 and name HB2) (segid " " and resid 38 and name HD2) 2.845 1.012 1.012 weight 1.000 ! spec=2doesy, no=439, id=1708, vol=2.665000e+05 assign (segid " " and resid 55 and name HZ2) (segid " " and resid 55 and name HZ3) 3.146 1.237 1.237 weight 1.000 ! spec=2doesy, no=440, id=1709, vol=1.457000e+05 assign (segid " " and resid 55 and name HH2) (segid " " and resid 55 and name HZ3) 2.426 0.736 0.736 weight 1.000 ! spec=2doesy, no=441, id=1710, vol=6.937000e+05 assign (segid " " and resid 55 and name HE3) (segid " " and resid 55 and name HZ3) 2.456 0.754 0.754 weight 1.000 ! spec=2doesy, no=442, id=1711, vol=6.442000e+05 assign (segid " " and resid 28 and name HD1) (segid " " and resid 28 and name HE1) 2.097 0.550 0.550 weight 1.000 ! spec=2doesy, no=444, id=1713, vol=1.660000e+06 or (segid " " and resid 28 and name HD1) (segid " " and resid 28 and name HE2) or (segid " " and resid 28 and name HD2) (segid " " and resid 28 and name HE1) or (segid " " and resid 28 and name HD2) (segid " " and resid 28 and name HE2) assign (segid " " and resid 55 and name HZ2) (segid " " and resid 55 and name HH2) 2.232 0.623 0.623 weight 1.000 ! spec=2doesy, no=448, id=1716, vol=1.144000e+06 assign (segid " " and resid 23 and name HH2) (segid " " and resid 23 and name HZ3) 2.351 0.691 0.691 weight 1.000 ! spec=2doesy, no=464, id=1726, vol=8.366000e+05 assign (segid " " and resid 42 and name HD1) (segid " " and resid 70 and name HA) 3.747 1.755 1.755 weight 1.000 ! spec=2doesy, no=477, id=1728, vol=5.106000e+04 or (segid " " and resid 42 and name HD2) (segid " " and resid 70 and name HA) assign (segid " " and resid 55 and name HE3) (segid " " and resid 47 and name HA) 3.806 1.811 1.811 weight 1.000 ! spec=2doesy, no=485, id=1731, vol=4.651000e+04 assign (segid " " and resid 28 and name HD1) (segid " " and resid 46 and name HA) 3.137 1.230 1.230 weight 1.000 ! spec=2doesy, no=487, id=1733, vol=1.483000e+05 or (segid " " and resid 28 and name HD2) (segid " " and resid 46 and name HA) assign (segid " " and resid 55 and name HZ3) (segid " " and resid 55 and name HB2) 4.049 2.049 2.049 weight 1.000 ! spec=2doesy, no=493, id=1734, vol=3.208000e+04 assign (segid " " and resid 28 and name HD1) (segid " " and resid 46 and name HG22) 3.212 1.289 1.289 weight 1.000 ! spec=2doesy, no=522, id=1740, vol=1.288000e+05 or (segid " " and resid 28 and name HD1) (segid " " and resid 46 and name HG21) or (segid " " and resid 28 and name HD1) (segid " " and resid 46 and name HG23) or (segid " " and resid 28 and name HD2) (segid " " and resid 46 and name HG22) or (segid " " and resid 28 and name HD2) (segid " " and resid 46 and name HG21) or (segid " " and resid 28 and name HD2) (segid " " and resid 46 and name HG23) assign (segid " " and resid 23 and name HH2) (segid " " and resid 82 and name HG) 3.994 1.994 1.994 weight 1.000 ! spec=2doesy, no=524, id=1742, vol=3.481000e+04 assign (segid " " and resid 55 and name HZ2) (segid " " and resid 47 and name HB2) 3.825 1.829 1.829 weight 1.000 ! spec=2doesy, no=527, id=1744, vol=4.512000e+04 or (segid " " and resid 55 and name HZ2) (segid " " and resid 47 and name HB1) assign (segid " " and resid 38 and name HE1) (segid " " and resid 38 and name HD2) 3.513 1.543 1.543 weight 1.000 ! spec=2doesy, no=539, id=1747, vol=7.521000e+04 assign (segid " " and resid 56 and name HB) (segid " " and resid 56 and name HA) 1.973 0.487 0.487 weight 1.000 ! spec=cnoesy, no=2, id=659, vol=6.699439e+06 assign (segid " " and resid 85 and name HB) (segid " " and resid 85 and name HN) 2.851 1.016 1.016 weight 1.000 ! spec=cnoesy, no=4, id=661, vol=7.356216e+05 assign (segid " " and resid 43 and name HB) (segid " " and resid 43 and name HA) 2.953 1.090 1.090 weight 1.000 ! spec=cnoesy, no=5, id=662, vol=5.959095e+05 assign (segid " " and resid 43 and name HN) (segid " " and resid 43 and name HB) 2.725 0.928 0.928 weight 1.000 ! spec=cnoesy, no=6, id=663, vol=9.660424e+05 assign (segid " " and resid 43 and name HB) (segid " " and resid 32 and name HB1) 2.217 0.614 0.614 weight 1.000 ! spec=cnoesy, no=8, id=665, vol=3.333835e+06 assign (segid " " and resid 50 and name HB) (segid " " and resid 23 and name HZ2) 2.567 0.824 0.824 weight 1.000 ! spec=cnoesy, no=10, id=667, vol=1.380324e+06 assign (segid " " and resid 50 and name HB) (segid " " and resid 50 and name HG21) 2.049 0.525 0.525 weight 1.000 ! spec=cnoesy, no=13, id=670, vol=5.339572e+06 or (segid " " and resid 50 and name HB) (segid " " and resid 50 and name HG22) or (segid " " and resid 50 and name HB) (segid " " and resid 50 and name HG23) assign (segid " " and resid 66 and name HB2) (segid " " and resid 66 and name HA) 2.410 0.726 0.726 weight 1.000 ! spec=cnoesy, no=14, id=671, vol=2.015810e+06 assign (segid " " and resid 66 and name HB1) (segid " " and resid 66 and name HA) 2.535 0.803 0.803 weight 1.000 ! spec=cnoesy, no=16, id=673, vol=1.490297e+06 assign (segid " " and resid 66 and name HB2) (segid " " and resid 66 and name HB1) 1.959 0.480 0.480 weight 1.000 ! spec=cnoesy, no=17, id=674, vol=6.993601e+06 assign (segid " " and resid 79 and name HN) (segid " " and resid 76 and name HA) 2.794 0.976 0.976 weight 1.000 ! spec=cnoesy, no=18, id=675, vol=8.314821e+05 assign (segid " " and resid 76 and name HN) (segid " " and resid 76 and name HA) 2.407 0.724 0.724 weight 1.000 ! spec=cnoesy, no=19, id=676, vol=2.031792e+06 assign (segid " " and resid 76 and name HA) (segid " " and resid 76 and name HB) 2.417 0.730 0.730 weight 1.000 ! spec=cnoesy, no=21, id=678, vol=1.981130e+06 assign (segid " " and resid 76 and name HA) (segid " " and resid 79 and name HB2) 2.445 0.747 0.747 weight 1.000 ! spec=cnoesy, no=24, id=681, vol=1.849804e+06 assign (segid " " and resid 67 and name HA) (segid " " and resid 67 and name HB) 2.533 0.802 0.802 weight 1.000 ! spec=cnoesy, no=26, id=683, vol=1.497719e+06 assign (segid " " and resid 67 and name HA) (segid " " and resid 67 and name HG12) 1.992 0.496 0.496 weight 1.000 ! spec=cnoesy, no=27, id=684, vol=6.325617e+06 or (segid " " and resid 67 and name HA) (segid " " and resid 67 and name HG11) or (segid " " and resid 67 and name HA) (segid " " and resid 67 and name HG13) assign (segid " " and resid 17 and name HN) (segid " " and resid 17 and name HA) 2.326 0.676 0.676 weight 1.000 ! spec=cnoesy, no=28, id=685, vol=2.497842e+06 assign (segid " " and resid 17 and name HA) (segid " " and resid 17 and name HG12) 2.339 0.684 0.684 weight 1.000 ! spec=cnoesy, no=29, id=686, vol=2.414763e+06 assign (segid " " and resid 17 and name HA) (segid " " and resid 17 and name HB) 2.504 0.784 0.784 weight 1.000 ! spec=cnoesy, no=30, id=687, vol=1.604562e+06 assign (segid " " and resid 17 and name HA) (segid " " and resid 17 and name HD12) 2.172 0.590 0.590 weight 1.000 ! spec=cnoesy, no=33, id=690, vol=3.762105e+06 or (segid " " and resid 17 and name HA) (segid " " and resid 17 and name HD11) or (segid " " and resid 17 and name HA) (segid " " and resid 17 and name HD13) assign (segid " " and resid 47 and name HN) (segid " " and resid 27 and name HB2) 2.965 1.099 1.099 weight 1.000 ! spec=cnoesy, no=34, id=691, vol=5.816087e+05 assign (segid " " and resid 28 and name HN) (segid " " and resid 27 and name HB2) 2.859 1.022 1.022 weight 1.000 ! spec=cnoesy, no=35, id=692, vol=7.232946e+05 assign (segid " " and resid 27 and name HB2) (segid " " and resid 27 and name HN) 2.414 0.728 0.728 weight 1.000 ! spec=cnoesy, no=36, id=693, vol=1.997500e+06 assign (segid " " and resid 27 and name HB2) (segid " " and resid 55 and name HZ3) 2.665 0.888 0.888 weight 1.000 ! spec=cnoesy, no=37, id=694, vol=1.102817e+06 assign (segid " " and resid 27 and name HB2) (segid " " and resid 27 and name HA) 2.391 0.715 0.715 weight 1.000 ! spec=cnoesy, no=38, id=695, vol=2.114614e+06 assign (segid " " and resid 27 and name HB1) (segid " " and resid 55 and name HZ3) 2.604 0.848 0.848 weight 1.000 ! spec=cnoesy, no=40, id=696, vol=1.266907e+06 assign (segid " " and resid 27 and name HB1) (segid " " and resid 28 and name HN) 3.006 1.129 1.129 weight 1.000 ! spec=cnoesy, no=41, id=697, vol=5.362478e+05 assign (segid " " and resid 27 and name HB1) (segid " " and resid 27 and name HN) 2.400 0.720 0.720 weight 1.000 ! spec=cnoesy, no=42, id=698, vol=2.070998e+06 assign (segid " " and resid 27 and name HB1) (segid " " and resid 27 and name HA) 2.367 0.700 0.700 weight 1.000 ! spec=cnoesy, no=43, id=699, vol=2.248226e+06 assign (segid " " and resid 31 and name HN) (segid " " and resid 31 and name HA) 2.636 0.869 0.869 weight 1.000 ! spec=cnoesy, no=44, id=700, vol=1.177753e+06 assign (segid " " and resid 31 and name HA) (segid " " and resid 31 and name HB) 2.415 0.729 0.729 weight 1.000 ! spec=cnoesy, no=45, id=701, vol=1.993254e+06 assign (segid " " and resid 31 and name HA) (segid " " and resid 31 and name HG12) 2.029 0.514 0.514 weight 1.000 ! spec=cnoesy, no=46, id=702, vol=5.671912e+06 or (segid " " and resid 31 and name HA) (segid " " and resid 31 and name HG11) or (segid " " and resid 31 and name HA) (segid " " and resid 31 and name HG13) assign (segid " " and resid 65 and name HA) (segid " " and resid 42 and name HD1) 5.124 3.282 3.282 weight 1.000 ! spec=cnoesy, no=47, id=703, vol=2.184000e+04 assign (segid " " and resid 65 and name HA) (segid " " and resid 65 and name HB2) 2.096 0.549 0.549 weight 1.000 ! spec=cnoesy, no=48, id=704, vol=4.668211e+06 assign (segid " " and resid 65 and name HA) (segid " " and resid 41 and name HA) 2.595 0.841 0.841 weight 1.000 ! spec=cnoesy, no=50, id=706, vol=1.295928e+06 assign (segid " " and resid 27 and name HN) (segid " " and resid 26 and name HA) 2.004 0.502 0.502 weight 1.000 ! spec=cnoesy, no=51, id=707, vol=6.106724e+06 assign (segid " " and resid 26 and name HA) (segid " " and resid 48 and name HA) 2.467 0.761 0.761 weight 1.000 ! spec=cnoesy, no=52, id=708, vol=1.754389e+06 assign (segid " " and resid 26 and name HA) (segid " " and resid 26 and name HB1) 2.615 0.855 0.855 weight 1.000 ! spec=cnoesy, no=54, id=709, vol=1.236823e+06 assign (segid " " and resid 73 and name HN) (segid " " and resid 73 and name HA) 2.528 0.799 0.799 weight 1.000 ! spec=cnoesy, no=57, id=712, vol=1.513604e+06 assign (segid " " and resid 73 and name HA) (segid " " and resid 74 and name HN) 2.878 1.036 1.036 weight 1.000 ! spec=cnoesy, no=58, id=713, vol=6.950669e+05 assign (segid " " and resid 85 and name HA) (segid " " and resid 85 and name HG21) 2.380 0.708 0.708 weight 1.000 ! spec=cnoesy, no=62, id=717, vol=2.176191e+06 or (segid " " and resid 85 and name HA) (segid " " and resid 85 and name HG22) or (segid " " and resid 85 and name HA) (segid " " and resid 85 and name HG23) assign (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HA) 2.928 1.072 1.072 weight 1.000 ! spec=cnoesy, no=63, id=718, vol=6.275553e+05 assign (segid " " and resid 64 and name HN) (segid " " and resid 63 and name HA) 2.243 0.629 0.629 weight 1.000 ! spec=cnoesy, no=67, id=722, vol=3.106089e+06 assign (segid " " and resid 37 and name HN) (segid " " and resid 36 and name HA) 2.893 1.046 1.046 weight 1.000 ! spec=cnoesy, no=70, id=724, vol=6.749243e+05 assign (segid " " and resid 36 and name HA) (segid " " and resid 36 and name HB2) 2.052 0.526 0.526 weight 1.000 ! spec=cnoesy, no=71, id=725, vol=5.291125e+06 assign (segid " " and resid 24 and name HA) (segid " " and resid 24 and name HB1) 2.100 0.551 0.551 weight 1.000 ! spec=cnoesy, no=74, id=728, vol=4.604748e+06 assign (segid " " and resid 43 and name HA) (segid " " and resid 43 and name HG21) 2.378 0.707 0.707 weight 1.000 ! spec=cnoesy, no=77, id=730, vol=2.188511e+06 or (segid " " and resid 43 and name HA) (segid " " and resid 43 and name HG22) or (segid " " and resid 43 and name HA) (segid " " and resid 43 and name HG23) assign (segid " " and resid 24 and name HA) (segid " " and resid 24 and name HB2) 2.110 0.556 0.556 weight 1.000 ! spec=cnoesy, no=78, id=731, vol=4.481335e+06 assign (segid " " and resid 56 and name HN) (segid " " and resid 56 and name HA) 2.641 0.872 0.872 weight 1.000 ! spec=cnoesy, no=79, id=732, vol=1.164849e+06 assign (segid " " and resid 57 and name HN) (segid " " and resid 56 and name HA) 1.987 0.494 0.494 weight 1.000 ! spec=cnoesy, no=80, id=733, vol=6.417480e+06 assign (segid " " and resid 56 and name HA) (segid " " and resid 56 and name HG21) 2.074 0.538 0.538 weight 1.000 ! spec=cnoesy, no=83, id=735, vol=4.960717e+06 or (segid " " and resid 56 and name HA) (segid " " and resid 56 and name HG22) or (segid " " and resid 56 and name HA) (segid " " and resid 56 and name HG23) assign (segid " " and resid 74 and name HN) (segid " " and resid 71 and name HA) 3.022 1.141 1.141 weight 1.000 ! spec=cnoesy, no=86, id=738, vol=5.194402e+05 assign (segid " " and resid 71 and name HA) (segid " " and resid 74 and name HB2) 2.604 0.848 0.848 weight 1.000 ! spec=cnoesy, no=88, id=740, vol=1.267339e+06 or (segid " " and resid 71 and name HA) (segid " " and resid 74 and name HB1) or (segid " " and resid 71 and name HA) (segid " " and resid 74 and name HB3) assign (segid " " and resid 71 and name HA) (segid " " and resid 71 and name HB2) 2.764 0.955 0.955 weight 1.000 ! spec=cnoesy, no=89, id=741, vol=8.857276e+05 assign (segid " " and resid 71 and name HA) (segid " " and resid 71 and name HG1) 2.501 0.782 0.782 weight 1.000 ! spec=cnoesy, no=91, id=743, vol=1.616440e+06 assign (segid " " and resid 71 and name HN) (segid " " and resid 71 and name HA) 2.577 0.830 0.830 weight 1.000 ! spec=cnoesy, no=92, id=744, vol=1.348671e+06 assign (segid " " and resid 71 and name HA) (segid " " and resid 28 and name HD1) 2.700 0.911 0.911 weight 1.000 ! spec=cnoesy, no=93, id=745, vol=1.020213e+06 assign (segid " " and resid 71 and name HA) (segid " " and resid 71 and name HB1) 2.511 0.788 0.788 weight 1.000 ! spec=cnoesy, no=95, id=747, vol=1.577498e+06 assign (segid " " and resid 23 and name HE1) (segid " " and resid 50 and name HA) 2.842 1.010 1.010 weight 1.000 ! spec=cnoesy, no=96, id=748, vol=7.502613e+05 assign (segid " " and resid 51 and name HN) (segid " " and resid 50 and name HA) 2.038 0.519 0.519 weight 1.000 ! spec=cnoesy, no=97, id=749, vol=5.513610e+06 assign (segid " " and resid 50 and name HB) (segid " " and resid 50 and name HA) 2.106 0.555 0.555 weight 1.000 ! spec=cnoesy, no=99, id=751, vol=4.526293e+06 assign (segid " " and resid 50 and name HA) (segid " " and resid 50 and name HG21) 2.198 0.604 0.604 weight 1.000 ! spec=cnoesy, no=100, id=752, vol=3.510245e+06 or (segid " " and resid 50 and name HA) (segid " " and resid 50 and name HG22) or (segid " " and resid 50 and name HA) (segid " " and resid 50 and name HG23) assign (segid " " and resid 60 and name HA) (segid " " and resid 60 and name HG22) 2.306 0.665 0.665 weight 1.000 ! spec=cnoesy, no=101, id=753, vol=2.631456e+06 or (segid " " and resid 60 and name HA) (segid " " and resid 60 and name HG21) or (segid " " and resid 60 and name HA) (segid " " and resid 60 and name HG23) assign (segid " " and resid 68 and name HN) (segid " " and resid 68 and name HA) 2.553 0.815 0.815 weight 1.000 ! spec=cnoesy, no=102, id=754, vol=1.427169e+06 assign (segid " " and resid 68 and name HA) (segid " " and resid 68 and name HB1) 2.117 0.560 0.560 weight 1.000 ! spec=cnoesy, no=103, id=755, vol=4.389447e+06 assign (segid " " and resid 68 and name HA) (segid " " and resid 68 and name HG1) 2.707 0.916 0.916 weight 1.000 ! spec=cnoesy, no=104, id=756, vol=1.005137e+06 assign (segid " " and resid 51 and name HA) (segid " " and resid 51 and name HN) 2.438 0.743 0.743 weight 1.000 ! spec=cnoesy, no=105, id=757, vol=1.880863e+06 assign (segid " " and resid 80 and name HA) (segid " " and resid 83 and name HN) 2.771 0.960 0.960 weight 1.000 ! spec=cnoesy, no=107, id=759, vol=8.732652e+05 assign (segid " " and resid 80 and name HA) (segid " " and resid 80 and name HB1) 2.018 0.509 0.509 weight 1.000 ! spec=cnoesy, no=109, id=761, vol=5.846969e+06 assign (segid " " and resid 47 and name HN) (segid " " and resid 46 and name HA) 1.984 0.492 0.492 weight 1.000 ! spec=cnoesy, no=110, id=762, vol=6.473862e+06 assign (segid " " and resid 46 and name HA) (segid " " and resid 46 and name HG22) 2.917 1.063 1.063 weight 1.000 ! spec=cnoesy, no=113, id=765, vol=6.423631e+05 or (segid " " and resid 46 and name HA) (segid " " and resid 46 and name HG21) or (segid " " and resid 46 and name HA) (segid " " and resid 46 and name HG23) assign (segid " " and resid 46 and name HA) (segid " " and resid 46 and name HG12) 2.127 0.565 0.565 weight 1.000 ! spec=cnoesy, no=114, id=766, vol=4.275173e+06 or (segid " " and resid 46 and name HA) (segid " " and resid 46 and name HG11) or (segid " " and resid 46 and name HA) (segid " " and resid 46 and name HG13) assign (segid " " and resid 69 and name HN) (segid " " and resid 69 and name HA) 2.456 0.754 0.754 weight 1.000 ! spec=cnoesy, no=116, id=768, vol=1.799920e+06 assign (segid " " and resid 20 and name HN) (segid " " and resid 20 and name HA) 2.220 0.616 0.616 weight 1.000 ! spec=cnoesy, no=118, id=770, vol=3.299241e+06 assign (segid " " and resid 21 and name HN) (segid " " and resid 20 and name HA) 2.670 0.891 0.891 weight 1.000 ! spec=cnoesy, no=119, id=771, vol=1.091997e+06 assign (segid " " and resid 79 and name HN) (segid " " and resid 79 and name HA) 2.415 0.729 0.729 weight 1.000 ! spec=cnoesy, no=122, id=774, vol=1.992646e+06 assign (segid " " and resid 30 and name HA) (segid " " and resid 44 and name HA) 2.419 0.732 0.732 weight 1.000 ! spec=cnoesy, no=127, id=779, vol=1.970998e+06 assign (segid " " and resid 31 and name HN) (segid " " and resid 30 and name HA) 2.219 0.616 0.616 weight 1.000 ! spec=cnoesy, no=128, id=780, vol=3.308516e+06 assign (segid " " and resid 30 and name HA) (segid " " and resid 30 and name HB2) 2.560 0.819 0.819 weight 1.000 ! spec=cnoesy, no=129, id=781, vol=1.405511e+06 assign (segid " " and resid 17 and name HN) (segid " " and resid 16 and name HA) 2.704 0.914 0.914 weight 1.000 ! spec=cnoesy, no=133, id=784, vol=1.011843e+06 assign (segid " " and resid 19 and name HN) (segid " " and resid 19 and name HA) 2.276 0.647 0.647 weight 1.000 ! spec=cnoesy, no=136, id=787, vol=2.844614e+06 assign (segid " " and resid 19 and name HA) (segid " " and resid 19 and name HB1) 1.946 0.473 0.473 weight 1.000 ! spec=cnoesy, no=138, id=789, vol=7.275063e+06 assign (segid " " and resid 80 and name HN) (segid " " and resid 79 and name HA) 2.787 0.971 0.971 weight 1.000 ! spec=cnoesy, no=140, id=791, vol=8.434523e+05 assign (segid " " and resid 29 and name HN) (segid " " and resid 28 and name HA) 2.074 0.538 0.538 weight 1.000 ! spec=cnoesy, no=142, id=793, vol=4.961944e+06 assign (segid " " and resid 28 and name HN) (segid " " and resid 28 and name HA) 2.783 0.968 0.968 weight 1.000 ! spec=cnoesy, no=143, id=794, vol=8.514107e+05 assign (segid " " and resid 28 and name HA) (segid " " and resid 28 and name HD1) 2.527 0.799 0.799 weight 1.000 ! spec=cnoesy, no=144, id=795, vol=1.516536e+06 assign (segid " " and resid 28 and name HA) (segid " " and resid 46 and name HG12) 2.610 0.852 0.852 weight 1.000 ! spec=cnoesy, no=147, id=798, vol=1.249773e+06 or (segid " " and resid 28 and name HA) (segid " " and resid 46 and name HG11) or (segid " " and resid 28 and name HA) (segid " " and resid 46 and name HG13) assign (segid " " and resid 78 and name HN) (segid " " and resid 78 and name HA) 2.307 0.665 0.665 weight 1.000 ! spec=cnoesy, no=148, id=799, vol=2.622574e+06 assign (segid " " and resid 78 and name HA) (segid " " and resid 78 and name HB2) 2.273 0.646 0.646 weight 1.000 ! spec=cnoesy, no=149, id=800, vol=2.866715e+06 assign (segid " " and resid 78 and name HA) (segid " " and resid 78 and name HB1) 2.473 0.765 0.765 weight 1.000 ! spec=cnoesy, no=150, id=801, vol=1.728081e+06 assign (segid " " and resid 16 and name HA) (segid " " and resid 16 and name HB2) 2.215 0.613 0.613 weight 1.000 ! spec=cnoesy, no=154, id=805, vol=3.349647e+06 assign (segid " " and resid 82 and name HA) (segid " " and resid 82 and name HD12) 1.658 0.343 0.343 weight 1.000 ! spec=cnoesy, no=157, id=807, vol=1.906178e+07 or (segid " " and resid 82 and name HA) (segid " " and resid 82 and name HD11) or (segid " " and resid 82 and name HA) (segid " " and resid 82 and name HD13) assign (segid " " and resid 43 and name HN) (segid " " and resid 42 and name HA) 2.134 0.569 0.569 weight 1.000 ! spec=cnoesy, no=158, id=808, vol=4.181968e+06 assign (segid " " and resid 42 and name HA) (segid " " and resid 42 and name HB2) 2.353 0.692 0.692 weight 1.000 ! spec=cnoesy, no=159, id=809, vol=2.329927e+06 assign (segid " " and resid 42 and name HA) (segid " " and resid 42 and name HB1) 2.512 0.789 0.789 weight 1.000 ! spec=cnoesy, no=160, id=810, vol=1.571956e+06 assign (segid " " and resid 42 and name HA) (segid " " and resid 42 and name HD1) 2.807 0.985 0.985 weight 1.000 ! spec=cnoesy, no=161, id=811, vol=8.090078e+05 assign (segid " " and resid 85 and name HN) (segid " " and resid 84 and name HA) 2.094 0.548 0.548 weight 1.000 ! spec=cnoesy, no=162, id=812, vol=4.686707e+06 assign (segid " " and resid 84 and name HA) (segid " " and resid 84 and name HG1) 2.162 0.584 0.584 weight 1.000 ! spec=cnoesy, no=164, id=814, vol=3.874095e+06 assign (segid " " and resid 18 and name HN) (segid " " and resid 15 and name HA) 2.637 0.869 0.869 weight 1.000 ! spec=cnoesy, no=166, id=816, vol=1.176416e+06 assign (segid " " and resid 15 and name HA) (segid " " and resid 18 and name HB2) 2.621 0.858 0.858 weight 1.000 ! spec=cnoesy, no=167, id=817, vol=1.220697e+06 assign (segid " " and resid 15 and name HA) (segid " " and resid 15 and name HT3) 2.489 0.775 0.775 weight 1.000 ! spec=cnoesy, no=169, id=819, vol=1.661781e+06 or (segid " " and resid 15 and name HA) (segid " " and resid 15 and name HT2) or (segid " " and resid 15 and name HA) (segid " " and resid 15 and name HT1) assign (segid " " and resid 45 and name HN) (segid " " and resid 44 and name HA) 2.134 0.569 0.569 weight 1.000 ! spec=cnoesy, no=170, id=820, vol=4.183119e+06 assign (segid " " and resid 31 and name HN) (segid " " and resid 44 and name HA) 2.429 0.738 0.738 weight 1.000 ! spec=cnoesy, no=171, id=821, vol=1.922889e+06 assign (segid " " and resid 38 and name HA) (segid " " and resid 38 and name HB2) 2.100 0.551 0.551 weight 1.000 ! spec=cnoesy, no=174, id=823, vol=4.605644e+06 assign (segid " " and resid 33 and name HN) (segid " " and resid 32 and name HA) 2.048 0.524 0.524 weight 1.000 ! spec=cnoesy, no=176, id=825, vol=5.358495e+06 assign (segid " " and resid 32 and name HN) (segid " " and resid 32 and name HA) 2.323 0.675 0.675 weight 1.000 ! spec=cnoesy, no=177, id=826, vol=2.514016e+06 assign (segid " " and resid 32 and name HA) (segid " " and resid 32 and name HG2) 2.475 0.766 0.766 weight 1.000 ! spec=cnoesy, no=178, id=827, vol=1.719994e+06 assign (segid " " and resid 40 and name HN) (segid " " and resid 40 and name HA) 2.575 0.829 0.829 weight 1.000 ! spec=cnoesy, no=179, id=828, vol=1.356903e+06 assign (segid " " and resid 40 and name HA) (segid " " and resid 40 and name HD2) 2.281 0.651 0.651 weight 1.000 ! spec=cnoesy, no=180, id=829, vol=2.803394e+06 assign (segid " " and resid 40 and name HA) (segid " " and resid 40 and name HB1) 2.216 0.614 0.614 weight 1.000 ! spec=cnoesy, no=181, id=830, vol=3.337132e+06 assign (segid " " and resid 53 and name HA) (segid " " and resid 53 and name HB2) 3.349 1.402 1.402 weight 1.000 ! spec=cnoesy, no=182, id=831, vol=2.804000e+05 assign (segid " " and resid 53 and name HA) (segid " " and resid 53 and name HG2) 2.061 0.531 0.531 weight 1.000 ! spec=cnoesy, no=183, id=832, vol=5.157874e+06 assign (segid " " and resid 57 and name HA) (segid " " and resid 57 and name HN) 2.224 0.618 0.618 weight 1.000 ! spec=cnoesy, no=185, id=834, vol=3.264709e+06 assign (segid " " and resid 57 and name HA) (segid " " and resid 57 and name HB2) 2.140 0.573 0.573 weight 1.000 ! spec=cnoesy, no=186, id=835, vol=4.111278e+06 assign (segid " " and resid 70 and name HA) (segid " " and resid 64 and name HG2) 2.324 0.675 0.675 weight 1.000 ! spec=cnoesy, no=188, id=837, vol=2.511691e+06 assign (segid " " and resid 70 and name HA) (segid " " and resid 64 and name HG1) 2.337 0.683 0.683 weight 1.000 ! spec=cnoesy, no=189, id=838, vol=2.424953e+06 assign (segid " " and resid 70 and name HA) (segid " " and resid 70 and name HB2) 2.052 0.526 0.526 weight 1.000 ! spec=cnoesy, no=190, id=839, vol=5.301456e+06 or (segid " " and resid 70 and name HA) (segid " " and resid 70 and name HB1) or (segid " " and resid 70 and name HA) (segid " " and resid 70 and name HB3) assign (segid " " and resid 74 and name HN) (segid " " and resid 74 and name HA) 2.451 0.751 0.751 weight 1.000 ! spec=cnoesy, no=191, id=840, vol=1.822260e+06 assign (segid " " and resid 74 and name HA) (segid " " and resid 61 and name HA2) 2.134 0.569 0.569 weight 1.000 ! spec=cnoesy, no=192, id=841, vol=4.186516e+06 assign (segid " " and resid 74 and name HA) (segid " " and resid 74 and name HB2) 1.805 0.407 0.407 weight 1.000 ! spec=cnoesy, no=193, id=842, vol=1.143512e+07 or (segid " " and resid 74 and name HA) (segid " " and resid 74 and name HB1) or (segid " " and resid 74 and name HA) (segid " " and resid 74 and name HB3) assign (segid " " and resid 75 and name HN) (segid " " and resid 75 and name HA) 2.188 0.599 0.599 weight 1.000 ! spec=cnoesy, no=194, id=843, vol=3.601484e+06 assign (segid " " and resid 75 and name HA) (segid " " and resid 78 and name HD22) 2.029 0.515 0.515 weight 1.000 ! spec=cnoesy, no=195, id=844, vol=5.658491e+06 or (segid " " and resid 75 and name HA) (segid " " and resid 78 and name HD21) or (segid " " and resid 75 and name HA) (segid " " and resid 78 and name HD23) assign (segid " " and resid 78 and name HN) (segid " " and resid 75 and name HA) 2.886 1.041 1.041 weight 1.000 ! spec=cnoesy, no=196, id=845, vol=6.847980e+05 assign (segid " " and resid 75 and name HA) (segid " " and resid 78 and name HB2) 2.246 0.631 0.631 weight 1.000 ! spec=cnoesy, no=197, id=846, vol=3.078626e+06 assign (segid " " and resid 75 and name HA) (segid " " and resid 78 and name HB1) 2.451 0.751 0.751 weight 1.000 ! spec=cnoesy, no=198, id=847, vol=1.825242e+06 assign (segid " " and resid 75 and name HA) (segid " " and resid 46 and name HG22) 2.128 0.566 0.566 weight 1.000 ! spec=cnoesy, no=199, id=848, vol=4.260478e+06 or (segid " " and resid 75 and name HA) (segid " " and resid 46 and name HG21) or (segid " " and resid 75 and name HA) (segid " " and resid 46 and name HG23) assign (segid " " and resid 37 and name HA) (segid " " and resid 37 and name HB2) 1.993 0.496 0.496 weight 1.000 ! spec=cnoesy, no=200, id=849, vol=6.310202e+06 or (segid " " and resid 37 and name HA) (segid " " and resid 37 and name HB1) or (segid " " and resid 37 and name HA) (segid " " and resid 37 and name HB3) assign (segid " " and resid 52 and name HA) (segid " " and resid 52 and name HB2) 1.880 0.442 0.442 weight 1.000 ! spec=cnoesy, no=202, id=851, vol=8.940562e+06 assign (segid " " and resid 48 and name HN) (segid " " and resid 47 and name HA) 2.157 0.582 0.582 weight 1.000 ! spec=cnoesy, no=203, id=852, vol=3.924120e+06 assign (segid " " and resid 47 and name HA) (segid " " and resid 78 and name HD12) 2.428 0.737 0.737 weight 1.000 ! spec=cnoesy, no=205, id=854, vol=1.927528e+06 or (segid " " and resid 47 and name HA) (segid " " and resid 78 and name HD11) or (segid " " and resid 47 and name HA) (segid " " and resid 78 and name HD13) assign (segid " " and resid 29 and name HA) (segid " " and resid 29 and name HB1) 2.276 0.648 0.648 weight 1.000 ! spec=cnoesy, no=206, id=855, vol=2.843051e+06 assign (segid " " and resid 54 and name HN) (segid " " and resid 53 and name HA) 2.718 0.924 0.924 weight 1.000 ! spec=cnoesy, no=208, id=857, vol=9.798055e+05 assign (segid " " and resid 21 and name HN) (segid " " and resid 21 and name HA) 2.284 0.652 0.652 weight 1.000 ! spec=cnoesy, no=211, id=860, vol=2.786957e+06 assign (segid " " and resid 21 and name HA) (segid " " and resid 21 and name HD1) 2.203 0.606 0.606 weight 1.000 ! spec=cnoesy, no=212, id=861, vol=3.462947e+06 assign (segid " " and resid 21 and name HA) (segid " " and resid 21 and name HD2) 2.416 0.730 0.730 weight 1.000 ! spec=cnoesy, no=214, id=863, vol=1.985844e+06 assign (segid " " and resid 34 and name HN) (segid " " and resid 33 and name HA) 2.223 0.618 0.618 weight 1.000 ! spec=cnoesy, no=215, id=864, vol=3.274107e+06 assign (segid " " and resid 62 and name HA) (segid " " and resid 62 and name HB2) 3.918 1.919 1.919 weight 1.000 ! spec=cnoesy, no=219, id=867, vol=1.093000e+05 assign (segid " " and resid 23 and name HN) (segid " " and resid 22 and name HA) 2.326 0.676 0.676 weight 1.000 ! spec=cnoesy, no=220, id=868, vol=2.494909e+06 assign (segid " " and resid 22 and name HN) (segid " " and resid 22 and name HA) 1.920 0.461 0.461 weight 1.000 ! spec=cnoesy, no=221, id=869, vol=7.904365e+06 assign (segid " " and resid 22 and name HA) (segid " " and resid 22 and name HB2) 2.180 0.594 0.594 weight 1.000 ! spec=cnoesy, no=222, id=870, vol=3.687874e+06 assign (segid " " and resid 83 and name HA) (segid " " and resid 84 and name HN) 2.494 0.778 0.778 weight 1.000 ! spec=cnoesy, no=224, id=872, vol=1.642173e+06 assign (segid " " and resid 64 and name HA) (segid " " and resid 65 and name HD2) 1.999 0.500 0.500 weight 1.000 ! spec=cnoesy, no=226, id=874, vol=6.194296e+06 assign (segid " " and resid 64 and name HA) (segid " " and resid 65 and name HD1) 2.218 0.615 0.615 weight 1.000 ! spec=cnoesy, no=227, id=875, vol=3.317027e+06 assign (segid " " and resid 64 and name HA) (segid " " and resid 64 and name HG1) 2.796 0.977 0.977 weight 1.000 ! spec=cnoesy, no=228, id=876, vol=8.280174e+05 assign (segid " " and resid 64 and name HN) (segid " " and resid 64 and name HA) 2.720 0.925 0.925 weight 1.000 ! spec=cnoesy, no=229, id=877, vol=9.754044e+05 assign (segid " " and resid 64 and name HA) (segid " " and resid 64 and name HG2) 2.691 0.905 0.905 weight 1.000 ! spec=cnoesy, no=230, id=878, vol=1.041595e+06 assign (segid " " and resid 23 and name HN) (segid " " and resid 23 and name HA) 2.667 0.889 0.889 weight 1.000 ! spec=cnoesy, no=232, id=880, vol=1.097992e+06 assign (segid " " and resid 23 and name HA) (segid " " and resid 23 and name HD1) 2.231 0.622 0.622 weight 1.000 ! spec=cnoesy, no=233, id=881, vol=3.208109e+06 assign (segid " " and resid 23 and name HA) (segid " " and resid 24 and name HD2) 1.959 0.480 0.480 weight 1.000 ! spec=cnoesy, no=234, id=882, vol=6.990270e+06 assign (segid " " and resid 23 and name HA) (segid " " and resid 23 and name HB2) 2.368 0.701 0.701 weight 1.000 ! spec=cnoesy, no=235, id=883, vol=2.242052e+06 assign (segid " " and resid 23 and name HA) (segid " " and resid 23 and name HB1) 2.534 0.803 0.803 weight 1.000 ! spec=cnoesy, no=237, id=885, vol=1.492051e+06 assign (segid " " and resid 65 and name HD2) (segid " " and resid 65 and name HD1) 1.904 0.453 0.453 weight 1.000 ! spec=cnoesy, no=242, id=890, vol=8.291358e+06 assign (segid " " and resid 39 and name HN) (segid " " and resid 39 and name HA) 2.690 0.904 0.904 weight 1.000 ! spec=cnoesy, no=243, id=891, vol=1.044096e+06 assign (segid " " and resid 40 and name HN) (segid " " and resid 39 and name HA) 2.267 0.642 0.642 weight 1.000 ! spec=cnoesy, no=244, id=892, vol=2.913452e+06 assign (segid " " and resid 39 and name HA) (segid " " and resid 39 and name HB2) 2.023 0.512 0.512 weight 1.000 ! spec=cnoesy, no=245, id=893, vol=5.760738e+06 or (segid " " and resid 39 and name HA) (segid " " and resid 39 and name HB1) or (segid " " and resid 39 and name HA) (segid " " and resid 39 and name HB3) assign (segid " " and resid 65 and name HD2) (segid " " and resid 65 and name HB2) 2.795 0.977 0.977 weight 1.000 ! spec=cnoesy, no=246, id=894, vol=8.290237e+05 assign (segid " " and resid 26 and name HD1) (segid " " and resid 25 and name HA) 2.310 0.667 0.667 weight 1.000 ! spec=cnoesy, no=247, id=895, vol=2.604487e+06 assign (segid " " and resid 26 and name HD1) (segid " " and resid 26 and name HD2) 1.927 0.464 0.464 weight 1.000 ! spec=cnoesy, no=248, id=896, vol=7.720489e+06 assign (segid " " and resid 26 and name HD1) (segid " " and resid 26 and name HB1) 3.000 1.125 1.125 weight 1.000 ! spec=cnoesy, no=250, id=898, vol=5.421609e+05 assign (segid " " and resid 49 and name HA) (segid " " and resid 55 and name HA) 2.182 0.595 0.595 weight 1.000 ! spec=cnoesy, no=251, id=899, vol=3.662171e+06 assign (segid " " and resid 49 and name HA) (segid " " and resid 49 and name HB1) 2.535 0.803 0.803 weight 1.000 ! spec=cnoesy, no=253, id=901, vol=1.491381e+06 assign (segid " " and resid 49 and name HA) (segid " " and resid 55 and name HE3) 2.743 0.940 0.940 weight 1.000 ! spec=cnoesy, no=255, id=903, vol=9.290147e+05 assign (segid " " and resid 50 and name HN) (segid " " and resid 49 and name HA) 2.105 0.554 0.554 weight 1.000 ! spec=cnoesy, no=256, id=904, vol=4.547842e+06 assign (segid " " and resid 62 and name HA) (segid " " and resid 63 and name HD2) 2.072 0.537 0.537 weight 1.000 ! spec=cnoesy, no=258, id=905, vol=4.994871e+06 assign (segid " " and resid 63 and name HD2) (segid " " and resid 62 and name HB2) 3.747 1.755 1.755 weight 1.000 ! spec=cnoesy, no=259, id=906, vol=1.429000e+05 assign (segid " " and resid 63 and name HD1) (segid " " and resid 62 and name HA) 2.092 0.547 0.547 weight 1.000 ! spec=cnoesy, no=260, id=907, vol=4.718020e+06 assign (segid " " and resid 24 and name HD1) (segid " " and resid 23 and name HA) 2.296 0.659 0.659 weight 1.000 ! spec=cnoesy, no=261, id=908, vol=2.697298e+06 assign (segid " " and resid 24 and name HD1) (segid " " and resid 23 and name HB2) 2.779 0.965 0.965 weight 1.000 ! spec=cnoesy, no=262, id=909, vol=8.590823e+05 assign (segid " " and resid 34 and name HN) (segid " " and resid 34 and name HA2) 2.529 0.800 0.800 weight 1.000 ! spec=cnoesy, no=270, id=917, vol=1.510272e+06 assign (segid " " and resid 54 and name HN) (segid " " and resid 54 and name HA2) 2.365 0.699 0.699 weight 1.000 ! spec=cnoesy, no=272, id=919, vol=2.261193e+06 assign (segid " " and resid 55 and name HN) (segid " " and resid 54 and name HA2) 2.229 0.621 0.621 weight 1.000 ! spec=cnoesy, no=274, id=921, vol=3.220343e+06 assign (segid " " and resid 54 and name HA2) (segid " " and resid 49 and name HA) 2.675 0.895 0.895 weight 1.000 ! spec=cnoesy, no=275, id=922, vol=1.078028e+06 assign (segid " " and resid 55 and name HN) (segid " " and resid 54 and name HA1) 2.142 0.574 0.574 weight 1.000 ! spec=cnoesy, no=276, id=923, vol=4.092471e+06 assign (segid " " and resid 54 and name HN) (segid " " and resid 54 and name HA1) 2.231 0.622 0.622 weight 1.000 ! spec=cnoesy, no=277, id=924, vol=3.210410e+06 assign (segid " " and resid 54 and name HA2) (segid " " and resid 54 and name HA1) 1.766 0.390 0.390 weight 1.000 ! spec=cnoesy, no=278, id=925, vol=1.303280e+07 assign (segid " " and resid 61 and name HA2) (segid " " and resid 74 and name HB2) 2.859 1.022 1.022 weight 1.000 ! spec=cnoesy, no=279, id=926, vol=7.233641e+05 or (segid " " and resid 61 and name HA2) (segid " " and resid 74 and name HB1) or (segid " " and resid 61 and name HA2) (segid " " and resid 74 and name HB3) assign (segid " " and resid 61 and name HN) (segid " " and resid 61 and name HA2) 2.560 0.819 0.819 weight 1.000 ! spec=cnoesy, no=280, id=927, vol=1.403519e+06 assign (segid " " and resid 62 and name HN) (segid " " and resid 61 and name HA2) 2.361 0.697 0.697 weight 1.000 ! spec=cnoesy, no=281, id=928, vol=2.282964e+06 assign (segid " " and resid 61 and name HN) (segid " " and resid 61 and name HA1) 2.437 0.742 0.742 weight 1.000 ! spec=cnoesy, no=283, id=930, vol=1.887900e+06 assign (segid " " and resid 61 and name HA1) (segid " " and resid 74 and name HB2) 2.669 0.890 0.890 weight 1.000 ! spec=cnoesy, no=284, id=931, vol=1.094463e+06 or (segid " " and resid 61 and name HA1) (segid " " and resid 74 and name HB1) or (segid " " and resid 61 and name HA1) (segid " " and resid 74 and name HB3) assign (segid " " and resid 34 and name HA2) (segid " " and resid 34 and name HA1) 1.607 0.323 0.323 weight 1.000 ! spec=cnoesy, no=285, id=932, vol=2.298659e+07 assign (segid " " and resid 46 and name HN) (segid " " and resid 45 and name HA2) 2.324 0.675 0.675 weight 1.000 ! spec=cnoesy, no=287, id=934, vol=2.506580e+06 assign (segid " " and resid 45 and name HA2) (segid " " and resid 60 and name HA) 2.482 0.770 0.770 weight 1.000 ! spec=cnoesy, no=288, id=935, vol=1.690996e+06 assign (segid " " and resid 36 and name HD2) (segid " " and resid 35 and name HA2) 2.039 0.519 0.519 weight 1.000 ! spec=cnoesy, no=294, id=940, vol=5.508616e+06 or (segid " " and resid 36 and name HD1) (segid " " and resid 35 and name HA2) assign (segid " " and resid 35 and name HA2) (segid " " and resid 35 and name HA1) 1.774 0.393 0.393 weight 1.000 ! spec=cnoesy, no=295, id=941, vol=1.268987e+07 assign (segid " " and resid 45 and name HA2) (segid " " and resid 45 and name HA1) 1.932 0.467 0.467 weight 1.000 ! spec=cnoesy, no=298, id=944, vol=7.603767e+06 assign (segid " " and resid 45 and name HA1) (segid " " and resid 60 and name HA) 2.559 0.819 0.819 weight 1.000 ! spec=cnoesy, no=299, id=945, vol=1.407355e+06 assign (segid " " and resid 45 and name HA1) (segid " " and resid 60 and name HG11) 2.755 0.949 0.949 weight 1.000 ! spec=cnoesy, no=300, id=946, vol=9.047913e+05 assign (segid " " and resid 45 and name HA1) (segid " " and resid 60 and name HD12) 2.385 0.711 0.711 weight 1.000 ! spec=cnoesy, no=301, id=947, vol=2.150353e+06 or (segid " " and resid 45 and name HA1) (segid " " and resid 60 and name HD11) or (segid " " and resid 45 and name HA1) (segid " " and resid 60 and name HD13) assign (segid " " and resid 45 and name HN) (segid " " and resid 45 and name HA1) 2.593 0.841 0.841 weight 1.000 ! spec=cnoesy, no=302, id=948, vol=1.300490e+06 assign (segid " " and resid 45 and name HA1) (segid " " and resid 58 and name HG2) 2.698 0.910 0.910 weight 1.000 ! spec=cnoesy, no=303, id=949, vol=1.026176e+06 or (segid " " and resid 45 and name HA1) (segid " " and resid 58 and name HG1) assign (segid " " and resid 29 and name HD2) (segid " " and resid 29 and name HD1) 1.956 0.478 0.478 weight 1.000 ! spec=cnoesy, no=304, id=950, vol=7.060594e+06 assign (segid " " and resid 29 and name HD2) (segid " " and resid 29 and name HG2) 2.860 1.022 1.022 weight 1.000 ! spec=cnoesy, no=305, id=951, vol=7.225886e+05 assign (segid " " and resid 29 and name HD2) (segid " " and resid 29 and name HG1) 2.912 1.060 1.060 weight 1.000 ! spec=cnoesy, no=306, id=952, vol=6.487374e+05 assign (segid " " and resid 29 and name HD1) (segid " " and resid 29 and name HG1) 3.106 1.206 1.206 weight 1.000 ! spec=cnoesy, no=312, id=957, vol=4.403438e+05 assign (segid " " and resid 29 and name HD1) (segid " " and resid 29 and name HG2) 2.311 0.668 0.668 weight 1.000 ! spec=cnoesy, no=313, id=958, vol=2.592511e+06 assign (segid " " and resid 29 and name HD1) (segid " " and resid 29 and name HB1) 2.126 0.565 0.565 weight 1.000 ! spec=cnoesy, no=314, id=959, vol=4.277878e+06 assign (segid " " and resid 42 and name HB1) (segid " " and resid 42 and name HD1) 4.291 2.302 2.302 weight 1.000 ! spec=cnoesy, no=318, id=963, vol=6.334000e+04 assign (segid " " and resid 32 and name HE1) (segid " " and resid 32 and name HG2) 2.377 0.706 0.706 weight 1.000 ! spec=cnoesy, no=325, id=969, vol=2.191433e+06 assign (segid " " and resid 32 and name HE1) (segid " " and resid 32 and name HG1) 2.479 0.768 0.768 weight 1.000 ! spec=cnoesy, no=326, id=970, vol=1.702378e+06 assign (segid " " and resid 21 and name HE1) (segid " " and resid 21 and name HD2) 2.630 0.865 0.865 weight 1.000 ! spec=cnoesy, no=327, id=971, vol=1.193693e+06 assign (segid " " and resid 81 and name HB2) (segid " " and resid 82 and name HN) 2.723 0.927 0.927 weight 1.000 ! spec=cnoesy, no=328, id=972, vol=9.697819e+05 assign (segid " " and resid 81 and name HB1) (segid " " and resid 82 and name HN) 2.583 0.834 0.834 weight 1.000 ! spec=cnoesy, no=331, id=974, vol=1.332120e+06 assign (segid " " and resid 81 and name HB1) (segid " " and resid 81 and name HA) 2.247 0.631 0.631 weight 1.000 ! spec=cnoesy, no=332, id=975, vol=3.073754e+06 assign (segid " " and resid 20 and name HN) (segid " " and resid 19 and name HB1) 2.579 0.831 0.831 weight 1.000 ! spec=cnoesy, no=333, id=976, vol=1.343740e+06 assign (segid " " and resid 19 and name HB1) (segid " " and resid 16 and name HA) 2.771 0.960 0.960 weight 1.000 ! spec=cnoesy, no=334, id=977, vol=8.738326e+05 assign (segid " " and resid 40 and name HE2) (segid " " and resid 40 and name HG1) 2.559 0.819 0.819 weight 1.000 ! spec=cnoesy, no=347, id=989, vol=1.407224e+06 assign (segid " " and resid 21 and name HE2) (segid " " and resid 21 and name HD2) 2.750 0.945 0.945 weight 1.000 ! spec=cnoesy, no=349, id=991, vol=9.144870e+05 assign (segid " " and resid 21 and name HE2) (segid " " and resid 21 and name HD1) 2.300 0.661 0.661 weight 1.000 ! spec=cnoesy, no=350, id=992, vol=2.670412e+06 assign (segid " " and resid 21 and name HE2) (segid " " and resid 21 and name HG1) 2.745 0.942 0.942 weight 1.000 ! spec=cnoesy, no=351, id=993, vol=9.241286e+05 assign (segid " " and resid 21 and name HE1) (segid " " and resid 21 and name HD1) 2.284 0.652 0.652 weight 1.000 ! spec=cnoesy, no=352, id=994, vol=2.786190e+06 assign (segid " " and resid 21 and name HE1) (segid " " and resid 21 and name HG1) 2.653 0.880 0.880 weight 1.000 ! spec=cnoesy, no=353, id=995, vol=1.134991e+06 assign (segid " " and resid 81 and name HB2) (segid " " and resid 78 and name HA) 2.739 0.938 0.938 weight 1.000 ! spec=cnoesy, no=354, id=996, vol=9.369354e+05 assign (segid " " and resid 81 and name HB2) (segid " " and resid 81 and name HG) 2.131 0.567 0.567 weight 1.000 ! spec=cnoesy, no=355, id=997, vol=4.227378e+06 assign (segid " " and resid 81 and name HN) (segid " " and resid 81 and name HB2) 2.234 0.624 0.624 weight 1.000 ! spec=cnoesy, no=356, id=998, vol=3.180323e+06 assign (segid " " and resid 81 and name HB2) (segid " " and resid 81 and name HA) 2.188 0.598 0.598 weight 1.000 ! spec=cnoesy, no=357, id=999, vol=3.605800e+06 assign (segid " " and resid 77 and name HN) (segid " " and resid 77 and name HB2) 2.497 0.780 0.780 weight 1.000 ! spec=cnoesy, no=359, id=1001, vol=1.630193e+06 assign (segid " " and resid 77 and name HB2) (segid " " and resid 77 and name HB1) 1.811 0.410 0.410 weight 1.000 ! spec=cnoesy, no=361, id=1003, vol=1.119366e+07 assign (segid " " and resid 81 and name HN) (segid " " and resid 81 and name HB1) 2.243 0.629 0.629 weight 1.000 ! spec=cnoesy, no=364, id=1005, vol=3.108356e+06 assign (segid " " and resid 81 and name HB1) (segid " " and resid 78 and name HA) 2.692 0.906 0.906 weight 1.000 ! spec=cnoesy, no=365, id=1006, vol=1.038868e+06 assign (segid " " and resid 79 and name HA) (segid " " and resid 79 and name HB2) 2.614 0.854 0.854 weight 1.000 ! spec=cnoesy, no=368, id=1009, vol=1.240408e+06 assign (segid " " and resid 79 and name HB2) (segid " " and resid 79 and name HB1) 1.977 0.489 0.489 weight 1.000 ! spec=cnoesy, no=370, id=1011, vol=6.619210e+06 assign (segid " " and resid 19 and name HN) (segid " " and resid 19 and name HB2) 2.360 0.696 0.696 weight 1.000 ! spec=cnoesy, no=372, id=1013, vol=2.287410e+06 assign (segid " " and resid 16 and name HA) (segid " " and resid 19 and name HB2) 2.630 0.864 0.864 weight 1.000 ! spec=cnoesy, no=374, id=1015, vol=1.195272e+06 assign (segid " " and resid 19 and name HA) (segid " " and resid 19 and name HB2) 2.319 0.672 0.672 weight 1.000 ! spec=cnoesy, no=375, id=1016, vol=2.544573e+06 assign (segid " " and resid 19 and name HB2) (segid " " and resid 19 and name HB1) 1.668 0.348 0.348 weight 1.000 ! spec=cnoesy, no=376, id=1017, vol=1.835337e+07 assign (segid " " and resid 77 and name HN) (segid " " and resid 77 and name HB1) 2.627 0.862 0.862 weight 1.000 ! spec=cnoesy, no=380, id=1021, vol=1.203990e+06 assign (segid " " and resid 82 and name HB1) (segid " " and resid 82 and name HA) 2.147 0.576 0.576 weight 1.000 ! spec=cnoesy, no=381, id=1022, vol=4.031750e+06 assign (segid " " and resid 82 and name HB1) (segid " " and resid 82 and name HB2) 1.704 0.363 0.363 weight 1.000 ! spec=cnoesy, no=384, id=1025, vol=1.613728e+07 assign (segid " " and resid 57 and name HN) (segid " " and resid 57 and name HB1) 2.318 0.672 0.672 weight 1.000 ! spec=cnoesy, no=388, id=1029, vol=2.549252e+06 assign (segid " " and resid 57 and name HA) (segid " " and resid 57 and name HB1) 2.413 0.728 0.728 weight 1.000 ! spec=cnoesy, no=389, id=1030, vol=2.003843e+06 assign (segid " " and resid 57 and name HB2) (segid " " and resid 57 and name HB1) 1.689 0.357 0.357 weight 1.000 ! spec=cnoesy, no=390, id=1031, vol=1.700806e+07 assign (segid " " and resid 78 and name HB2) (segid " " and resid 79 and name HN) 2.900 1.051 1.051 weight 1.000 ! spec=cnoesy, no=391, id=1032, vol=6.644437e+05 assign (segid " " and resid 78 and name HN) (segid " " and resid 78 and name HB2) 2.329 0.678 0.678 weight 1.000 ! spec=cnoesy, no=394, id=1035, vol=2.477407e+06 assign (segid " " and resid 78 and name HB2) (segid " " and resid 78 and name HB1) 1.985 0.493 0.493 weight 1.000 ! spec=cnoesy, no=397, id=1038, vol=6.460170e+06 assign (segid " " and resid 72 and name HB2) (segid " " and resid 69 and name HA) 4.863 2.956 2.956 weight 1.000 ! spec=cnoesy, no=402, id=1043, vol=2.989000e+04 assign (segid " " and resid 72 and name HB1) (segid " " and resid 69 and name HA) 4.482 2.511 2.511 weight 1.000 ! spec=cnoesy, no=403, id=1044, vol=4.879000e+04 assign (segid " " and resid 72 and name HB1) (segid " " and resid 72 and name HN) 2.664 0.887 0.887 weight 1.000 ! spec=cnoesy, no=404, id=1045, vol=1.105479e+06 assign (segid " " and resid 52 and name HB1) (segid " " and resid 52 and name HA) 2.120 0.562 0.562 weight 1.000 ! spec=cnoesy, no=405, id=1046, vol=4.349521e+06 assign (segid " " and resid 58 and name HN) (segid " " and resid 57 and name HB1) 2.963 1.098 1.098 weight 1.000 ! spec=cnoesy, no=409, id=1049, vol=5.836902e+05 assign (segid " " and resid 72 and name HB1) (segid " " and resid 72 and name HA) 2.494 0.777 0.777 weight 1.000 ! spec=cnoesy, no=410, id=1050, vol=1.643435e+06 assign (segid " " and resid 83 and name HB2) (segid " " and resid 83 and name HN) 2.339 0.684 0.684 weight 1.000 ! spec=cnoesy, no=411, id=1051, vol=2.415935e+06 assign (segid " " and resid 83 and name HB2) (segid " " and resid 83 and name HA) 2.426 0.736 0.736 weight 1.000 ! spec=cnoesy, no=412, id=1052, vol=1.939314e+06 assign (segid " " and resid 83 and name HB2) (segid " " and resid 80 and name HA) 2.593 0.841 0.841 weight 1.000 ! spec=cnoesy, no=413, id=1053, vol=1.299278e+06 assign (segid " " and resid 83 and name HA) (segid " " and resid 83 and name HB1) 2.330 0.679 0.679 weight 1.000 ! spec=cnoesy, no=414, id=1054, vol=2.468397e+06 assign (segid " " and resid 83 and name HN) (segid " " and resid 83 and name HB1) 2.318 0.672 0.672 weight 1.000 ! spec=cnoesy, no=415, id=1055, vol=2.547209e+06 assign (segid " " and resid 60 and name HB) (segid " " and resid 60 and name HA) 2.629 0.864 0.864 weight 1.000 ! spec=cnoesy, no=416, id=1056, vol=1.196241e+06 assign (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HB) 2.304 0.664 0.664 weight 1.000 ! spec=cnoesy, no=417, id=1057, vol=2.640958e+06 assign (segid " " and resid 17 and name HN) (segid " " and resid 17 and name HB) 2.213 0.612 0.612 weight 1.000 ! spec=cnoesy, no=419, id=1059, vol=3.370461e+06 assign (segid " " and resid 17 and name HB) (segid " " and resid 82 and name HD22) 4.914 3.018 3.018 weight 1.000 ! spec=cnoesy, no=421, id=1061, vol=2.808000e+04 or (segid " " and resid 17 and name HB) (segid " " and resid 82 and name HD21) or (segid " " and resid 17 and name HB) (segid " " and resid 82 and name HD23) assign (segid " " and resid 17 and name HB) (segid " " and resid 17 and name HD12) 2.106 0.554 0.554 weight 1.000 ! spec=cnoesy, no=422, id=1062, vol=4.535585e+06 or (segid " " and resid 17 and name HB) (segid " " and resid 17 and name HD11) or (segid " " and resid 17 and name HB) (segid " " and resid 17 and name HD13) assign (segid " " and resid 60 and name HB) (segid " " and resid 60 and name HG12) 2.428 0.737 0.737 weight 1.000 ! spec=cnoesy, no=424, id=1064, vol=1.930503e+06 assign (segid " " and resid 22 and name HN) (segid " " and resid 22 and name HB2) 2.698 0.910 0.910 weight 1.000 ! spec=cnoesy, no=435, id=1075, vol=1.024848e+06 assign (segid " " and resid 22 and name HB2) (segid " " and resid 22 and name HB1) 1.654 0.342 0.342 weight 1.000 ! spec=cnoesy, no=437, id=1077, vol=1.932394e+07 assign (segid " " and resid 62 and name HG2) (segid " " and resid 62 and name HA) 2.598 0.844 0.844 weight 1.000 ! spec=cnoesy, no=440, id=1080, vol=1.285591e+06 assign (segid " " and resid 62 and name HG2) (segid " " and resid 62 and name HB2) 2.230 0.622 0.622 weight 1.000 ! spec=cnoesy, no=441, id=1081, vol=3.214893e+06 assign (segid " " and resid 62 and name HG2) (segid " " and resid 62 and name HN) 2.685 0.901 0.901 weight 1.000 ! spec=cnoesy, no=442, id=1082, vol=1.054593e+06 assign (segid " " and resid 62 and name HG2) (segid " " and resid 62 and name HG1) 2.399 0.719 0.719 weight 1.000 ! spec=cnoesy, no=443, id=1083, vol=2.074000e+06 assign (segid " " and resid 62 and name HG2) (segid " " and resid 62 and name HB1) 2.400 0.720 0.720 weight 1.000 ! spec=cnoesy, no=444, id=1084, vol=2.070049e+06 assign (segid " " and resid 62 and name HG1) (segid " " and resid 62 and name HN) 2.804 0.983 0.983 weight 1.000 ! spec=cnoesy, no=445, id=1085, vol=8.138428e+05 assign (segid " " and resid 62 and name HG1) (segid " " and resid 62 and name HB1) 2.350 0.691 0.691 weight 1.000 ! spec=cnoesy, no=446, id=1086, vol=2.345395e+06 assign (segid " " and resid 62 and name HA) (segid " " and resid 62 and name HG1) 2.713 0.920 0.920 weight 1.000 ! spec=cnoesy, no=447, id=1087, vol=9.915063e+05 assign (segid " " and resid 80 and name HN) (segid " " and resid 80 and name HG2) 2.557 0.817 0.817 weight 1.000 ! spec=cnoesy, no=448, id=1088, vol=1.414383e+06 assign (segid " " and resid 80 and name HG2) (segid " " and resid 80 and name HA) 2.614 0.854 0.854 weight 1.000 ! spec=cnoesy, no=449, id=1089, vol=1.239293e+06 assign (segid " " and resid 80 and name HG1) (segid " " and resid 80 and name HN) 2.512 0.789 0.789 weight 1.000 ! spec=cnoesy, no=451, id=1091, vol=1.572526e+06 assign (segid " " and resid 80 and name HG2) (segid " " and resid 80 and name HG1) 1.677 0.351 0.351 weight 1.000 ! spec=cnoesy, no=452, id=1092, vol=1.778241e+07 assign (segid " " and resid 46 and name HA) (segid " " and resid 46 and name HB) 2.449 0.750 0.750 weight 1.000 ! spec=cnoesy, no=454, id=1094, vol=1.831398e+06 assign (segid " " and resid 46 and name HB) (segid " " and resid 46 and name HG22) 2.219 0.615 0.615 weight 1.000 ! spec=cnoesy, no=455, id=1095, vol=3.312518e+06 or (segid " " and resid 46 and name HB) (segid " " and resid 46 and name HG21) or (segid " " and resid 46 and name HB) (segid " " and resid 46 and name HG23) assign (segid " " and resid 32 and name HB2) (segid " " and resid 32 and name HN) 4.844 2.933 2.933 weight 1.000 ! spec=cnoesy, no=457, id=1097, vol=3.062000e+04 assign (segid " " and resid 48 and name HB) (segid " " and resid 48 and name HA) 2.726 0.929 0.929 weight 1.000 ! spec=cnoesy, no=459, id=1099, vol=9.637958e+05 assign (segid " " and resid 32 and name HB2) (segid " " and resid 32 and name HA) 2.455 0.753 0.753 weight 1.000 ! spec=cnoesy, no=460, id=1100, vol=1.806596e+06 assign (segid " " and resid 32 and name HB2) (segid " " and resid 43 and name HB) 2.429 0.738 0.738 weight 1.000 ! spec=cnoesy, no=461, id=1101, vol=1.924118e+06 assign (segid " " and resid 32 and name HB2) (segid " " and resid 32 and name HG2) 2.193 0.601 0.601 weight 1.000 ! spec=cnoesy, no=462, id=1102, vol=3.553582e+06 assign (segid " " and resid 48 and name HB) (segid " " and resid 48 and name HG12) 2.052 0.526 0.526 weight 1.000 ! spec=cnoesy, no=463, id=1103, vol=5.295742e+06 or (segid " " and resid 48 and name HB) (segid " " and resid 48 and name HG11) or (segid " " and resid 48 and name HB) (segid " " and resid 48 and name HG13) assign (segid " " and resid 48 and name HN) (segid " " and resid 47 and name HB1) 2.578 0.831 0.831 weight 1.000 ! spec=cnoesy, no=466, id=1106, vol=1.346425e+06 assign (segid " " and resid 49 and name HB2) (segid " " and resid 49 and name HB1) 2.095 0.549 0.549 weight 1.000 ! spec=cnoesy, no=469, id=1108, vol=4.672587e+06 assign (segid " " and resid 29 and name HB2) (segid " " and resid 29 and name HA) 4.966 3.083 3.083 weight 1.000 ! spec=cnoesy, no=470, id=1109, vol=2.636000e+04 assign (segid " " and resid 29 and name HB2) (segid " " and resid 29 and name HG1) 2.813 0.989 0.989 weight 1.000 ! spec=cnoesy, no=472, id=1111, vol=7.987750e+05 assign (segid " " and resid 29 and name HB2) (segid " " and resid 29 and name HB1) 1.987 0.493 0.493 weight 1.000 ! spec=cnoesy, no=475, id=1114, vol=6.429347e+06 assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HB1) 2.905 1.055 1.055 weight 1.000 ! spec=cnoesy, no=476, id=1115, vol=6.572199e+05 assign (segid " " and resid 29 and name HB2) (segid " " and resid 29 and name HD1) 2.845 1.012 1.012 weight 1.000 ! spec=cnoesy, no=477, id=1116, vol=7.458256e+05 assign (segid " " and resid 25 and name HG2) (segid " " and resid 25 and name HG1) 1.741 0.379 0.379 weight 1.000 ! spec=cnoesy, no=478, id=1117, vol=1.418793e+07 assign (segid " " and resid 25 and name HG2) (segid " " and resid 25 and name HB2) 2.230 0.622 0.622 weight 1.000 ! spec=cnoesy, no=479, id=1118, vol=3.215679e+06 assign (segid " " and resid 25 and name HG2) (segid " " and resid 25 and name HB1) 2.219 0.615 0.615 weight 1.000 ! spec=cnoesy, no=480, id=1119, vol=3.311740e+06 assign (segid " " and resid 25 and name HN) (segid " " and resid 25 and name HG2) 2.533 0.802 0.802 weight 1.000 ! spec=cnoesy, no=481, id=1120, vol=1.495103e+06 assign (segid " " and resid 25 and name HG1) (segid " " and resid 25 and name HA) 4.754 2.825 2.825 weight 1.000 ! spec=cnoesy, no=482, id=1121, vol=3.426000e+04 assign (segid " " and resid 25 and name HG1) (segid " " and resid 25 and name HB2) 2.422 0.733 0.733 weight 1.000 ! spec=cnoesy, no=484, id=1123, vol=1.958767e+06 assign (segid " " and resid 25 and name HN) (segid " " and resid 25 and name HG1) 2.403 0.722 0.722 weight 1.000 ! spec=cnoesy, no=485, id=1124, vol=2.055063e+06 assign (segid " " and resid 41 and name HB1) (segid " " and resid 41 and name HA) 2.902 1.052 1.052 weight 1.000 ! spec=cnoesy, no=487, id=1126, vol=6.623232e+05 assign (segid " " and resid 25 and name HG1) (segid " " and resid 25 and name HB1) 2.272 0.645 0.645 weight 1.000 ! spec=cnoesy, no=489, id=1128, vol=2.872124e+06 assign (segid " " and resid 65 and name HB1) (segid " " and resid 65 and name HD2) 5.130 3.289 3.289 weight 1.000 ! spec=cnoesy, no=492, id=1131, vol=2.170000e+04 assign (segid " " and resid 26 and name HB2) (segid " " and resid 26 and name HA) 2.372 0.703 0.703 weight 1.000 ! spec=cnoesy, no=497, id=1136, vol=2.220779e+06 assign (segid " " and resid 26 and name HB2) (segid " " and resid 46 and name HG12) 2.514 0.790 0.790 weight 1.000 ! spec=cnoesy, no=500, id=1138, vol=1.564964e+06 or (segid " " and resid 26 and name HB2) (segid " " and resid 46 and name HG11) or (segid " " and resid 26 and name HB2) (segid " " and resid 46 and name HG13) assign (segid " " and resid 40 and name HB2) (segid " " and resid 42 and name HE1) 3.051 1.164 1.164 weight 1.000 ! spec=cnoesy, no=501, id=1139, vol=4.901882e+05 assign (segid " " and resid 40 and name HB2) (segid " " and resid 40 and name HA) 2.691 0.906 0.906 weight 1.000 ! spec=cnoesy, no=502, id=1140, vol=1.040046e+06 assign (segid " " and resid 40 and name HB2) (segid " " and resid 40 and name HB1) 1.824 0.416 0.416 weight 1.000 ! spec=cnoesy, no=504, id=1142, vol=1.072300e+07 assign (segid " " and resid 26 and name HB1) (segid " " and resid 26 and name HG2) 2.957 1.093 1.093 weight 1.000 ! spec=cnoesy, no=506, id=1144, vol=5.918781e+05 assign (segid " " and resid 26 and name HB2) (segid " " and resid 26 and name HB1) 1.895 0.449 0.449 weight 1.000 ! spec=cnoesy, no=507, id=1145, vol=8.527157e+06 assign (segid " " and resid 26 and name HB1) (segid " " and resid 46 and name HG12) 2.601 0.845 0.845 weight 1.000 ! spec=cnoesy, no=508, id=1146, vol=1.277863e+06 or (segid " " and resid 26 and name HB1) (segid " " and resid 46 and name HG11) or (segid " " and resid 26 and name HB1) (segid " " and resid 46 and name HG13) assign (segid " " and resid 64 and name HG1) (segid " " and resid 64 and name HG2) 2.009 0.505 0.505 weight 1.000 ! spec=cnoesy, no=512, id=1150, vol=6.012966e+06 assign (segid " " and resid 26 and name HB2) (segid " " and resid 28 and name HE1) 3.706 1.717 1.717 weight 1.000 ! spec=cnoesy, no=521, id=1159, vol=1.524919e+05 assign (segid " " and resid 68 and name HB2) (segid " " and resid 68 and name HN) 4.763 2.836 2.836 weight 1.000 ! spec=cnoesy, no=522, id=1160, vol=3.386000e+04 assign (segid " " and resid 68 and name HB2) (segid " " and resid 68 and name HA) 2.635 0.868 0.868 weight 1.000 ! spec=cnoesy, no=523, id=1161, vol=1.180153e+06 assign (segid " " and resid 68 and name HB1) (segid " " and resid 68 and name HN) 5.002 3.128 3.128 weight 1.000 ! spec=cnoesy, no=526, id=1164, vol=2.524000e+04 assign (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HB) 2.686 0.902 0.902 weight 1.000 ! spec=cnoesy, no=527, id=1165, vol=1.052508e+06 assign (segid " " and resid 71 and name HB2) (segid " " and resid 71 and name HB1) 2.317 0.671 0.671 weight 1.000 ! spec=cnoesy, no=530, id=1167, vol=2.556132e+06 assign (segid " " and resid 24 and name HB2) (segid " " and resid 24 and name HB1) 1.740 0.378 0.378 weight 1.000 ! spec=cnoesy, no=533, id=1170, vol=1.424952e+07 assign (segid " " and resid 76 and name HN) (segid " " and resid 76 and name HB) 2.366 0.700 0.700 weight 1.000 ! spec=cnoesy, no=534, id=1171, vol=2.252933e+06 assign (segid " " and resid 77 and name HN) (segid " " and resid 76 and name HB) 2.771 0.960 0.960 weight 1.000 ! spec=cnoesy, no=535, id=1172, vol=8.725247e+05 assign (segid " " and resid 24 and name HB1) (segid " " and resid 25 and name HN) 2.897 1.049 1.049 weight 1.000 ! spec=cnoesy, no=539, id=1176, vol=6.684474e+05 assign (segid " " and resid 53 and name HB1) (segid " " and resid 53 and name HA) 2.700 0.911 0.911 weight 1.000 ! spec=cnoesy, no=542, id=1179, vol=1.019854e+06 assign (segid " " and resid 25 and name HN) (segid " " and resid 24 and name HB2) 2.729 0.931 0.931 weight 1.000 ! spec=cnoesy, no=543, id=1180, vol=9.576162e+05 assign (segid " " and resid 25 and name HB2) (segid " " and resid 25 and name HA) 2.880 1.037 1.037 weight 1.000 ! spec=cnoesy, no=544, id=1181, vol=6.927903e+05 assign (segid " " and resid 63 and name HB2) (segid " " and resid 63 and name HA) 2.684 0.900 0.900 weight 1.000 ! spec=cnoesy, no=546, id=1183, vol=1.058037e+06 assign (segid " " and resid 58 and name HB2) (segid " " and resid 58 and name HB1) 2.090 0.546 0.546 weight 1.000 ! spec=cnoesy, no=548, id=1185, vol=4.737604e+06 assign (segid " " and resid 24 and name HB1) (segid " " and resid 24 and name HD2) 2.577 0.830 0.830 weight 1.000 ! spec=cnoesy, no=550, id=1187, vol=1.349707e+06 assign (segid " " and resid 63 and name HB1) (segid " " and resid 63 and name HA) 2.728 0.930 0.930 weight 1.000 ! spec=cnoesy, no=551, id=1188, vol=9.595126e+05 assign (segid " " and resid 63 and name HB2) (segid " " and resid 63 and name HB1) 1.848 0.427 0.427 weight 1.000 ! spec=cnoesy, no=552, id=1189, vol=9.920737e+06 assign (segid " " and resid 53 and name HB1) (segid " " and resid 53 and name HB2) 1.809 0.409 0.409 weight 1.000 ! spec=cnoesy, no=554, id=1191, vol=1.129595e+07 assign (segid " " and resid 58 and name HB1) (segid " " and resid 58 and name HA) 2.598 0.844 0.844 weight 1.000 ! spec=cnoesy, no=555, id=1192, vol=1.286541e+06 assign (segid " " and resid 58 and name HG2) (segid " " and resid 58 and name HB1) 2.067 0.534 0.534 weight 1.000 ! spec=cnoesy, no=556, id=1193, vol=5.071830e+06 or (segid " " and resid 58 and name HG1) (segid " " and resid 58 and name HB1) assign (segid " " and resid 38 and name HA) (segid " " and resid 38 and name HB1) 2.216 0.614 0.614 weight 1.000 ! spec=cnoesy, no=561, id=1198, vol=3.342846e+06 assign (segid " " and resid 38 and name HB2) (segid " " and resid 38 and name HB1) 1.801 0.405 0.405 weight 1.000 ! spec=cnoesy, no=562, id=1199, vol=1.160098e+07 assign (segid " " and resid 62 and name HB2) (segid " " and resid 63 and name HD1) 4.454 2.479 2.479 weight 1.000 ! spec=cnoesy, no=566, id=1203, vol=5.066000e+04 assign (segid " " and resid 62 and name HB2) (segid " " and resid 62 and name HB1) 1.927 0.464 0.464 weight 1.000 ! spec=cnoesy, no=567, id=1204, vol=7.730435e+06 assign (segid " " and resid 21 and name HB2) (segid " " and resid 21 and name HA) 2.681 0.898 0.898 weight 1.000 ! spec=cnoesy, no=573, id=1210, vol=1.065558e+06 assign (segid " " and resid 21 and name HB2) (segid " " and resid 21 and name HG2) 2.652 0.879 0.879 weight 1.000 ! spec=cnoesy, no=574, id=1211, vol=1.137023e+06 assign (segid " " and resid 21 and name HB1) (segid " " and resid 21 and name HG2) 2.679 0.897 0.897 weight 1.000 ! spec=cnoesy, no=575, id=1212, vol=1.069536e+06 assign (segid " " and resid 55 and name HB2) (segid " " and resid 55 and name HB1) 2.016 0.508 0.508 weight 1.000 ! spec=cnoesy, no=577, id=1214, vol=5.886290e+06 assign (segid " " and resid 55 and name HB2) (segid " " and resid 55 and name HA) 2.762 0.954 0.954 weight 1.000 ! spec=cnoesy, no=579, id=1216, vol=8.903244e+05 assign (segid " " and resid 23 and name HN) (segid " " and resid 23 and name HB2) 5.165 3.334 3.334 weight 1.000 ! spec=cnoesy, no=580, id=1217, vol=2.083000e+04 assign (segid " " and resid 20 and name HB2) (segid " " and resid 20 and name HN) 2.482 0.770 0.770 weight 1.000 ! spec=cnoesy, no=591, id=1228, vol=1.690309e+06 assign (segid " " and resid 20 and name HB2) (segid " " and resid 17 and name HA) 2.624 0.861 0.861 weight 1.000 ! spec=cnoesy, no=592, id=1229, vol=1.211142e+06 assign (segid " " and resid 20 and name HB2) (segid " " and resid 20 and name HA) 2.510 0.788 0.788 weight 1.000 ! spec=cnoesy, no=593, id=1230, vol=1.579465e+06 assign (segid " " and resid 20 and name HB1) (segid " " and resid 20 and name HN) 2.430 0.738 0.738 weight 1.000 ! spec=cnoesy, no=594, id=1231, vol=1.922378e+06 assign (segid " " and resid 20 and name HB1) (segid " " and resid 21 and name HN) 2.833 1.004 1.004 weight 1.000 ! spec=cnoesy, no=595, id=1232, vol=7.639516e+05 assign (segid " " and resid 20 and name HB1) (segid " " and resid 20 and name HA) 2.484 0.771 0.771 weight 1.000 ! spec=cnoesy, no=596, id=1233, vol=1.683624e+06 assign (segid " " and resid 80 and name HB2) (segid " " and resid 80 and name HA) 4.769 2.843 2.843 weight 1.000 ! spec=cnoesy, no=598, id=1235, vol=3.359000e+04 assign (segid " " and resid 80 and name HB2) (segid " " and resid 80 and name HB1) 2.873 1.032 1.032 weight 1.000 ! spec=cnoesy, no=599, id=1236, vol=7.030000e+05 assign (segid " " and resid 80 and name HB2) (segid " " and resid 80 and name HG2) 2.599 0.844 0.844 weight 1.000 ! spec=cnoesy, no=600, id=1237, vol=1.282229e+06 assign (segid " " and resid 17 and name HG12) (segid " " and resid 17 and name HG11) 1.929 0.465 0.465 weight 1.000 ! spec=cnoesy, no=604, id=1241, vol=7.682422e+06 assign (segid " " and resid 17 and name HG12) (segid " " and resid 17 and name HD12) 2.168 0.587 0.587 weight 1.000 ! spec=cnoesy, no=607, id=1244, vol=3.809405e+06 or (segid " " and resid 17 and name HG12) (segid " " and resid 17 and name HD11) or (segid " " and resid 17 and name HG12) (segid " " and resid 17 and name HD13) assign (segid " " and resid 17 and name HN) (segid " " and resid 17 and name HG11) 2.891 1.045 1.045 weight 1.000 ! spec=cnoesy, no=609, id=1246, vol=6.771228e+05 assign (segid " " and resid 17 and name HA) (segid " " and resid 17 and name HG11) 2.661 0.885 0.885 weight 1.000 ! spec=cnoesy, no=610, id=1247, vol=1.113192e+06 assign (segid " " and resid 17 and name HG11) (segid " " and resid 17 and name HD12) 2.184 0.596 0.596 weight 1.000 ! spec=cnoesy, no=612, id=1249, vol=3.643973e+06 or (segid " " and resid 17 and name HG11) (segid " " and resid 17 and name HD11) or (segid " " and resid 17 and name HG11) (segid " " and resid 17 and name HD13) assign (segid " " and resid 60 and name HG12) (segid " " and resid 60 and name HA) 2.786 0.970 0.970 weight 1.000 ! spec=cnoesy, no=624, id=1261, vol=8.452977e+05 assign (segid " " and resid 60 and name HG12) (segid " " and resid 60 and name HG11) 1.908 0.455 0.455 weight 1.000 ! spec=cnoesy, no=625, id=1262, vol=8.186621e+06 assign (segid " " and resid 60 and name HG12) (segid " " and resid 60 and name HD12) 2.115 0.559 0.559 weight 1.000 ! spec=cnoesy, no=626, id=1263, vol=4.417473e+06 or (segid " " and resid 60 and name HG12) (segid " " and resid 60 and name HD11) or (segid " " and resid 60 and name HG12) (segid " " and resid 60 and name HD13) assign (segid " " and resid 21 and name HD2) (segid " " and resid 21 and name HD1) 1.726 0.373 0.373 weight 1.000 ! spec=cnoesy, no=628, id=1265, vol=1.493469e+07 assign (segid " " and resid 60 and name HG11) (segid " " and resid 60 and name HD12) 2.079 0.541 0.541 weight 1.000 ! spec=cnoesy, no=630, id=1267, vol=4.889454e+06 or (segid " " and resid 60 and name HG11) (segid " " and resid 60 and name HD11) or (segid " " and resid 60 and name HG11) (segid " " and resid 60 and name HD13) assign (segid " " and resid 21 and name HD1) (segid " " and resid 21 and name HG1) 2.305 0.664 0.664 weight 1.000 ! spec=cnoesy, no=631, id=1268, vol=2.633116e+06 assign (segid " " and resid 29 and name HG2) (segid " " and resid 29 and name HG1) 2.168 0.588 0.588 weight 1.000 ! spec=cnoesy, no=644, id=1281, vol=3.805839e+06 assign (segid " " and resid 78 and name HD22) (segid " " and resid 78 and name HB2) 2.037 0.519 0.519 weight 1.000 ! spec=cnoesy, no=648, id=1285, vol=5.535417e+06 or (segid " " and resid 78 and name HD21) (segid " " and resid 78 and name HB2) or (segid " " and resid 78 and name HD23) (segid " " and resid 78 and name HB2) assign (segid " " and resid 81 and name HG) (segid " " and resid 81 and name HA) 2.628 0.863 0.863 weight 1.000 ! spec=cnoesy, no=654, id=1291, vol=1.200720e+06 assign (segid " " and resid 53 and name HG1) (segid " " and resid 53 and name HA) 2.829 1.000 1.000 weight 1.000 ! spec=cnoesy, no=659, id=1296, vol=7.718540e+05 assign (segid " " and resid 53 and name HG1) (segid " " and resid 53 and name HB2) 2.306 0.665 0.665 weight 1.000 ! spec=cnoesy, no=661, id=1298, vol=2.628457e+06 assign (segid " " and resid 82 and name HD22) (segid " " and resid 82 and name HB2) 1.882 0.443 0.443 weight 1.000 ! spec=cnoesy, no=663, id=1300, vol=8.887909e+06 or (segid " " and resid 82 and name HD21) (segid " " and resid 82 and name HB2) or (segid " " and resid 82 and name HD23) (segid " " and resid 82 and name HB2) assign (segid " " and resid 71 and name HG2) (segid " " and resid 71 and name HG1) 2.402 0.721 0.721 weight 1.000 ! spec=cnoesy, no=665, id=1302, vol=2.060692e+06 assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HB2) 2.663 0.887 0.887 weight 1.000 ! spec=cnoesy, no=666, id=1303, vol=1.107976e+06 assign (segid " " and resid 18 and name HB2) (segid " " and resid 18 and name HB1) 2.066 0.533 0.533 weight 1.000 ! spec=cnoesy, no=667, id=1304, vol=5.087078e+06 assign (segid " " and resid 18 and name HB2) (segid " " and resid 18 and name HA) 2.931 1.074 1.074 weight 1.000 ! spec=cnoesy, no=668, id=1305, vol=6.236394e+05 assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HB1) 2.743 0.941 0.941 weight 1.000 ! spec=cnoesy, no=669, id=1306, vol=9.276666e+05 assign (segid " " and resid 18 and name HB1) (segid " " and resid 18 and name HA) 2.664 0.887 0.887 weight 1.000 ! spec=cnoesy, no=670, id=1307, vol=1.105815e+06 assign (segid " " and resid 30 and name HA) (segid " " and resid 30 and name HB1) 2.522 0.795 0.795 weight 1.000 ! spec=cnoesy, no=674, id=1311, vol=1.535617e+06 assign (segid " " and resid 30 and name HB2) (segid " " and resid 30 and name HB1) 2.015 0.507 0.507 weight 1.000 ! spec=cnoesy, no=675, id=1312, vol=5.912002e+06 assign (segid " " and resid 18 and name HB1) (segid " " and resid 15 and name HA) 2.971 1.104 1.104 weight 1.000 ! spec=cnoesy, no=676, id=1313, vol=5.744020e+05 assign (segid " " and resid 84 and name HG2) (segid " " and resid 84 and name HA) 4.969 3.086 3.086 weight 1.000 ! spec=cnoesy, no=686, id=1323, vol=2.628000e+04 assign (segid " " and resid 32 and name HG1) (segid " " and resid 32 and name HA) 2.858 1.021 1.021 weight 1.000 ! spec=cnoesy, no=691, id=1327, vol=7.252538e+05 assign (segid " " and resid 40 and name HG2) (segid " " and resid 40 and name HA) 3.046 1.159 1.159 weight 1.000 ! spec=cnoesy, no=695, id=1330, vol=4.954930e+05 assign (segid " " and resid 40 and name HN) (segid " " and resid 40 and name HG1) 4.992 3.115 3.115 weight 1.000 ! spec=cnoesy, no=696, id=1331, vol=2.555000e+04 assign (segid " " and resid 40 and name HG1) (segid " " and resid 40 and name HA) 2.903 1.054 1.054 weight 1.000 ! spec=cnoesy, no=697, id=1332, vol=6.602006e+05 assign (segid " " and resid 21 and name HG1) (segid " " and resid 21 and name HA) 3.218 1.295 1.295 weight 1.000 ! spec=cnoesy, no=698, id=1333, vol=3.558284e+05 assign (segid " " and resid 21 and name HG1) (segid " " and resid 21 and name HG2) 2.043 0.522 0.522 weight 1.000 ! spec=cnoesy, no=699, id=1334, vol=5.438323e+06 assign (segid " " and resid 76 and name HN) (segid " " and resid 76 and name HG22) 2.212 0.612 0.612 weight 1.000 ! spec=cnoesy, no=700, id=1335, vol=3.371402e+06 or (segid " " and resid 76 and name HN) (segid " " and resid 76 and name HG21) or (segid " " and resid 76 and name HN) (segid " " and resid 76 and name HG23) assign (segid " " and resid 76 and name HG22) (segid " " and resid 77 and name HN) 2.863 1.024 1.024 weight 1.000 ! spec=cnoesy, no=701, id=1336, vol=7.182164e+05 or (segid " " and resid 76 and name HG21) (segid " " and resid 77 and name HN) or (segid " " and resid 76 and name HG23) (segid " " and resid 77 and name HN) assign (segid " " and resid 76 and name HA) (segid " " and resid 76 and name HG22) 2.265 0.641 0.641 weight 1.000 ! spec=cnoesy, no=703, id=1337, vol=2.927881e+06 or (segid " " and resid 76 and name HA) (segid " " and resid 76 and name HG21) or (segid " " and resid 76 and name HA) (segid " " and resid 76 and name HG23) assign (segid " " and resid 76 and name HB) (segid " " and resid 76 and name HG22) 2.130 0.567 0.567 weight 1.000 ! spec=cnoesy, no=704, id=1338, vol=4.237317e+06 or (segid " " and resid 76 and name HB) (segid " " and resid 76 and name HG21) or (segid " " and resid 76 and name HB) (segid " " and resid 76 and name HG23) assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HG22) 2.797 0.978 0.978 weight 1.000 ! spec=cnoesy, no=708, id=1341, vol=8.262966e+05 or (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HG21) or (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HG23) assign (segid " " and resid 47 and name HN) (segid " " and resid 46 and name HG12) 2.394 0.717 0.717 weight 1.000 ! spec=cnoesy, no=715, id=1348, vol=2.098753e+06 or (segid " " and resid 47 and name HN) (segid " " and resid 46 and name HG11) or (segid " " and resid 47 and name HN) (segid " " and resid 46 and name HG13) assign (segid " " and resid 46 and name HB) (segid " " and resid 46 and name HG12) 1.978 0.489 0.489 weight 1.000 ! spec=cnoesy, no=716, id=1349, vol=6.597142e+06 or (segid " " and resid 46 and name HB) (segid " " and resid 46 and name HG11) or (segid " " and resid 46 and name HB) (segid " " and resid 46 and name HG13) assign (segid " " and resid 78 and name HD22) (segid " " and resid 46 and name HG12) 2.108 0.555 0.555 weight 1.000 ! spec=cnoesy, no=717, id=1350, vol=4.506106e+06 or (segid " " and resid 78 and name HD22) (segid " " and resid 46 and name HG11) or (segid " " and resid 78 and name HD22) (segid " " and resid 46 and name HG13) or (segid " " and resid 78 and name HD21) (segid " " and resid 46 and name HG12) or (segid " " and resid 78 and name HD21) (segid " " and resid 46 and name HG11) or (segid " " and resid 78 and name HD21) (segid " " and resid 46 and name HG13) or (segid " " and resid 78 and name HD23) (segid " " and resid 46 and name HG12) or (segid " " and resid 78 and name HD23) (segid " " and resid 46 and name HG11) or (segid " " and resid 78 and name HD23) (segid " " and resid 46 and name HG13) assign (segid " " and resid 46 and name HG12) (segid " " and resid 46 and name HG22) 2.101 0.552 0.552 weight 1.000 ! spec=cnoesy, no=718, id=1351, vol=4.596755e+06 or (segid " " and resid 46 and name HG12) (segid " " and resid 46 and name HG21) or (segid " " and resid 46 and name HG12) (segid " " and resid 46 and name HG23) or (segid " " and resid 46 and name HG11) (segid " " and resid 46 and name HG22) or (segid " " and resid 46 and name HG11) (segid " " and resid 46 and name HG21) or (segid " " and resid 46 and name HG11) (segid " " and resid 46 and name HG23) or (segid " " and resid 46 and name HG13) (segid " " and resid 46 and name HG22) or (segid " " and resid 46 and name HG13) (segid " " and resid 46 and name HG21) or (segid " " and resid 46 and name HG13) (segid " " and resid 46 and name HG23) assign (segid " " and resid 82 and name HD12) (segid " " and resid 23 and name HH2) 2.606 0.849 0.849 weight 1.000 ! spec=cnoesy, no=720, id=1353, vol=1.261170e+06 or (segid " " and resid 82 and name HD11) (segid " " and resid 23 and name HH2) or (segid " " and resid 82 and name HD13) (segid " " and resid 23 and name HH2) assign (segid " " and resid 48 and name HG12) (segid " " and resid 48 and name HA) 2.606 0.849 0.849 weight 1.000 ! spec=cnoesy, no=725, id=1358, vol=1.263383e+06 or (segid " " and resid 48 and name HG11) (segid " " and resid 48 and name HA) or (segid " " and resid 48 and name HG13) (segid " " and resid 48 and name HA) assign (segid " " and resid 48 and name HG12) (segid " " and resid 56 and name HG21) 2.583 0.834 0.834 weight 1.000 ! spec=cnoesy, no=726, id=1359, vol=1.331069e+06 or (segid " " and resid 48 and name HG12) (segid " " and resid 56 and name HG22) or (segid " " and resid 48 and name HG12) (segid " " and resid 56 and name HG23) or (segid " " and resid 48 and name HG11) (segid " " and resid 56 and name HG21) or (segid " " and resid 48 and name HG11) (segid " " and resid 56 and name HG22) or (segid " " and resid 48 and name HG11) (segid " " and resid 56 and name HG23) or (segid " " and resid 48 and name HG13) (segid " " and resid 56 and name HG21) or (segid " " and resid 48 and name HG13) (segid " " and resid 56 and name HG22) or (segid " " and resid 48 and name HG13) (segid " " and resid 56 and name HG23) assign (segid " " and resid 48 and name HG12) (segid " " and resid 50 and name HG21) 2.255 0.635 0.635 weight 1.000 ! spec=cnoesy, no=728, id=1360, vol=3.009635e+06 or (segid " " and resid 48 and name HG12) (segid " " and resid 50 and name HG22) or (segid " " and resid 48 and name HG12) (segid " " and resid 50 and name HG23) or (segid " " and resid 48 and name HG11) (segid " " and resid 50 and name HG21) or (segid " " and resid 48 and name HG11) (segid " " and resid 50 and name HG22) or (segid " " and resid 48 and name HG11) (segid " " and resid 50 and name HG23) or (segid " " and resid 48 and name HG13) (segid " " and resid 50 and name HG21) or (segid " " and resid 48 and name HG13) (segid " " and resid 50 and name HG22) or (segid " " and resid 48 and name HG13) (segid " " and resid 50 and name HG23) assign (segid " " and resid 46 and name HG12) (segid " " and resid 28 and name HE1) 2.741 0.939 0.939 weight 1.000 ! spec=cnoesy, no=729, id=1361, vol=9.332242e+05 or (segid " " and resid 46 and name HG11) (segid " " and resid 28 and name HE1) or (segid " " and resid 46 and name HG13) (segid " " and resid 28 and name HE1) assign (segid " " and resid 56 and name HG21) (segid " " and resid 48 and name HB) 2.463 0.758 0.758 weight 1.000 ! spec=cnoesy, no=731, id=1363, vol=1.771954e+06 or (segid " " and resid 56 and name HG22) (segid " " and resid 48 and name HB) or (segid " " and resid 56 and name HG23) (segid " " and resid 48 and name HB) assign (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HG21) 2.810 0.987 0.987 weight 1.000 ! spec=cnoesy, no=732, id=1364, vol=8.033518e+05 or (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HG22) or (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HG23) assign (segid " " and resid 43 and name HG21) (segid " " and resid 61 and name HN) 2.946 1.085 1.085 weight 1.000 ! spec=cnoesy, no=733, id=1365, vol=6.052753e+05 or (segid " " and resid 43 and name HG22) (segid " " and resid 61 and name HN) or (segid " " and resid 43 and name HG23) (segid " " and resid 61 and name HN) assign (segid " " and resid 43 and name HB) (segid " " and resid 43 and name HG21) 2.177 0.592 0.592 weight 1.000 ! spec=cnoesy, no=735, id=1367, vol=3.716499e+06 or (segid " " and resid 43 and name HB) (segid " " and resid 43 and name HG22) or (segid " " and resid 43 and name HB) (segid " " and resid 43 and name HG23) assign (segid " " and resid 49 and name HN) (segid " " and resid 48 and name HG12) 2.708 0.917 0.917 weight 1.000 ! spec=cnoesy, no=737, id=1369, vol=1.002350e+06 or (segid " " and resid 49 and name HN) (segid " " and resid 48 and name HG11) or (segid " " and resid 49 and name HN) (segid " " and resid 48 and name HG13) assign (segid " " and resid 48 and name HG12) (segid " " and resid 23 and name HE3) 2.389 0.714 0.714 weight 1.000 ! spec=cnoesy, no=738, id=1370, vol=2.124023e+06 or (segid " " and resid 48 and name HG11) (segid " " and resid 23 and name HE3) or (segid " " and resid 48 and name HG13) (segid " " and resid 23 and name HE3) assign (segid " " and resid 50 and name HN) (segid " " and resid 48 and name HG12) 2.711 0.919 0.919 weight 1.000 ! spec=cnoesy, no=739, id=1371, vol=9.948422e+05 or (segid " " and resid 50 and name HN) (segid " " and resid 48 and name HG11) or (segid " " and resid 50 and name HN) (segid " " and resid 48 and name HG13) assign (segid " " and resid 67 and name HG12) (segid " " and resid 67 and name HB) 2.165 0.586 0.586 weight 1.000 ! spec=cnoesy, no=743, id=1375, vol=3.837578e+06 or (segid " " and resid 67 and name HG11) (segid " " and resid 67 and name HB) or (segid " " and resid 67 and name HG13) (segid " " and resid 67 and name HB) assign (segid " " and resid 56 and name HB) (segid " " and resid 56 and name HG21) 2.169 0.588 0.588 weight 1.000 ! spec=cnoesy, no=746, id=1378, vol=3.797036e+06 or (segid " " and resid 56 and name HB) (segid " " and resid 56 and name HG22) or (segid " " and resid 56 and name HB) (segid " " and resid 56 and name HG23) assign (segid " " and resid 56 and name HG21) (segid " " and resid 50 and name HG21) 2.165 0.586 0.586 weight 1.000 ! spec=cnoesy, no=749, id=1381, vol=3.843646e+06 or (segid " " and resid 56 and name HG21) (segid " " and resid 50 and name HG22) or (segid " " and resid 56 and name HG21) (segid " " and resid 50 and name HG23) or (segid " " and resid 56 and name HG22) (segid " " and resid 50 and name HG21) or (segid " " and resid 56 and name HG22) (segid " " and resid 50 and name HG22) or (segid " " and resid 56 and name HG22) (segid " " and resid 50 and name HG23) or (segid " " and resid 56 and name HG23) (segid " " and resid 50 and name HG21) or (segid " " and resid 56 and name HG23) (segid " " and resid 50 and name HG22) or (segid " " and resid 56 and name HG23) (segid " " and resid 50 and name HG23) assign (segid " " and resid 31 and name HN) (segid " " and resid 31 and name HG12) 2.419 0.732 0.732 weight 1.000 ! spec=cnoesy, no=752, id=1383, vol=1.971147e+06 or (segid " " and resid 31 and name HN) (segid " " and resid 31 and name HG11) or (segid " " and resid 31 and name HN) (segid " " and resid 31 and name HG13) assign (segid " " and resid 31 and name HG12) (segid " " and resid 30 and name HA) 2.871 1.030 1.030 weight 1.000 ! spec=cnoesy, no=755, id=1385, vol=7.067086e+05 or (segid " " and resid 31 and name HG11) (segid " " and resid 30 and name HA) or (segid " " and resid 31 and name HG13) (segid " " and resid 30 and name HA) assign (segid " " and resid 31 and name HB) (segid " " and resid 31 and name HG12) 2.013 0.506 0.506 weight 1.000 ! spec=cnoesy, no=756, id=1386, vol=5.946988e+06 or (segid " " and resid 31 and name HB) (segid " " and resid 31 and name HG11) or (segid " " and resid 31 and name HB) (segid " " and resid 31 and name HG13) assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HG21) 2.220 0.616 0.616 weight 1.000 ! spec=cnoesy, no=758, id=1388, vol=3.298894e+06 or (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HG22) or (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HG23) assign (segid " " and resid 70 and name HN) (segid " " and resid 70 and name HB2) 2.243 0.629 0.629 weight 1.000 ! spec=cnoesy, no=764, id=1394, vol=3.107940e+06 or (segid " " and resid 70 and name HN) (segid " " and resid 70 and name HB1) or (segid " " and resid 70 and name HN) (segid " " and resid 70 and name HB3) assign (segid " " and resid 70 and name HB2) (segid " " and resid 42 and name HB2) 2.479 0.768 0.768 weight 1.000 ! spec=cnoesy, no=767, id=1396, vol=1.702957e+06 or (segid " " and resid 70 and name HB1) (segid " " and resid 42 and name HB2) or (segid " " and resid 70 and name HB3) (segid " " and resid 42 and name HB2) assign (segid " " and resid 67 and name HA) (segid " " and resid 70 and name HB2) 2.105 0.554 0.554 weight 1.000 ! spec=cnoesy, no=768, id=1397, vol=4.539845e+06 or (segid " " and resid 67 and name HA) (segid " " and resid 70 and name HB1) or (segid " " and resid 67 and name HA) (segid " " and resid 70 and name HB3) assign (segid " " and resid 44 and name HN) (segid " " and resid 70 and name HB2) 3.060 1.170 1.170 weight 1.000 ! spec=cnoesy, no=769, id=1398, vol=4.819171e+05 or (segid " " and resid 44 and name HN) (segid " " and resid 70 and name HB1) or (segid " " and resid 44 and name HN) (segid " " and resid 70 and name HB3) assign (segid " " and resid 31 and name HG22) (segid " " and resid 32 and name HN) 3.064 1.174 1.174 weight 1.000 ! spec=cnoesy, no=770, id=1399, vol=4.775922e+05 or (segid " " and resid 31 and name HG21) (segid " " and resid 32 and name HN) or (segid " " and resid 31 and name HG23) (segid " " and resid 32 and name HN) assign (segid " " and resid 64 and name HE2) (segid " " and resid 64 and name HA) 2.900 1.051 1.051 weight 1.000 ! spec=cnoesy, no=784, id=1410, vol=6.649515e+05 or (segid " " and resid 64 and name HE1) (segid " " and resid 64 and name HA) or (segid " " and resid 64 and name HE3) (segid " " and resid 64 and name HA) assign (segid " " and resid 64 and name HE2) (segid " " and resid 73 and name HB2) 2.310 0.667 0.667 weight 1.000 ! spec=cnoesy, no=786, id=1412, vol=2.602242e+06 or (segid " " and resid 64 and name HE2) (segid " " and resid 73 and name HB1) or (segid " " and resid 64 and name HE1) (segid " " and resid 73 and name HB2) or (segid " " and resid 64 and name HE1) (segid " " and resid 73 and name HB1) or (segid " " and resid 64 and name HE3) (segid " " and resid 73 and name HB2) or (segid " " and resid 64 and name HE3) (segid " " and resid 73 and name HB1) assign (segid " " and resid 64 and name HE2) (segid " " and resid 64 and name HG2) 2.357 0.695 0.695 weight 1.000 ! spec=cnoesy, no=787, id=1413, vol=2.303069e+06 or (segid " " and resid 64 and name HE1) (segid " " and resid 64 and name HG2) or (segid " " and resid 64 and name HE3) (segid " " and resid 64 and name HG2) assign (segid " " and resid 25 and name HE2) (segid " " and resid 25 and name HG1) 2.386 0.711 0.711 weight 1.000 ! spec=cnoesy, no=788, id=1414, vol=2.144067e+06 or (segid " " and resid 25 and name HE1) (segid " " and resid 25 and name HG1) or (segid " " and resid 25 and name HE3) (segid " " and resid 25 and name HG1) assign (segid " " and resid 64 and name HE2) (segid " " and resid 65 and name HD1) 3.086 1.190 1.190 weight 1.000 ! spec=cnoesy, no=792, id=1418, vol=4.581013e+05 or (segid " " and resid 64 and name HE1) (segid " " and resid 65 and name HD1) or (segid " " and resid 64 and name HE3) (segid " " and resid 65 and name HD1) assign (segid " " and resid 25 and name HE2) (segid " " and resid 25 and name HA) 2.996 1.122 1.122 weight 1.000 ! spec=cnoesy, no=795, id=1421, vol=5.467527e+05 or (segid " " and resid 25 and name HE1) (segid " " and resid 25 and name HA) or (segid " " and resid 25 and name HE3) (segid " " and resid 25 and name HA) assign (segid " " and resid 25 and name HE2) (segid " " and resid 18 and name HB2) 3.396 1.442 1.442 weight 1.000 ! spec=cnoesy, no=796, id=1422, vol=2.575630e+05 or (segid " " and resid 25 and name HE1) (segid " " and resid 18 and name HB2) or (segid " " and resid 25 and name HE3) (segid " " and resid 18 and name HB2) assign (segid " " and resid 25 and name HE2) (segid " " and resid 19 and name HB1) 2.245 0.630 0.630 weight 1.000 ! spec=cnoesy, no=798, id=1424, vol=3.090527e+06 or (segid " " and resid 25 and name HE1) (segid " " and resid 19 and name HB1) or (segid " " and resid 25 and name HE3) (segid " " and resid 19 and name HB1) assign (segid " " and resid 25 and name HE2) (segid " " and resid 19 and name HD12) 2.188 0.598 0.598 weight 1.000 ! spec=cnoesy, no=799, id=1425, vol=3.605925e+06 or (segid " " and resid 25 and name HE2) (segid " " and resid 19 and name HD11) or (segid " " and resid 25 and name HE2) (segid " " and resid 19 and name HD13) or (segid " " and resid 25 and name HE1) (segid " " and resid 19 and name HD12) or (segid " " and resid 25 and name HE1) (segid " " and resid 19 and name HD11) or (segid " " and resid 25 and name HE1) (segid " " and resid 19 and name HD13) or (segid " " and resid 25 and name HE3) (segid " " and resid 19 and name HD12) or (segid " " and resid 25 and name HE3) (segid " " and resid 19 and name HD11) or (segid " " and resid 25 and name HE3) (segid " " and resid 19 and name HD13) assign (segid " " and resid 75 and name HB2) (segid " " and resid 72 and name HA) 2.472 0.764 0.764 weight 1.000 ! spec=cnoesy, no=801, id=1427, vol=1.731559e+06 or (segid " " and resid 75 and name HB1) (segid " " and resid 72 and name HA) or (segid " " and resid 75 and name HB3) (segid " " and resid 72 and name HA) assign (segid " " and resid 75 and name HB2) (segid " " and resid 75 and name HA) 2.189 0.599 0.599 weight 1.000 ! spec=cnoesy, no=802, id=1428, vol=3.592254e+06 or (segid " " and resid 75 and name HB1) (segid " " and resid 75 and name HA) or (segid " " and resid 75 and name HB3) (segid " " and resid 75 and name HA) assign (segid " " and resid 37 and name HN) (segid " " and resid 37 and name HB2) 3.164 1.251 1.251 weight 1.000 ! spec=cnoesy, no=805, id=1431, vol=3.943560e+05 or (segid " " and resid 37 and name HN) (segid " " and resid 37 and name HB1) or (segid " " and resid 37 and name HN) (segid " " and resid 37 and name HB3) assign (segid " " and resid 74 and name HB2) (segid " " and resid 75 and name HN) 2.196 0.603 0.603 weight 1.000 ! spec=cnoesy, no=808, id=1434, vol=3.520552e+06 or (segid " " and resid 74 and name HB1) (segid " " and resid 75 and name HN) or (segid " " and resid 74 and name HB3) (segid " " and resid 75 and name HN) assign (segid " " and resid 74 and name HN) (segid " " and resid 74 and name HB2) 2.297 0.660 0.660 weight 1.000 ! spec=cnoesy, no=809, id=1435, vol=2.688343e+06 or (segid " " and resid 74 and name HN) (segid " " and resid 74 and name HB1) or (segid " " and resid 74 and name HN) (segid " " and resid 74 and name HB3) assign (segid " " and resid 74 and name HB2) (segid " " and resid 28 and name HD1) 3.158 1.247 1.247 weight 1.000 ! spec=cnoesy, no=810, id=1436, vol=3.986233e+05 or (segid " " and resid 74 and name HB1) (segid " " and resid 28 and name HD1) or (segid " " and resid 74 and name HB3) (segid " " and resid 28 and name HD1) assign (segid " " and resid 74 and name HB2) (segid " " and resid 28 and name HE1) 3.015 1.136 1.136 weight 1.000 ! spec=cnoesy, no=811, id=1437, vol=5.261756e+05 or (segid " " and resid 74 and name HB1) (segid " " and resid 28 and name HE1) or (segid " " and resid 74 and name HB3) (segid " " and resid 28 and name HE1) assign (segid " " and resid 74 and name HB2) (segid " " and resid 45 and name HA2) 3.008 1.131 1.131 weight 1.000 ! spec=cnoesy, no=812, id=1438, vol=5.341508e+05 or (segid " " and resid 74 and name HB1) (segid " " and resid 45 and name HA2) or (segid " " and resid 74 and name HB3) (segid " " and resid 45 and name HA2) assign (segid " " and resid 74 and name HB2) (segid " " and resid 60 and name HA) 3.040 1.155 1.155 weight 1.000 ! spec=cnoesy, no=813, id=1439, vol=5.013362e+05 or (segid " " and resid 74 and name HB1) (segid " " and resid 60 and name HA) or (segid " " and resid 74 and name HB3) (segid " " and resid 60 and name HA) assign (segid " " and resid 74 and name HB2) (segid " " and resid 46 and name HG22) 2.123 0.564 0.564 weight 1.000 ! spec=cnoesy, no=816, id=1442, vol=4.314159e+06 or (segid " " and resid 74 and name HB2) (segid " " and resid 46 and name HG21) or (segid " " and resid 74 and name HB2) (segid " " and resid 46 and name HG23) or (segid " " and resid 74 and name HB1) (segid " " and resid 46 and name HG22) or (segid " " and resid 74 and name HB1) (segid " " and resid 46 and name HG21) or (segid " " and resid 74 and name HB1) (segid " " and resid 46 and name HG23) or (segid " " and resid 74 and name HB3) (segid " " and resid 46 and name HG22) or (segid " " and resid 74 and name HB3) (segid " " and resid 46 and name HG21) or (segid " " and resid 74 and name HB3) (segid " " and resid 46 and name HG23) assign (segid " " and resid 61 and name HN) (segid " " and resid 60 and name HG22) 2.489 0.775 0.775 weight 1.000 ! spec=cnoesy, no=817, id=1443, vol=1.661795e+06 or (segid " " and resid 61 and name HN) (segid " " and resid 60 and name HG21) or (segid " " and resid 61 and name HN) (segid " " and resid 60 and name HG23) assign (segid " " and resid 60 and name HB) (segid " " and resid 60 and name HG22) 2.053 0.527 0.527 weight 1.000 ! spec=cnoesy, no=822, id=1448, vol=5.279092e+06 or (segid " " and resid 60 and name HB) (segid " " and resid 60 and name HG21) or (segid " " and resid 60 and name HB) (segid " " and resid 60 and name HG23) assign (segid " " and resid 60 and name HG22) (segid " " and resid 60 and name HG12) 2.458 0.755 0.755 weight 1.000 ! spec=cnoesy, no=823, id=1449, vol=1.791196e+06 or (segid " " and resid 60 and name HG21) (segid " " and resid 60 and name HG12) or (segid " " and resid 60 and name HG23) (segid " " and resid 60 and name HG12) assign (segid " " and resid 36 and name HD2) (segid " " and resid 39 and name HB2) 2.504 0.784 0.784 weight 1.000 ! spec=cnoesy, no=825, id=1451, vol=1.605155e+06 or (segid " " and resid 36 and name HD2) (segid " " and resid 39 and name HB1) or (segid " " and resid 36 and name HD2) (segid " " and resid 39 and name HB3) or (segid " " and resid 36 and name HD1) (segid " " and resid 39 and name HB2) or (segid " " and resid 36 and name HD1) (segid " " and resid 39 and name HB1) or (segid " " and resid 36 and name HD1) (segid " " and resid 39 and name HB3) assign (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HD12) 2.924 1.068 1.068 weight 1.000 ! spec=cnoesy, no=826, id=1452, vol=6.330504e+05 or (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HD11) or (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HD13) assign (segid " " and resid 60 and name HD12) (segid " " and resid 60 and name HA) 2.970 1.103 1.103 weight 1.000 ! spec=cnoesy, no=827, id=1453, vol=5.755418e+05 or (segid " " and resid 60 and name HD11) (segid " " and resid 60 and name HA) or (segid " " and resid 60 and name HD13) (segid " " and resid 60 and name HA) assign (segid " " and resid 60 and name HB) (segid " " and resid 60 and name HD12) 2.327 0.677 0.677 weight 1.000 ! spec=cnoesy, no=829, id=1455, vol=2.489668e+06 or (segid " " and resid 60 and name HB) (segid " " and resid 60 and name HD11) or (segid " " and resid 60 and name HB) (segid " " and resid 60 and name HD13) assign (segid " " and resid 26 and name HD2) (segid " " and resid 26 and name HG2) 2.505 0.785 0.785 weight 1.000 ! spec=cnoesy, no=834, id=1459, vol=1.598254e+06 assign (segid " " and resid 26 and name HD2) (segid " " and resid 25 and name HA) 2.371 0.703 0.703 weight 1.000 ! spec=cnoesy, no=836, id=1461, vol=2.226373e+06 assign (segid " " and resid 63 and name HD2) (segid " " and resid 63 and name HB2) 2.315 0.670 0.670 weight 1.000 ! spec=cnoesy, no=838, id=1463, vol=2.567442e+06 assign (segid " " and resid 56 and name HN) (segid " " and resid 55 and name HA) 2.175 0.591 0.591 weight 1.000 ! spec=cnoesy, no=842, id=1464, vol=3.734074e+06 assign (segid " " and resid 55 and name HB1) (segid " " and resid 55 and name HA) 2.647 0.876 0.876 weight 1.000 ! spec=cnoesy, no=843, id=1465, vol=1.148280e+06 assign (segid " " and resid 49 and name HN) (segid " " and resid 49 and name HA) 3.059 1.170 1.170 weight 1.000 ! spec=cnoesy, no=848, id=1469, vol=4.822198e+05 assign (segid " " and resid 60 and name HD12) (segid " " and resid 45 and name HA2) 2.798 0.979 0.979 weight 1.000 ! spec=cnoesy, no=850, id=1471, vol=8.231810e+05 or (segid " " and resid 60 and name HD11) (segid " " and resid 45 and name HA2) or (segid " " and resid 60 and name HD13) (segid " " and resid 45 and name HA2) assign (segid " " and resid 47 and name HB2) (segid " " and resid 55 and name HE3) 3.007 1.130 1.130 weight 1.000 ! spec=cnoesy, no=851, id=1472, vol=5.350263e+05 assign (segid " " and resid 26 and name HB2) (segid " " and resid 48 and name HG22) 2.816 0.991 0.991 weight 1.000 ! spec=cnoesy, no=852, id=1473, vol=7.930955e+05 or (segid " " and resid 26 and name HB2) (segid " " and resid 48 and name HG21) or (segid " " and resid 26 and name HB2) (segid " " and resid 48 and name HG23) assign (segid " " and resid 31 and name HN) (segid " " and resid 43 and name HB) 3.808 1.812 1.812 weight 1.000 ! spec=nnoesy, no=2, id=1, vol=1.287000e+05 assign (segid " " and resid 31 and name HN) (segid " " and resid 30 and name HB1) 3.749 1.756 1.756 weight 1.000 ! spec=nnoesy, no=5, id=4, vol=1.414000e+05 assign (segid " " and resid 31 and name HN) (segid " " and resid 31 and name HB) 2.751 0.946 0.946 weight 1.000 ! spec=nnoesy, no=6, id=5, vol=9.055000e+05 assign (segid " " and resid 44 and name HN) (segid " " and resid 44 and name HA) 3.365 1.415 1.415 weight 1.000 ! spec=nnoesy, no=8, id=7, vol=2.702000e+05 assign (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HA) 2.651 0.879 0.879 weight 1.000 ! spec=nnoesy, no=9, id=8, vol=1.130000e+06 assign (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HB) 3.680 1.693 1.693 weight 1.000 ! spec=nnoesy, no=10, id=9, vol=1.579000e+05 assign (segid " " and resid 44 and name HN) (segid " " and resid 74 and name HB2) 3.421 1.463 1.463 weight 1.000 ! spec=nnoesy, no=13, id=12, vol=2.446000e+05 or (segid " " and resid 44 and name HN) (segid " " and resid 74 and name HB1) or (segid " " and resid 44 and name HN) (segid " " and resid 74 and name HB3) assign (segid " " and resid 55 and name HE1) (segid " " and resid 55 and name HZ2) 2.497 0.779 0.779 weight 1.000 ! spec=nnoesy, no=15, id=14, vol=1.618000e+06 assign (segid " " and resid 55 and name HE1) (segid " " and resid 55 and name HD1) 2.482 0.770 0.770 weight 1.000 ! spec=nnoesy, no=16, id=15, vol=1.680000e+06 assign (segid " " and resid 55 and name HE1) (segid " " and resid 55 and name HB1) 3.783 1.789 1.789 weight 1.000 ! spec=nnoesy, no=18, id=17, vol=1.339000e+05 assign (segid " " and resid 39 and name HN) (segid " " and resid 38 and name HA) 3.507 1.538 1.538 weight 1.000 ! spec=nnoesy, no=19, id=18, vol=2.107000e+05 assign (segid " " and resid 39 and name HN) (segid " " and resid 39 and name HB2) 3.086 1.191 1.191 weight 1.000 ! spec=nnoesy, no=21, id=20, vol=4.540000e+05 or (segid " " and resid 39 and name HN) (segid " " and resid 39 and name HB1) or (segid " " and resid 39 and name HN) (segid " " and resid 39 and name HB3) assign (segid " " and resid 49 and name HN) (segid " " and resid 50 and name HN) 3.466 1.502 1.502 weight 1.000 ! spec=nnoesy, no=23, id=21, vol=2.262000e+05 assign (segid " " and resid 49 and name HN) (segid " " and resid 55 and name HZ3) 3.533 1.560 1.560 weight 1.000 ! spec=nnoesy, no=24, id=22, vol=2.018000e+05 assign (segid " " and resid 49 and name HN) (segid " " and resid 48 and name HA) 2.417 0.730 0.730 weight 1.000 ! spec=nnoesy, no=25, id=23, vol=1.968000e+06 assign (segid " " and resid 49 and name HN) (segid " " and resid 49 and name HB2) 2.672 0.893 0.893 weight 1.000 ! spec=nnoesy, no=27, id=25, vol=1.077000e+06 assign (segid " " and resid 49 and name HN) (segid " " and resid 48 and name HB) 3.062 1.172 1.172 weight 1.000 ! spec=nnoesy, no=28, id=26, vol=4.760000e+05 assign (segid " " and resid 49 and name HN) (segid " " and resid 49 and name HB1) 2.839 1.007 1.007 weight 1.000 ! spec=nnoesy, no=30, id=28, vol=7.500000e+05 assign (segid " " and resid 59 and name HN) (segid " " and resid 45 and name HA2) 3.855 1.857 1.857 weight 1.000 ! spec=nnoesy, no=31, id=29, vol=1.196000e+05 assign (segid " " and resid 59 and name HN) (segid " " and resid 58 and name HA) 2.352 0.692 0.692 weight 1.000 ! spec=nnoesy, no=32, id=30, vol=2.315000e+06 assign (segid " " and resid 59 and name HN) (segid " " and resid 58 and name HB2) 3.075 1.182 1.182 weight 1.000 ! spec=nnoesy, no=34, id=32, vol=4.645000e+05 assign (segid " " and resid 59 and name HN) (segid " " and resid 58 and name HG2) 2.559 0.819 0.819 weight 1.000 ! spec=nnoesy, no=35, id=33, vol=1.397000e+06 or (segid " " and resid 59 and name HN) (segid " " and resid 58 and name HG1) assign (segid " " and resid 59 and name HN) (segid " " and resid 58 and name HB1) 2.940 1.080 1.080 weight 1.000 ! spec=nnoesy, no=36, id=34, vol=6.076000e+05 assign (segid " " and resid 59 and name HN) (segid " " and resid 78 and name HD22) 3.185 1.268 1.268 weight 1.000 ! spec=nnoesy, no=37, id=35, vol=3.755000e+05 or (segid " " and resid 59 and name HN) (segid " " and resid 78 and name HD21) or (segid " " and resid 59 and name HN) (segid " " and resid 78 and name HD23) or (segid " " and resid 59 and name HN) (segid " " and resid 78 and name HD12) or (segid " " and resid 59 and name HN) (segid " " and resid 78 and name HD11) or (segid " " and resid 59 and name HN) (segid " " and resid 78 and name HD13) assign (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HA) 2.323 0.674 0.674 weight 1.000 ! spec=nnoesy, no=39, id=37, vol=2.499000e+06 assign (segid " " and resid 60 and name HN) (segid " " and resid 58 and name HB2) 4.050 2.050 2.050 weight 1.000 ! spec=nnoesy, no=41, id=39, vol=8.891000e+04 assign (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HG12) 2.824 0.997 0.997 weight 1.000 ! spec=nnoesy, no=43, id=41, vol=7.743000e+05 assign (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HG22) 2.686 0.902 0.902 weight 1.000 ! spec=nnoesy, no=44, id=42, vol=1.045000e+06 or (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HG21) or (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HG23) assign (segid " " and resid 60 and name HN) (segid " " and resid 45 and name HA2) 4.115 2.117 2.117 weight 1.000 ! spec=nnoesy, no=46, id=44, vol=8.078000e+04 assign (segid " " and resid 59 and name HN) (segid " " and resid 59 and name HA) 2.911 1.059 1.059 weight 1.000 ! spec=nnoesy, no=47, id=45, vol=6.450000e+05 assign (segid " " and resid 33 and name HN) (segid " " and resid 32 and name HB1) 2.964 1.098 1.098 weight 1.000 ! spec=nnoesy, no=50, id=48, vol=5.785000e+05 assign (segid " " and resid 33 and name HN) (segid " " and resid 32 and name HG2) 3.137 1.230 1.230 weight 1.000 ! spec=nnoesy, no=51, id=49, vol=4.120000e+05 assign (segid " " and resid 33 and name HN) (segid " " and resid 32 and name HG1) 3.141 1.233 1.233 weight 1.000 ! spec=nnoesy, no=52, id=50, vol=4.083000e+05 assign (segid " " and resid 23 and name HE1) (segid " " and resid 52 and name HN) 3.740 1.749 1.749 weight 1.000 ! spec=nnoesy, no=53, id=51, vol=1.433000e+05 assign (segid " " and resid 23 and name HE1) (segid " " and resid 23 and name HZ2) 2.789 0.972 0.972 weight 1.000 ! spec=nnoesy, no=54, id=52, vol=8.336000e+05 assign (segid " " and resid 23 and name HE1) (segid " " and resid 23 and name HD1) 2.665 0.888 0.888 weight 1.000 ! spec=nnoesy, no=55, id=53, vol=1.094000e+06 assign (segid " " and resid 23 and name HE1) (segid " " and resid 51 and name HN) 2.435 0.741 0.741 weight 1.000 ! spec=nnoesy, no=56, id=54, vol=1.882000e+06 assign (segid " " and resid 23 and name HE1) (segid " " and resid 23 and name HA) 3.529 1.557 1.557 weight 1.000 ! spec=nnoesy, no=57, id=55, vol=2.030000e+05 assign (segid " " and resid 23 and name HE1) (segid " " and resid 50 and name HB) 3.215 1.292 1.292 weight 1.000 ! spec=nnoesy, no=60, id=58, vol=3.554000e+05 assign (segid " " and resid 28 and name HN) (segid " " and resid 46 and name HA) 3.800 1.805 1.805 weight 1.000 ! spec=nnoesy, no=65, id=63, vol=1.303000e+05 assign (segid " " and resid 28 and name HN) (segid " " and resid 27 and name HA) 2.169 0.588 0.588 weight 1.000 ! spec=nnoesy, no=66, id=64, vol=3.770000e+06 assign (segid " " and resid 28 and name HN) (segid " " and resid 46 and name HG12) 3.781 1.787 1.787 weight 1.000 ! spec=nnoesy, no=69, id=67, vol=1.342000e+05 or (segid " " and resid 28 and name HN) (segid " " and resid 46 and name HG11) or (segid " " and resid 28 and name HN) (segid " " and resid 46 and name HG13) assign (segid " " and resid 67 and name HN) (segid " " and resid 67 and name HA) 4.004 2.004 2.004 weight 1.000 ! spec=nnoesy, no=70, id=68, vol=9.524000e+04 assign (segid " " and resid 67 and name HN) (segid " " and resid 66 and name HA) 3.173 1.259 1.259 weight 1.000 ! spec=nnoesy, no=71, id=69, vol=3.841000e+05 assign (segid " " and resid 67 and name HN) (segid " " and resid 67 and name HB) 3.330 1.386 1.386 weight 1.000 ! spec=nnoesy, no=72, id=70, vol=2.878000e+05 assign (segid " " and resid 67 and name HN) (segid " " and resid 67 and name HG12) 3.143 1.235 1.235 weight 1.000 ! spec=nnoesy, no=73, id=71, vol=4.069000e+05 or (segid " " and resid 67 and name HN) (segid " " and resid 67 and name HG11) or (segid " " and resid 67 and name HN) (segid " " and resid 67 and name HG13) assign (segid " " and resid 70 and name HN) (segid " " and resid 68 and name HN) 3.083 1.188 1.188 weight 1.000 ! spec=nnoesy, no=74, id=72, vol=4.565000e+05 assign (segid " " and resid 70 and name HN) (segid " " and resid 66 and name HN) 3.094 1.197 1.197 weight 1.000 ! spec=nnoesy, no=75, id=73, vol=4.469000e+05 assign (segid " " and resid 70 and name HN) (segid " " and resid 70 and name HA) 2.644 0.874 0.874 weight 1.000 ! spec=nnoesy, no=76, id=74, vol=1.149000e+06 assign (segid " " and resid 70 and name HN) (segid " " and resid 68 and name HA) 3.769 1.776 1.776 weight 1.000 ! spec=nnoesy, no=77, id=75, vol=1.369000e+05 assign (segid " " and resid 70 and name HN) (segid " " and resid 67 and name HA) 2.850 1.015 1.015 weight 1.000 ! spec=nnoesy, no=78, id=76, vol=7.322000e+05 assign (segid " " and resid 64 and name HN) (segid " " and resid 66 and name HN) 3.630 1.647 1.647 weight 1.000 ! spec=nnoesy, no=82, id=79, vol=1.714000e+05 assign (segid " " and resid 64 and name HN) (segid " " and resid 70 and name HA) 3.434 1.474 1.474 weight 1.000 ! spec=nnoesy, no=85, id=82, vol=2.393000e+05 assign (segid " " and resid 64 and name HN) (segid " " and resid 65 and name HD1) 3.571 1.594 1.594 weight 1.000 ! spec=nnoesy, no=86, id=83, vol=1.893000e+05 assign (segid " " and resid 64 and name HN) (segid " " and resid 64 and name HG2) 3.014 1.136 1.136 weight 1.000 ! spec=nnoesy, no=87, id=84, vol=5.230000e+05 assign (segid " " and resid 64 and name HN) (segid " " and resid 64 and name HG1) 3.049 1.162 1.162 weight 1.000 ! spec=nnoesy, no=88, id=85, vol=4.887000e+05 assign (segid " " and resid 64 and name HN) (segid " " and resid 70 and name HB2) 2.840 1.008 1.008 weight 1.000 ! spec=nnoesy, no=89, id=86, vol=7.482000e+05 or (segid " " and resid 64 and name HN) (segid " " and resid 70 and name HB1) or (segid " " and resid 64 and name HN) (segid " " and resid 70 and name HB3) assign (segid " " and resid 64 and name HN) (segid " " and resid 63 and name HB1) 2.988 1.116 1.116 weight 1.000 ! spec=nnoesy, no=90, id=87, vol=5.508000e+05 assign (segid " " and resid 55 and name HN) (segid " " and resid 55 and name HD1) 2.757 0.950 0.950 weight 1.000 ! spec=nnoesy, no=91, id=88, vol=8.928000e+05 assign (segid " " and resid 55 and name HN) (segid " " and resid 50 and name HN) 3.575 1.597 1.597 weight 1.000 ! spec=nnoesy, no=92, id=89, vol=1.880000e+05 assign (segid " " and resid 55 and name HN) (segid " " and resid 55 and name HA) 2.859 1.022 1.022 weight 1.000 ! spec=nnoesy, no=93, id=90, vol=7.183000e+05 assign (segid " " and resid 55 and name HN) (segid " " and resid 55 and name HB2) 2.642 0.872 0.872 weight 1.000 ! spec=nnoesy, no=97, id=94, vol=1.154000e+06 assign (segid " " and resid 55 and name HN) (segid " " and resid 55 and name HB1) 2.383 0.710 0.710 weight 1.000 ! spec=nnoesy, no=98, id=95, vol=2.141000e+06 assign (segid " " and resid 58 and name HN) (segid " " and resid 58 and name HA) 2.143 0.574 0.574 weight 1.000 ! spec=nnoesy, no=100, id=96, vol=4.048000e+06 assign (segid " " and resid 58 and name HN) (segid " " and resid 57 and name HB2) 2.649 0.877 0.877 weight 1.000 ! spec=nnoesy, no=101, id=97, vol=1.136000e+06 assign (segid " " and resid 58 and name HN) (segid " " and resid 58 and name HB2) 2.521 0.794 0.794 weight 1.000 ! spec=nnoesy, no=103, id=99, vol=1.528000e+06 assign (segid " " and resid 58 and name HN) (segid " " and resid 58 and name HB1) 2.535 0.803 0.803 weight 1.000 ! spec=nnoesy, no=105, id=101, vol=1.479000e+06 assign (segid " " and resid 47 and name HN) (segid " " and resid 27 and name HN) 3.021 1.141 1.141 weight 1.000 ! spec=nnoesy, no=106, id=102, vol=5.163000e+05 assign (segid " " and resid 47 and name HN) (segid " " and resid 28 and name HA) 3.314 1.373 1.373 weight 1.000 ! spec=nnoesy, no=107, id=103, vol=2.960000e+05 assign (segid " " and resid 47 and name HN) (segid " " and resid 46 and name HG22) 3.140 1.232 1.232 weight 1.000 ! spec=nnoesy, no=110, id=106, vol=4.097000e+05 or (segid " " and resid 47 and name HN) (segid " " and resid 46 and name HG21) or (segid " " and resid 47 and name HN) (segid " " and resid 46 and name HG23) assign (segid " " and resid 78 and name HN) (segid " " and resid 77 and name HA) 3.365 1.416 1.416 weight 1.000 ! spec=nnoesy, no=114, id=110, vol=2.701000e+05 assign (segid " " and resid 78 and name HN) (segid " " and resid 77 and name HB1) 4.790 2.867 2.867 weight 1.000 ! spec=nnoesy, no=118, id=114, vol=3.250000e+04 assign (segid " " and resid 78 and name HN) (segid " " and resid 78 and name HB1) 2.537 0.805 0.805 weight 1.000 ! spec=nnoesy, no=119, id=115, vol=1.470000e+06 assign (segid " " and resid 47 and name HN) (segid " " and resid 48 and name HA) 3.274 1.340 1.340 weight 1.000 ! spec=nnoesy, no=122, id=118, vol=3.186000e+05 assign (segid " " and resid 40 and name HN) (segid " " and resid 40 and name HB2) 2.291 0.656 0.656 weight 1.000 ! spec=nnoesy, no=125, id=121, vol=2.711000e+06 assign (segid " " and resid 40 and name HN) (segid " " and resid 40 and name HB1) 2.438 0.743 0.743 weight 1.000 ! spec=nnoesy, no=127, id=123, vol=1.867000e+06 assign (segid " " and resid 40 and name HN) (segid " " and resid 39 and name HB2) 2.813 0.989 0.989 weight 1.000 ! spec=nnoesy, no=128, id=124, vol=7.913000e+05 or (segid " " and resid 40 and name HN) (segid " " and resid 39 and name HB1) or (segid " " and resid 40 and name HN) (segid " " and resid 39 and name HB3) assign (segid " " and resid 17 and name HN) (segid " " and resid 16 and name HB2) 2.772 0.961 0.961 weight 1.000 ! spec=nnoesy, no=132, id=127, vol=8.639000e+05 assign (segid " " and resid 17 and name HN) (segid " " and resid 17 and name HG12) 2.541 0.807 0.807 weight 1.000 ! spec=nnoesy, no=134, id=129, vol=1.457000e+06 assign (segid " " and resid 46 and name HN) (segid " " and resid 59 and name HN) 2.720 0.925 0.925 weight 1.000 ! spec=nnoesy, no=137, id=131, vol=9.684000e+05 assign (segid " " and resid 46 and name HN) (segid " " and resid 46 and name HA) 2.892 1.046 1.046 weight 1.000 ! spec=nnoesy, no=139, id=133, vol=6.705000e+05 assign (segid " " and resid 46 and name HN) (segid " " and resid 60 and name HA) 3.143 1.234 1.234 weight 1.000 ! spec=nnoesy, no=140, id=134, vol=4.073000e+05 assign (segid " " and resid 46 and name HN) (segid " " and resid 58 and name HA) 3.317 1.375 1.375 weight 1.000 ! spec=nnoesy, no=141, id=135, vol=2.947000e+05 assign (segid " " and resid 46 and name HN) (segid " " and resid 45 and name HA1) 2.543 0.808 0.808 weight 1.000 ! spec=nnoesy, no=142, id=136, vol=1.450000e+06 assign (segid " " and resid 46 and name HN) (segid " " and resid 58 and name HG2) 2.602 0.846 0.846 weight 1.000 ! spec=nnoesy, no=144, id=138, vol=1.264000e+06 or (segid " " and resid 46 and name HN) (segid " " and resid 58 and name HG1) assign (segid " " and resid 46 and name HN) (segid " " and resid 46 and name HG22) 2.340 0.684 0.684 weight 1.000 ! spec=nnoesy, no=146, id=140, vol=2.392000e+06 or (segid " " and resid 46 and name HN) (segid " " and resid 46 and name HG21) or (segid " " and resid 46 and name HN) (segid " " and resid 46 and name HG23) assign (segid " " and resid 46 and name HN) (segid " " and resid 46 and name HG12) 3.193 1.275 1.275 weight 1.000 ! spec=nnoesy, no=147, id=141, vol=3.700000e+05 or (segid " " and resid 46 and name HN) (segid " " and resid 46 and name HG11) or (segid " " and resid 46 and name HN) (segid " " and resid 46 and name HG13) assign (segid " " and resid 81 and name HN) (segid " " and resid 78 and name HA) 2.968 1.101 1.101 weight 1.000 ! spec=nnoesy, no=148, id=142, vol=5.745000e+05 assign (segid " " and resid 81 and name HN) (segid " " and resid 81 and name HA) 2.465 0.759 0.759 weight 1.000 ! spec=nnoesy, no=149, id=143, vol=1.749000e+06 assign (segid " " and resid 81 and name HN) (segid " " and resid 79 and name HA) 3.502 1.533 1.533 weight 1.000 ! spec=nnoesy, no=150, id=144, vol=2.128000e+05 assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HA) 2.945 1.084 1.084 weight 1.000 ! spec=nnoesy, no=158, id=151, vol=6.011000e+05 assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HB2) 2.845 1.012 1.012 weight 1.000 ! spec=nnoesy, no=160, id=153, vol=7.393000e+05 assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HG2) 3.454 1.492 1.492 weight 1.000 ! spec=nnoesy, no=162, id=155, vol=2.309000e+05 assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HG1) 3.276 1.341 1.341 weight 1.000 ! spec=nnoesy, no=163, id=156, vol=3.176000e+05 assign (segid " " and resid 29 and name HN) (segid " " and resid 46 and name HG12) 3.735 1.744 1.744 weight 1.000 ! spec=nnoesy, no=164, id=157, vol=1.445000e+05 or (segid " " and resid 29 and name HN) (segid " " and resid 46 and name HG11) or (segid " " and resid 29 and name HN) (segid " " and resid 46 and name HG13) assign (segid " " and resid 23 and name HN) (segid " " and resid 23 and name HB1) 2.418 0.731 0.731 weight 1.000 ! spec=nnoesy, no=168, id=161, vol=1.962000e+06 assign (segid " " and resid 23 and name HN) (segid " " and resid 21 and name HB1) 2.883 1.039 1.039 weight 1.000 ! spec=nnoesy, no=169, id=162, vol=6.834000e+05 assign (segid " " and resid 79 and name HN) (segid " " and resid 79 and name HB2) 2.414 0.728 0.728 weight 1.000 ! spec=nnoesy, no=173, id=166, vol=1.983000e+06 assign (segid " " and resid 37 and name HN) (segid " " and resid 37 and name HA) 3.577 1.600 1.600 weight 1.000 ! spec=nnoesy, no=177, id=170, vol=1.872000e+05 assign (segid " " and resid 71 and name HN) (segid " " and resid 68 and name HA) 3.253 1.323 1.323 weight 1.000 ! spec=nnoesy, no=180, id=173, vol=3.311000e+05 assign (segid " " and resid 71 and name HN) (segid " " and resid 67 and name HA) 3.107 1.207 1.207 weight 1.000 ! spec=nnoesy, no=181, id=174, vol=4.360000e+05 assign (segid " " and resid 71 and name HN) (segid " " and resid 70 and name HB2) 2.645 0.875 0.875 weight 1.000 ! spec=nnoesy, no=182, id=175, vol=1.145000e+06 or (segid " " and resid 71 and name HN) (segid " " and resid 70 and name HB1) or (segid " " and resid 71 and name HN) (segid " " and resid 70 and name HB3) assign (segid " " and resid 71 and name HN) (segid " " and resid 71 and name HB2) 2.568 0.825 0.825 weight 1.000 ! spec=nnoesy, no=183, id=176, vol=1.367000e+06 assign (segid " " and resid 71 and name HN) (segid " " and resid 71 and name HB1) 2.834 1.004 1.004 weight 1.000 ! spec=nnoesy, no=184, id=177, vol=7.577000e+05 assign (segid " " and resid 71 and name HN) (segid " " and resid 71 and name HG2) 2.705 0.915 0.915 weight 1.000 ! spec=nnoesy, no=185, id=178, vol=1.001000e+06 assign (segid " " and resid 71 and name HN) (segid " " and resid 71 and name HG1) 2.949 1.087 1.087 weight 1.000 ! spec=nnoesy, no=186, id=179, vol=5.961000e+05 assign (segid " " and resid 42 and name HN) (segid " " and resid 63 and name HA) 3.518 1.547 1.547 weight 1.000 ! spec=nnoesy, no=187, id=180, vol=2.069000e+05 assign (segid " " and resid 42 and name HN) (segid " " and resid 41 and name HB2) 3.370 1.419 1.419 weight 1.000 ! spec=nnoesy, no=188, id=181, vol=2.680000e+05 assign (segid " " and resid 42 and name HN) (segid " " and resid 42 and name HA) 3.186 1.269 1.269 weight 1.000 ! spec=nnoesy, no=189, id=182, vol=3.750000e+05 assign (segid " " and resid 42 and name HN) (segid " " and resid 41 and name HA) 2.599 0.845 0.845 weight 1.000 ! spec=nnoesy, no=190, id=183, vol=1.272000e+06 assign (segid " " and resid 42 and name HN) (segid " " and resid 42 and name HB2) 3.208 1.286 1.286 weight 1.000 ! spec=nnoesy, no=191, id=184, vol=3.602000e+05 assign (segid " " and resid 42 and name HN) (segid " " and resid 41 and name HB1) 3.113 1.212 1.212 weight 1.000 ! spec=nnoesy, no=192, id=185, vol=4.308000e+05 assign (segid " " and resid 85 and name HN) (segid " " and resid 85 and name HA) 2.396 0.718 0.718 weight 1.000 ! spec=nnoesy, no=195, id=187, vol=2.074000e+06 assign (segid " " and resid 85 and name HN) (segid " " and resid 85 and name HG21) 2.899 1.050 1.050 weight 1.000 ! spec=nnoesy, no=197, id=189, vol=6.615000e+05 or (segid " " and resid 85 and name HN) (segid " " and resid 85 and name HG22) or (segid " " and resid 85 and name HN) (segid " " and resid 85 and name HG23) assign (segid " " and resid 84 and name HN) (segid " " and resid 84 and name HA) 2.586 0.836 0.836 weight 1.000 ! spec=nnoesy, no=199, id=190, vol=1.311000e+06 assign (segid " " and resid 84 and name HN) (segid " " and resid 82 and name HA) 2.790 0.973 0.973 weight 1.000 ! spec=nnoesy, no=200, id=191, vol=8.321000e+05 assign (segid " " and resid 84 and name HN) (segid " " and resid 83 and name HB1) 3.028 1.146 1.146 weight 1.000 ! spec=nnoesy, no=201, id=192, vol=5.094000e+05 assign (segid " " and resid 84 and name HN) (segid " " and resid 84 and name HB1) 2.271 0.645 0.645 weight 1.000 ! spec=nnoesy, no=202, id=193, vol=2.861000e+06 assign (segid " " and resid 84 and name HN) (segid " " and resid 84 and name HG1) 2.605 0.848 0.848 weight 1.000 ! spec=nnoesy, no=203, id=194, vol=1.256000e+06 assign (segid " " and resid 84 and name HN) (segid " " and resid 82 and name HD12) 3.456 1.493 1.493 weight 1.000 ! spec=nnoesy, no=204, id=195, vol=2.304000e+05 or (segid " " and resid 84 and name HN) (segid " " and resid 82 and name HD11) or (segid " " and resid 84 and name HN) (segid " " and resid 82 and name HD13) assign (segid " " and resid 74 and name HN) (segid " " and resid 75 and name HN) 2.490 0.775 0.775 weight 1.000 ! spec=nnoesy, no=205, id=196, vol=1.647000e+06 assign (segid " " and resid 74 and name HN) (segid " " and resid 61 and name HA1) 3.138 1.231 1.231 weight 1.000 ! spec=nnoesy, no=207, id=198, vol=4.109000e+05 assign (segid " " and resid 57 and name HN) (segid " " and resid 56 and name HB) 2.456 0.754 0.754 weight 1.000 ! spec=nnoesy, no=211, id=202, vol=1.789000e+06 assign (segid " " and resid 57 and name HN) (segid " " and resid 57 and name HB2) 2.806 0.984 0.984 weight 1.000 ! spec=nnoesy, no=213, id=204, vol=8.034000e+05 assign (segid " " and resid 57 and name HN) (segid " " and resid 56 and name HG21) 2.857 1.020 1.020 weight 1.000 ! spec=nnoesy, no=214, id=205, vol=7.220000e+05 or (segid " " and resid 57 and name HN) (segid " " and resid 56 and name HG22) or (segid " " and resid 57 and name HN) (segid " " and resid 56 and name HG23) assign (segid " " and resid 77 and name HN) (segid " " and resid 79 and name HN) 3.379 1.427 1.427 weight 1.000 ! spec=nnoesy, no=216, id=207, vol=2.638000e+05 assign (segid " " and resid 77 and name HN) (segid " " and resid 77 and name HA) 2.768 0.958 0.958 weight 1.000 ! spec=nnoesy, no=217, id=208, vol=8.723000e+05 assign (segid " " and resid 77 and name HN) (segid " " and resid 75 and name HA) 3.218 1.294 1.294 weight 1.000 ! spec=nnoesy, no=218, id=209, vol=3.535000e+05 assign (segid " " and resid 77 and name HN) (segid " " and resid 76 and name HA) 3.337 1.392 1.392 weight 1.000 ! spec=nnoesy, no=219, id=210, vol=2.839000e+05 assign (segid " " and resid 77 and name HN) (segid " " and resid 77 and name HG) 2.510 0.788 0.788 weight 1.000 ! spec=nnoesy, no=222, id=213, vol=1.568000e+06 assign (segid " " and resid 77 and name HN) (segid " " and resid 75 and name HB2) 3.214 1.292 1.292 weight 1.000 ! spec=nnoesy, no=223, id=214, vol=3.556000e+05 or (segid " " and resid 77 and name HN) (segid " " and resid 75 and name HB1) or (segid " " and resid 77 and name HN) (segid " " and resid 75 and name HB3) assign (segid " " and resid 41 and name HN) (segid " " and resid 40 and name HA) 3.158 1.247 1.247 weight 1.000 ! spec=nnoesy, no=225, id=216, vol=3.953000e+05 assign (segid " " and resid 41 and name HN) (segid " " and resid 41 and name HA) 2.997 1.123 1.123 weight 1.000 ! spec=nnoesy, no=226, id=217, vol=5.412000e+05 assign (segid " " and resid 41 and name HN) (segid " " and resid 39 and name HA) 3.323 1.380 1.380 weight 1.000 ! spec=nnoesy, no=227, id=218, vol=2.916000e+05 assign (segid " " and resid 41 and name HN) (segid " " and resid 41 and name HB1) 3.321 1.379 1.379 weight 1.000 ! spec=nnoesy, no=229, id=220, vol=2.923000e+05 assign (segid " " and resid 72 and name HN) (segid " " and resid 71 and name HN) 2.551 0.813 0.813 weight 1.000 ! spec=nnoesy, no=230, id=221, vol=1.425000e+06 assign (segid " " and resid 72 and name HN) (segid " " and resid 72 and name HA) 2.554 0.816 0.816 weight 1.000 ! spec=nnoesy, no=231, id=222, vol=1.412000e+06 assign (segid " " and resid 72 and name HN) (segid " " and resid 69 and name HA) 2.734 0.935 0.935 weight 1.000 ! spec=nnoesy, no=232, id=223, vol=9.385000e+05 assign (segid " " and resid 72 and name HN) (segid " " and resid 71 and name HA) 3.248 1.319 1.319 weight 1.000 ! spec=nnoesy, no=233, id=224, vol=3.340000e+05 assign (segid " " and resid 72 and name HN) (segid " " and resid 71 and name HB2) 2.644 0.874 0.874 weight 1.000 ! spec=nnoesy, no=235, id=226, vol=1.148000e+06 assign (segid " " and resid 72 and name HN) (segid " " and resid 71 and name HG1) 3.676 1.689 1.689 weight 1.000 ! spec=nnoesy, no=236, id=227, vol=1.590000e+05 assign (segid " " and resid 72 and name HN) (segid " " and resid 68 and name HA) 3.518 1.547 1.547 weight 1.000 ! spec=nnoesy, no=237, id=228, vol=2.068000e+05 assign (segid " " and resid 72 and name HN) (segid " " and resid 71 and name HB1) 2.878 1.035 1.035 weight 1.000 ! spec=nnoesy, no=238, id=229, vol=6.905000e+05 assign (segid " " and resid 20 and name HN) (segid " " and resid 21 and name HN) 2.414 0.728 0.728 weight 1.000 ! spec=nnoesy, no=239, id=230, vol=1.984000e+06 assign (segid " " and resid 20 and name HN) (segid " " and resid 16 and name HA) 3.183 1.266 1.266 weight 1.000 ! spec=nnoesy, no=240, id=231, vol=3.772000e+05 assign (segid " " and resid 20 and name HN) (segid " " and resid 19 and name HA) 2.979 1.109 1.109 weight 1.000 ! spec=nnoesy, no=241, id=232, vol=5.614000e+05 assign (segid " " and resid 20 and name HN) (segid " " and resid 17 and name HA) 2.934 1.076 1.076 weight 1.000 ! spec=nnoesy, no=243, id=234, vol=6.152000e+05 assign (segid " " and resid 20 and name HN) (segid " " and resid 19 and name HB2) 2.120 0.562 0.562 weight 1.000 ! spec=nnoesy, no=245, id=236, vol=4.325000e+06 assign (segid " " and resid 20 and name HN) (segid " " and resid 21 and name HB1) 3.256 1.325 1.325 weight 1.000 ! spec=nnoesy, no=249, id=240, vol=3.293000e+05 assign (segid " " and resid 82 and name HN) (segid " " and resid 81 and name HN) 2.513 0.790 0.790 weight 1.000 ! spec=nnoesy, no=250, id=241, vol=1.557000e+06 assign (segid " " and resid 82 and name HN) (segid " " and resid 78 and name HA) 3.735 1.743 1.743 weight 1.000 ! spec=nnoesy, no=251, id=242, vol=1.446000e+05 assign (segid " " and resid 82 and name HN) (segid " " and resid 82 and name HA) 2.566 0.823 0.823 weight 1.000 ! spec=nnoesy, no=252, id=243, vol=1.375000e+06 assign (segid " " and resid 82 and name HN) (segid " " and resid 79 and name HA) 3.071 1.179 1.179 weight 1.000 ! spec=nnoesy, no=253, id=244, vol=4.675000e+05 assign (segid " " and resid 82 and name HN) (segid " " and resid 82 and name HB2) 2.173 0.590 0.590 weight 1.000 ! spec=nnoesy, no=254, id=245, vol=3.727000e+06 assign (segid " " and resid 82 and name HN) (segid " " and resid 82 and name HG) 2.972 1.104 1.104 weight 1.000 ! spec=nnoesy, no=255, id=246, vol=5.691000e+05 assign (segid " " and resid 82 and name HN) (segid " " and resid 82 and name HB1) 2.657 0.882 0.882 weight 1.000 ! spec=nnoesy, no=256, id=247, vol=1.116000e+06 assign (segid " " and resid 82 and name HN) (segid " " and resid 85 and name HG21) 3.172 1.258 1.258 weight 1.000 ! spec=nnoesy, no=257, id=248, vol=3.849000e+05 or (segid " " and resid 82 and name HN) (segid " " and resid 85 and name HG22) or (segid " " and resid 82 and name HN) (segid " " and resid 85 and name HG23) assign (segid " " and resid 82 and name HN) (segid " " and resid 82 and name HD12) 2.574 0.828 0.828 weight 1.000 ! spec=nnoesy, no=258, id=249, vol=1.348000e+06 or (segid " " and resid 82 and name HN) (segid " " and resid 82 and name HD11) or (segid " " and resid 82 and name HN) (segid " " and resid 82 and name HD13) assign (segid " " and resid 19 and name HN) (segid " " and resid 16 and name HA) 2.908 1.057 1.057 weight 1.000 ! spec=nnoesy, no=259, id=250, vol=6.481000e+05 assign (segid " " and resid 19 and name HN) (segid " " and resid 18 and name HB2) 2.802 0.981 0.981 weight 1.000 ! spec=nnoesy, no=261, id=252, vol=8.115000e+05 assign (segid " " and resid 68 and name HN) (segid " " and resid 67 and name HA) 2.975 1.107 1.107 weight 1.000 ! spec=nnoesy, no=262, id=253, vol=5.656000e+05 assign (segid " " and resid 19 and name HN) (segid " " and resid 18 and name HN) 2.672 0.893 0.893 weight 1.000 ! spec=nnoesy, no=265, id=256, vol=1.077000e+06 assign (segid " " and resid 19 and name HN) (segid " " and resid 18 and name HA) 3.087 1.191 1.191 weight 1.000 ! spec=nnoesy, no=266, id=257, vol=4.530000e+05 assign (segid " " and resid 19 and name HN) (segid " " and resid 18 and name HB1) 2.966 1.100 1.100 weight 1.000 ! spec=nnoesy, no=267, id=258, vol=5.760000e+05 assign (segid " " and resid 19 and name HN) (segid " " and resid 25 and name HE2) 3.658 1.673 1.673 weight 1.000 ! spec=nnoesy, no=268, id=259, vol=1.637000e+05 or (segid " " and resid 19 and name HN) (segid " " and resid 25 and name HE1) or (segid " " and resid 19 and name HN) (segid " " and resid 25 and name HE3) assign (segid " " and resid 19 and name HN) (segid " " and resid 19 and name HB1) 2.188 0.599 0.599 weight 1.000 ! spec=nnoesy, no=269, id=260, vol=3.571000e+06 assign (segid " " and resid 32 and name HN) (segid " " and resid 44 and name HA) 3.348 1.401 1.401 weight 1.000 ! spec=nnoesy, no=270, id=261, vol=2.787000e+05 assign (segid " " and resid 32 and name HN) (segid " " and resid 43 and name HB) 2.590 0.839 0.839 weight 1.000 ! spec=nnoesy, no=272, id=263, vol=1.299000e+06 assign (segid " " and resid 32 and name HN) (segid " " and resid 30 and name HA) 3.026 1.144 1.144 weight 1.000 ! spec=nnoesy, no=274, id=265, vol=5.112000e+05 assign (segid " " and resid 32 and name HN) (segid " " and resid 43 and name HG21) 3.050 1.163 1.163 weight 1.000 ! spec=nnoesy, no=276, id=267, vol=4.872000e+05 or (segid " " and resid 32 and name HN) (segid " " and resid 43 and name HG22) or (segid " " and resid 32 and name HN) (segid " " and resid 43 and name HG23) assign (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HG12) 2.819 0.994 0.994 weight 1.000 ! spec=nnoesy, no=277, id=268, vol=7.813000e+05 or (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HG11) or (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HG13) assign (segid " " and resid 68 and name HN) (segid " " and resid 68 and name HG2) 2.868 1.028 1.028 weight 1.000 ! spec=nnoesy, no=280, id=271, vol=7.052000e+05 assign (segid " " and resid 68 and name HN) (segid " " and resid 67 and name HG12) 2.963 1.097 1.097 weight 1.000 ! spec=nnoesy, no=281, id=272, vol=5.802000e+05 or (segid " " and resid 68 and name HN) (segid " " and resid 67 and name HG11) or (segid " " and resid 68 and name HN) (segid " " and resid 67 and name HG13) assign (segid " " and resid 75 and name HN) (segid " " and resid 71 and name HA) 3.430 1.470 1.470 weight 1.000 ! spec=nnoesy, no=283, id=274, vol=2.410000e+05 assign (segid " " and resid 53 and name HN) (segid " " and resid 53 and name HA) 2.741 0.939 0.939 weight 1.000 ! spec=nnoesy, no=290, id=280, vol=9.249000e+05 assign (segid " " and resid 53 and name HN) (segid " " and resid 50 and name HG21) 3.339 1.393 1.393 weight 1.000 ! spec=nnoesy, no=291, id=281, vol=2.832000e+05 or (segid " " and resid 53 and name HN) (segid " " and resid 50 and name HG22) or (segid " " and resid 53 and name HN) (segid " " and resid 50 and name HG23) assign (segid " " and resid 43 and name HN) (segid " " and resid 43 and name HA) 3.146 1.238 1.238 weight 1.000 ! spec=nnoesy, no=292, id=282, vol=4.043000e+05 assign (segid " " and resid 43 and name HN) (segid " " and resid 42 and name HB1) 3.376 1.425 1.425 weight 1.000 ! spec=nnoesy, no=293, id=283, vol=2.648000e+05 assign (segid " " and resid 43 and name HN) (segid " " and resid 43 and name HG21) 3.345 1.399 1.399 weight 1.000 ! spec=nnoesy, no=294, id=284, vol=2.799000e+05 or (segid " " and resid 43 and name HN) (segid " " and resid 43 and name HG22) or (segid " " and resid 43 and name HN) (segid " " and resid 43 and name HG23) assign (segid " " and resid 43 and name HN) (segid " " and resid 42 and name HB2) 3.179 1.263 1.263 weight 1.000 ! spec=nnoesy, no=297, id=287, vol=3.802000e+05 assign (segid " " and resid 43 and name HN) (segid " " and resid 70 and name HB2) 3.534 1.561 1.561 weight 1.000 ! spec=nnoesy, no=298, id=288, vol=2.013000e+05 or (segid " " and resid 43 and name HN) (segid " " and resid 70 and name HB1) or (segid " " and resid 43 and name HN) (segid " " and resid 70 and name HB3) assign (segid " " and resid 43 and name HN) (segid " " and resid 32 and name HB1) 3.091 1.194 1.194 weight 1.000 ! spec=nnoesy, no=299, id=289, vol=4.502000e+05 assign (segid " " and resid 75 and name HN) (segid " " and resid 72 and name HA) 3.151 1.241 1.241 weight 1.000 ! spec=nnoesy, no=300, id=290, vol=4.005000e+05 assign (segid " " and resid 75 and name HN) (segid " " and resid 46 and name HG22) 3.112 1.211 1.211 weight 1.000 ! spec=nnoesy, no=301, id=291, vol=4.316000e+05 or (segid " " and resid 75 and name HN) (segid " " and resid 46 and name HG21) or (segid " " and resid 75 and name HN) (segid " " and resid 46 and name HG23) assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HA) 2.911 1.059 1.059 weight 1.000 ! spec=nnoesy, no=303, id=293, vol=6.451000e+05 assign (segid " " and resid 18 and name HN) (segid " " and resid 17 and name HA) 3.299 1.360 1.360 weight 1.000 ! spec=nnoesy, no=304, id=294, vol=3.044000e+05 assign (segid " " and resid 18 and name HN) (segid " " and resid 17 and name HB) 2.699 0.910 0.910 weight 1.000 ! spec=nnoesy, no=308, id=298, vol=1.016000e+06 assign (segid " " and resid 18 and name HN) (segid " " and resid 19 and name HB2) 3.337 1.392 1.392 weight 1.000 ! spec=nnoesy, no=309, id=299, vol=2.843000e+05 assign (segid " " and resid 18 and name HN) (segid " " and resid 82 and name HD22) 3.263 1.331 1.331 weight 1.000 ! spec=nnoesy, no=310, id=300, vol=3.250000e+05 or (segid " " and resid 18 and name HN) (segid " " and resid 82 and name HD21) or (segid " " and resid 18 and name HN) (segid " " and resid 82 and name HD23) assign (segid " " and resid 18 and name HN) (segid " " and resid 17 and name HD12) 2.822 0.995 0.995 weight 1.000 ! spec=nnoesy, no=311, id=301, vol=7.769000e+05 or (segid " " and resid 18 and name HN) (segid " " and resid 17 and name HD11) or (segid " " and resid 18 and name HN) (segid " " and resid 17 and name HD13) assign (segid " " and resid 52 and name HN) (segid " " and resid 51 and name HN) 3.100 1.201 1.201 weight 1.000 ! spec=nnoesy, no=314, id=304, vol=4.423000e+05 assign (segid " " and resid 52 and name HN) (segid " " and resid 52 and name HA) 2.987 1.116 1.116 weight 1.000 ! spec=nnoesy, no=316, id=306, vol=5.520000e+05 assign (segid " " and resid 52 and name HN) (segid " " and resid 50 and name HB) 3.125 1.221 1.221 weight 1.000 ! spec=nnoesy, no=318, id=308, vol=4.212000e+05 assign (segid " " and resid 52 and name HN) (segid " " and resid 50 and name HA) 3.650 1.666 1.666 weight 1.000 ! spec=nnoesy, no=319, id=309, vol=1.658000e+05 assign (segid " " and resid 52 and name HN) (segid " " and resid 50 and name HG21) 3.768 1.775 1.775 weight 1.000 ! spec=nnoesy, no=320, id=310, vol=1.371000e+05 or (segid " " and resid 52 and name HN) (segid " " and resid 50 and name HG22) or (segid " " and resid 52 and name HN) (segid " " and resid 50 and name HG23) assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HA) 3.119 1.216 1.216 weight 1.000 ! spec=nnoesy, no=322, id=311, vol=4.261000e+05 assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HB) 2.625 0.862 0.862 weight 1.000 ! spec=nnoesy, no=326, id=315, vol=1.198000e+06 assign (segid " " and resid 48 and name HN) (segid " " and resid 56 and name HG21) 2.752 0.947 0.947 weight 1.000 ! spec=nnoesy, no=327, id=316, vol=9.022000e+05 or (segid " " and resid 48 and name HN) (segid " " and resid 56 and name HG22) or (segid " " and resid 48 and name HN) (segid " " and resid 56 and name HG23) assign (segid " " and resid 48 and name HN) (segid " " and resid 78 and name HD12) 2.934 1.076 1.076 weight 1.000 ! spec=nnoesy, no=328, id=317, vol=6.152000e+05 or (segid " " and resid 48 and name HN) (segid " " and resid 78 and name HD11) or (segid " " and resid 48 and name HN) (segid " " and resid 78 and name HD13) assign (segid " " and resid 48 and name HN) (segid " " and resid 50 and name HG21) 3.483 1.517 1.517 weight 1.000 ! spec=nnoesy, no=330, id=319, vol=2.197000e+05 or (segid " " and resid 48 and name HN) (segid " " and resid 50 and name HG22) or (segid " " and resid 48 and name HN) (segid " " and resid 50 and name HG23) assign (segid " " and resid 80 and name HN) (segid " " and resid 78 and name HA) 4.098 2.099 2.099 weight 1.000 ! spec=nnoesy, no=331, id=320, vol=8.287000e+04 assign (segid " " and resid 80 and name HN) (segid " " and resid 77 and name HA) 3.079 1.185 1.185 weight 1.000 ! spec=nnoesy, no=332, id=321, vol=4.603000e+05 assign (segid " " and resid 80 and name HN) (segid " " and resid 80 and name HA) 2.653 0.880 0.880 weight 1.000 ! spec=nnoesy, no=333, id=322, vol=1.125000e+06 assign (segid " " and resid 80 and name HN) (segid " " and resid 80 and name HB2) 2.372 0.703 0.703 weight 1.000 ! spec=nnoesy, no=336, id=325, vol=2.201000e+06 assign (segid " " and resid 80 and name HN) (segid " " and resid 79 and name HB2) 2.777 0.964 0.964 weight 1.000 ! spec=nnoesy, no=337, id=326, vol=8.558000e+05 assign (segid " " and resid 27 and name HN) (segid " " and resid 55 and name HZ3) 3.666 1.680 1.680 weight 1.000 ! spec=nnoesy, no=341, id=330, vol=1.616000e+05 assign (segid " " and resid 27 and name HN) (segid " " and resid 46 and name HA) 3.748 1.756 1.756 weight 1.000 ! spec=nnoesy, no=342, id=331, vol=1.416000e+05 assign (segid " " and resid 27 and name HN) (segid " " and resid 27 and name HA) 2.780 0.966 0.966 weight 1.000 ! spec=nnoesy, no=343, id=332, vol=8.507000e+05 assign (segid " " and resid 27 and name HN) (segid " " and resid 26 and name HB2) 2.783 0.968 0.968 weight 1.000 ! spec=nnoesy, no=345, id=334, vol=8.447000e+05 assign (segid " " and resid 27 and name HN) (segid " " and resid 26 and name HB1) 3.012 1.134 1.134 weight 1.000 ! spec=nnoesy, no=346, id=335, vol=5.251000e+05 assign (segid " " and resid 27 and name HN) (segid " " and resid 48 and name HG22) 3.167 1.254 1.254 weight 1.000 ! spec=nnoesy, no=347, id=336, vol=3.888000e+05 or (segid " " and resid 27 and name HN) (segid " " and resid 48 and name HG21) or (segid " " and resid 27 and name HN) (segid " " and resid 48 and name HG23) assign (segid " " and resid 27 and name HN) (segid " " and resid 46 and name HG12) 3.039 1.154 1.154 weight 1.000 ! spec=nnoesy, no=348, id=337, vol=4.980000e+05 or (segid " " and resid 27 and name HN) (segid " " and resid 46 and name HG11) or (segid " " and resid 27 and name HN) (segid " " and resid 46 and name HG13) assign (segid " " and resid 27 and name HN) (segid " " and resid 78 and name HD22) 3.896 1.898 1.898 weight 1.000 ! spec=nnoesy, no=349, id=338, vol=1.121000e+05 or (segid " " and resid 27 and name HN) (segid " " and resid 78 and name HD21) or (segid " " and resid 27 and name HN) (segid " " and resid 78 and name HD23) or (segid " " and resid 27 and name HN) (segid " " and resid 78 and name HD12) or (segid " " and resid 27 and name HN) (segid " " and resid 78 and name HD11) or (segid " " and resid 27 and name HN) (segid " " and resid 78 and name HD13) assign (segid " " and resid 25 and name HN) (segid " " and resid 24 and name HA) 2.228 0.621 0.621 weight 1.000 ! spec=nnoesy, no=350, id=339, vol=3.205000e+06 assign (segid " " and resid 25 and name HN) (segid " " and resid 25 and name HB1) 2.274 0.647 0.647 weight 1.000 ! spec=nnoesy, no=356, id=345, vol=2.835000e+06 assign (segid " " and resid 83 and name HN) (segid " " and resid 84 and name HN) 2.522 0.795 0.795 weight 1.000 ! spec=nnoesy, no=357, id=346, vol=1.524000e+06 assign (segid " " and resid 83 and name HN) (segid " " and resid 83 and name HA) 2.653 0.880 0.880 weight 1.000 ! spec=nnoesy, no=358, id=347, vol=1.126000e+06 assign (segid " " and resid 83 and name HN) (segid " " and resid 82 and name HA) 2.815 0.990 0.990 weight 1.000 ! spec=nnoesy, no=359, id=348, vol=7.890000e+05 assign (segid " " and resid 83 and name HN) (segid " " and resid 79 and name HA) 3.451 1.488 1.488 weight 1.000 ! spec=nnoesy, no=360, id=349, vol=2.324000e+05 assign (segid " " and resid 83 and name HN) (segid " " and resid 82 and name HB2) 2.682 0.899 0.899 weight 1.000 ! spec=nnoesy, no=362, id=351, vol=1.053000e+06 assign (segid " " and resid 83 and name HN) (segid " " and resid 82 and name HB1) 2.960 1.096 1.096 weight 1.000 ! spec=nnoesy, no=363, id=352, vol=5.828000e+05 assign (segid " " and resid 83 and name HN) (segid " " and resid 82 and name HD12) 3.125 1.221 1.221 weight 1.000 ! spec=nnoesy, no=364, id=353, vol=4.213000e+05 or (segid " " and resid 83 and name HN) (segid " " and resid 82 and name HD11) or (segid " " and resid 83 and name HN) (segid " " and resid 82 and name HD13) assign (segid " " and resid 21 and name HN) (segid " " and resid 22 and name HA) 3.374 1.423 1.423 weight 1.000 ! spec=nnoesy, no=365, id=354, vol=2.661000e+05 assign (segid " " and resid 21 and name HN) (segid " " and resid 19 and name HA) 3.727 1.736 1.736 weight 1.000 ! spec=nnoesy, no=366, id=355, vol=1.464000e+05 assign (segid " " and resid 21 and name HN) (segid " " and resid 17 and name HA) 3.475 1.509 1.509 weight 1.000 ! spec=nnoesy, no=369, id=358, vol=2.229000e+05 assign (segid " " and resid 21 and name HN) (segid " " and resid 21 and name HD2) 3.952 1.952 1.952 weight 1.000 ! spec=nnoesy, no=372, id=361, vol=1.030000e+05 assign (segid " " and resid 21 and name HN) (segid " " and resid 21 and name HB1) 2.291 0.656 0.656 weight 1.000 ! spec=nnoesy, no=374, id=363, vol=2.715000e+06 assign (segid " " and resid 76 and name HN) (segid " " and resid 75 and name HN) 2.726 0.929 0.929 weight 1.000 ! spec=nnoesy, no=375, id=364, vol=9.564000e+05 assign (segid " " and resid 76 and name HN) (segid " " and resid 77 and name HN) 2.696 0.908 0.908 weight 1.000 ! spec=nnoesy, no=376, id=365, vol=1.022000e+06 assign (segid " " and resid 76 and name HN) (segid " " and resid 75 and name HA) 3.177 1.262 1.262 weight 1.000 ! spec=nnoesy, no=377, id=366, vol=3.814000e+05 assign (segid " " and resid 76 and name HN) (segid " " and resid 75 and name HB2) 2.629 0.864 0.864 weight 1.000 ! spec=nnoesy, no=380, id=369, vol=1.188000e+06 or (segid " " and resid 76 and name HN) (segid " " and resid 75 and name HB1) or (segid " " and resid 76 and name HN) (segid " " and resid 75 and name HB3) assign (segid " " and resid 76 and name HN) (segid " " and resid 73 and name HA) 3.086 1.191 1.191 weight 1.000 ! spec=nnoesy, no=382, id=371, vol=4.540000e+05 assign (segid " " and resid 69 and name HN) (segid " " and resid 68 and name HA) 3.323 1.380 1.380 weight 1.000 ! spec=nnoesy, no=384, id=373, vol=2.915000e+05 assign (segid " " and resid 69 and name HN) (segid " " and resid 67 and name HA) 3.580 1.602 1.602 weight 1.000 ! spec=nnoesy, no=385, id=374, vol=1.865000e+05 assign (segid " " and resid 69 and name HN) (segid " " and resid 68 and name HB2) 2.383 0.710 0.710 weight 1.000 ! spec=nnoesy, no=387, id=376, vol=2.143000e+06 assign (segid " " and resid 69 and name HN) (segid " " and resid 69 and name HG2) 2.388 0.713 0.713 weight 1.000 ! spec=nnoesy, no=388, id=377, vol=2.114000e+06 or (segid " " and resid 69 and name HN) (segid " " and resid 69 and name HG1) assign (segid " " and resid 62 and name HN) (segid " " and resid 74 and name HN) 3.636 1.653 1.653 weight 1.000 ! spec=nnoesy, no=389, id=378, vol=1.697000e+05 assign (segid " " and resid 62 and name HN) (segid " " and resid 62 and name HA) 2.881 1.037 1.037 weight 1.000 ! spec=nnoesy, no=390, id=379, vol=6.865000e+05 assign (segid " " and resid 62 and name HN) (segid " " and resid 61 and name HA1) 2.424 0.734 0.734 weight 1.000 ! spec=nnoesy, no=392, id=381, vol=1.935000e+06 assign (segid " " and resid 62 and name HN) (segid " " and resid 62 and name HB2) 2.751 0.946 0.946 weight 1.000 ! spec=nnoesy, no=393, id=382, vol=9.060000e+05 assign (segid " " and resid 62 and name HN) (segid " " and resid 62 and name HB1) 2.498 0.780 0.780 weight 1.000 ! spec=nnoesy, no=394, id=383, vol=1.614000e+06 assign (segid " " and resid 22 and name HN) (segid " " and resid 20 and name HA) 2.911 1.059 1.059 weight 1.000 ! spec=nnoesy, no=398, id=387, vol=6.454000e+05 assign (segid " " and resid 22 and name HN) (segid " " and resid 21 and name HA) 2.757 0.950 0.950 weight 1.000 ! spec=nnoesy, no=399, id=388, vol=8.934000e+05 assign (segid " " and resid 22 and name HN) (segid " " and resid 22 and name HB1) 2.706 0.915 0.915 weight 1.000 ! spec=nnoesy, no=401, id=390, vol=9.996000e+05 assign (segid " " and resid 22 and name HN) (segid " " and resid 20 and name HG2) 3.343 1.397 1.397 weight 1.000 ! spec=nnoesy, no=403, id=392, vol=2.812000e+05 or (segid " " and resid 22 and name HN) (segid " " and resid 20 and name HG1) assign (segid " " and resid 22 and name HN) (segid " " and resid 21 and name HD1) 3.405 1.449 1.449 weight 1.000 ! spec=nnoesy, no=405, id=394, vol=2.518000e+05 assign (segid " " and resid 22 and name HN) (segid " " and resid 21 and name HB1) 2.841 1.009 1.009 weight 1.000 ! spec=nnoesy, no=406, id=395, vol=7.458000e+05 assign (segid " " and resid 56 and name HN) (segid " " and resid 55 and name HE3) 3.150 1.240 1.240 weight 1.000 ! spec=nnoesy, no=407, id=396, vol=4.017000e+05 assign (segid " " and resid 56 and name HN) (segid " " and resid 56 and name HB) 2.961 1.096 1.096 weight 1.000 ! spec=nnoesy, no=410, id=399, vol=5.821000e+05 assign (segid " " and resid 56 and name HN) (segid " " and resid 49 and name HA) 2.868 1.028 1.028 weight 1.000 ! spec=nnoesy, no=412, id=401, vol=7.047000e+05 assign (segid " " and resid 56 and name HN) (segid " " and resid 55 and name HB2) 2.941 1.081 1.081 weight 1.000 ! spec=nnoesy, no=413, id=402, vol=6.058000e+05 assign (segid " " and resid 56 and name HN) (segid " " and resid 55 and name HB1) 3.179 1.264 1.264 weight 1.000 ! spec=nnoesy, no=414, id=403, vol=3.798000e+05 assign (segid " " and resid 56 and name HN) (segid " " and resid 47 and name HB1) 3.277 1.342 1.342 weight 1.000 ! spec=nnoesy, no=415, id=404, vol=3.167000e+05 assign (segid " " and resid 56 and name HN) (segid " " and resid 48 and name HB) 3.467 1.503 1.503 weight 1.000 ! spec=nnoesy, no=416, id=405, vol=2.258000e+05 assign (segid " " and resid 56 and name HN) (segid " " and resid 56 and name HG21) 2.316 0.671 0.671 weight 1.000 ! spec=nnoesy, no=417, id=406, vol=2.540000e+06 or (segid " " and resid 56 and name HN) (segid " " and resid 56 and name HG22) or (segid " " and resid 56 and name HN) (segid " " and resid 56 and name HG23) assign (segid " " and resid 56 and name HN) (segid " " and resid 50 and name HG21) 3.197 1.277 1.277 weight 1.000 ! spec=nnoesy, no=418, id=407, vol=3.677000e+05 or (segid " " and resid 56 and name HN) (segid " " and resid 50 and name HG22) or (segid " " and resid 56 and name HN) (segid " " and resid 50 and name HG23) assign (segid " " and resid 53 and name HN) (segid " " and resid 51 and name HN) 3.328 1.385 1.385 weight 1.000 ! spec=nnoesy, no=419, id=408, vol=2.887000e+05 assign (segid " " and resid 50 and name HN) (segid " " and resid 56 and name HG21) 3.142 1.234 1.234 weight 1.000 ! spec=nnoesy, no=425, id=414, vol=4.074000e+05 or (segid " " and resid 50 and name HN) (segid " " and resid 56 and name HG22) or (segid " " and resid 50 and name HN) (segid " " and resid 56 and name HG23) assign (segid " " and resid 61 and name HN) (segid " " and resid 45 and name HA2) 3.118 1.215 1.215 weight 1.000 ! spec=nnoesy, no=427, id=416, vol=4.267000e+05 assign (segid " " and resid 61 and name HN) (segid " " and resid 60 and name HA) 2.488 0.773 0.773 weight 1.000 ! spec=nnoesy, no=428, id=417, vol=1.656000e+06 assign (segid " " and resid 61 and name HN) (segid " " and resid 45 and name HA1) 3.420 1.462 1.462 weight 1.000 ! spec=nnoesy, no=431, id=420, vol=2.450000e+05 assign (segid " " and resid 61 and name HN) (segid " " and resid 60 and name HB) 3.514 1.544 1.544 weight 1.000 ! spec=nnoesy, no=432, id=421, vol=2.083000e+05 assign (segid " " and resid 61 and name HN) (segid " " and resid 74 and name HB2) 2.645 0.875 0.875 weight 1.000 ! spec=nnoesy, no=433, id=422, vol=1.145000e+06 or (segid " " and resid 61 and name HN) (segid " " and resid 74 and name HB1) or (segid " " and resid 61 and name HN) (segid " " and resid 74 and name HB3) assign (segid " " and resid 61 and name HN) (segid " " and resid 60 and name HD12) 3.043 1.157 1.157 weight 1.000 ! spec=nnoesy, no=435, id=424, vol=4.946000e+05 or (segid " " and resid 61 and name HN) (segid " " and resid 60 and name HD11) or (segid " " and resid 61 and name HN) (segid " " and resid 60 and name HD13) assign (segid " " and resid 73 and name HN) (segid " " and resid 75 and name HN) 3.581 1.603 1.603 weight 1.000 ! spec=nnoesy, no=436, id=425, vol=1.859000e+05 assign (segid " " and resid 73 and name HN) (segid " " and resid 74 and name HN) 2.752 0.947 0.947 weight 1.000 ! spec=nnoesy, no=437, id=426, vol=9.027000e+05 assign (segid " " and resid 73 and name HN) (segid " " and resid 64 and name HE2) 3.607 1.626 1.626 weight 1.000 ! spec=nnoesy, no=439, id=428, vol=1.782000e+05 or (segid " " and resid 73 and name HN) (segid " " and resid 64 and name HE1) or (segid " " and resid 73 and name HN) (segid " " and resid 64 and name HE3) assign (segid " " and resid 34 and name HN) (segid " " and resid 34 and name HA1) 2.840 1.008 1.008 weight 1.000 ! spec=nnoesy, no=442, id=431, vol=7.480000e+05 assign (segid " " and resid 53 and name HN) (segid " " and resid 54 and name HN) 2.354 0.693 0.693 weight 1.000 ! spec=nnoesy, no=443, id=432, vol=2.307000e+06 assign (segid " " and resid 50 and name HN) (segid " " and resid 54 and name HN) 2.980 1.110 1.110 weight 1.000 ! spec=nnoesy, no=444, id=433, vol=5.599000e+05 assign (segid " " and resid 54 and name HN) (segid " " and resid 50 and name HB) 3.107 1.206 1.206 weight 1.000 ! spec=nnoesy, no=449, id=438, vol=4.365000e+05 assign (segid " " and resid 54 and name HN) (segid " " and resid 53 and name HB2) 3.439 1.478 1.478 weight 1.000 ! spec=nnoesy, no=450, id=439, vol=2.373000e+05 assign (segid " " and resid 54 and name HN) (segid " " and resid 53 and name HB1) 3.134 1.228 1.228 weight 1.000 ! spec=nnoesy, no=451, id=440, vol=4.140000e+05 assign (segid " " and resid 54 and name HN) (segid " " and resid 50 and name HG21) 3.425 1.466 1.466 weight 1.000 ! spec=nnoesy, no=452, id=441, vol=2.432000e+05 or (segid " " and resid 54 and name HN) (segid " " and resid 50 and name HG22) or (segid " " and resid 54 and name HN) (segid " " and resid 50 and name HG23) assign (segid " " and resid 66 and name HN) (segid " " and resid 64 and name HA) 3.447 1.485 1.485 weight 1.000 ! spec=nnoesy, no=454, id=442, vol=2.338000e+05 assign (segid " " and resid 66 and name HN) (segid " " and resid 65 and name HA) 2.927 1.071 1.071 weight 1.000 ! spec=nnoesy, no=455, id=443, vol=6.243000e+05 assign (segid " " and resid 66 and name HN) (segid " " and resid 66 and name HA) 2.827 0.999 0.999 weight 1.000 ! spec=nnoesy, no=456, id=444, vol=7.678000e+05 assign (segid " " and resid 66 and name HN) (segid " " and resid 66 and name HB2) 3.037 1.153 1.153 weight 1.000 ! spec=nnoesy, no=457, id=445, vol=5.003000e+05 assign (segid " " and resid 66 and name HN) (segid " " and resid 66 and name HB1) 3.034 1.151 1.151 weight 1.000 ! spec=nnoesy, no=458, id=446, vol=5.028000e+05 assign (segid " " and resid 66 and name HN) (segid " " and resid 65 and name HD1) 2.894 1.047 1.047 weight 1.000 ! spec=nnoesy, no=459, id=447, vol=6.684000e+05 assign (segid " " and resid 66 and name HN) (segid " " and resid 65 and name HB1) 3.394 1.440 1.440 weight 1.000 ! spec=nnoesy, no=460, id=448, vol=2.568000e+05 assign (segid " " and resid 66 and name HN) (segid " " and resid 64 and name HB1) 2.395 0.717 0.717 weight 1.000 ! spec=nnoesy, no=461, id=449, vol=2.078000e+06 assign (segid " " and resid 66 and name HN) (segid " " and resid 69 and name HG2) 2.912 1.060 1.060 weight 1.000 ! spec=nnoesy, no=462, id=450, vol=6.437000e+05 or (segid " " and resid 66 and name HN) (segid " " and resid 69 and name HG1) assign (segid " " and resid 45 and name HN) (segid " " and resid 45 and name HA2) 2.931 1.074 1.074 weight 1.000 ! spec=nnoesy, no=463, id=451, vol=6.186000e+05 assign (segid " " and resid 45 and name HN) (segid " " and resid 74 and name HB2) 3.347 1.400 1.400 weight 1.000 ! spec=nnoesy, no=467, id=455, vol=2.792000e+05 or (segid " " and resid 45 and name HN) (segid " " and resid 74 and name HB1) or (segid " " and resid 45 and name HN) (segid " " and resid 74 and name HB3) assign (segid " " and resid 31 and name HN) (segid " " and resid 32 and name HA) 4.026 2.026 2.026 weight 1.000 ! spec=nnoesy, no=469, id=456, vol=9.213000e+04 assign (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HN) 3.979 1.979 1.979 weight 1.000 ! spec=nnoesy, no=474, id=461, vol=9.888000e+04 assign (segid " " and resid 44 and name HN) (segid " " and resid 45 and name HN) 3.937 1.938 1.938 weight 1.000 ! spec=nnoesy, no=475, id=462, vol=1.053000e+05 assign (segid " " and resid 55 and name HE1) (segid " " and resid 55 and name HN) 3.891 1.892 1.892 weight 1.000 ! spec=nnoesy, no=478, id=463, vol=1.131000e+05 assign (segid " " and resid 39 and name HN) (segid " " and resid 36 and name HD2) 3.786 1.791 1.791 weight 1.000 ! spec=nnoesy, no=480, id=465, vol=1.333000e+05 or (segid " " and resid 39 and name HN) (segid " " and resid 36 and name HD1) assign (segid " " and resid 39 and name HN) (segid " " and resid 40 and name HA) 3.957 1.957 1.957 weight 1.000 ! spec=nnoesy, no=481, id=466, vol=1.022000e+05 assign (segid " " and resid 39 and name HN) (segid " " and resid 40 and name HN) 3.028 1.146 1.146 weight 1.000 ! spec=nnoesy, no=482, id=467, vol=5.086000e+05 assign (segid " " and resid 23 and name HE1) (segid " " and resid 50 and name HG21) 3.512 1.542 1.542 weight 1.000 ! spec=nnoesy, no=487, id=471, vol=2.090000e+05 or (segid " " and resid 23 and name HE1) (segid " " and resid 50 and name HG22) or (segid " " and resid 23 and name HE1) (segid " " and resid 50 and name HG23) assign (segid " " and resid 23 and name HE1) (segid " " and resid 21 and name HB2) 2.891 1.045 1.045 weight 1.000 ! spec=nnoesy, no=488, id=472, vol=6.722000e+05 assign (segid " " and resid 23 and name HE1) (segid " " and resid 21 and name HD2) 4.277 2.287 2.287 weight 1.000 ! spec=nnoesy, no=489, id=473, vol=6.408000e+04 assign (segid " " and resid 23 and name HE1) (segid " " and resid 21 and name HE2) 3.826 1.830 1.830 weight 1.000 ! spec=nnoesy, no=490, id=474, vol=1.250000e+05 assign (segid " " and resid 23 and name HE1) (segid " " and resid 21 and name HA) 3.809 1.813 1.813 weight 1.000 ! spec=nnoesy, no=492, id=476, vol=1.285000e+05 assign (segid " " and resid 28 and name HN) (segid " " and resid 29 and name HB1) 3.789 1.794 1.794 weight 1.000 ! spec=nnoesy, no=494, id=478, vol=1.326000e+05 assign (segid " " and resid 28 and name HN) (segid " " and resid 47 and name HN) 4.269 2.278 2.278 weight 1.000 ! spec=nnoesy, no=501, id=484, vol=6.482000e+04 assign (segid " " and resid 27 and name HN) (segid " " and resid 28 and name HN) 3.433 1.473 1.473 weight 1.000 ! spec=nnoesy, no=502, id=485, vol=2.396000e+05 assign (segid " " and resid 28 and name HN) (segid " " and resid 29 and name HN) 3.346 1.400 1.400 weight 1.000 ! spec=nnoesy, no=503, id=486, vol=2.795000e+05 assign (segid " " and resid 67 and name HN) (segid " " and resid 66 and name HB1) 4.054 2.055 2.055 weight 1.000 ! spec=nnoesy, no=504, id=487, vol=8.832000e+04 assign (segid " " and resid 67 and name HN) (segid " " and resid 66 and name HB2) 4.009 2.009 2.009 weight 1.000 ! spec=nnoesy, no=505, id=488, vol=9.446000e+04 assign (segid " " and resid 67 and name HN) (segid " " and resid 68 and name HN) 3.974 1.974 1.974 weight 1.000 ! spec=nnoesy, no=506, id=489, vol=9.964000e+04 assign (segid " " and resid 70 and name HN) (segid " " and resid 67 and name HG12) 3.568 1.591 1.591 weight 1.000 ! spec=nnoesy, no=507, id=490, vol=1.901000e+05 or (segid " " and resid 70 and name HN) (segid " " and resid 67 and name HG11) or (segid " " and resid 70 and name HN) (segid " " and resid 67 and name HG13) assign (segid " " and resid 70 and name HN) (segid " " and resid 71 and name HG2) 3.831 1.835 1.835 weight 1.000 ! spec=nnoesy, no=508, id=491, vol=1.241000e+05 assign (segid " " and resid 70 and name HN) (segid " " and resid 69 and name HN) 2.546 0.810 0.810 weight 1.000 ! spec=nnoesy, no=510, id=493, vol=1.441000e+06 assign (segid " " and resid 70 and name HN) (segid " " and resid 64 and name HN) 3.965 1.966 1.966 weight 1.000 ! spec=nnoesy, no=511, id=494, vol=1.009000e+05 assign (segid " " and resid 64 and name HN) (segid " " and resid 43 and name HG21) 3.728 1.737 1.737 weight 1.000 ! spec=nnoesy, no=512, id=495, vol=1.461000e+05 or (segid " " and resid 64 and name HN) (segid " " and resid 43 and name HG22) or (segid " " and resid 64 and name HN) (segid " " and resid 43 and name HG23) assign (segid " " and resid 64 and name HN) (segid " " and resid 41 and name HB1) 3.306 1.366 1.366 weight 1.000 ! spec=nnoesy, no=513, id=496, vol=3.003000e+05 assign (segid " " and resid 64 and name HN) (segid " " and resid 41 and name HB2) 3.367 1.417 1.417 weight 1.000 ! spec=nnoesy, no=514, id=497, vol=2.692000e+05 assign (segid " " and resid 64 and name HN) (segid " " and resid 65 and name HD2) 3.683 1.696 1.696 weight 1.000 ! spec=nnoesy, no=516, id=499, vol=1.572000e+05 assign (segid " " and resid 55 and name HN) (segid " " and resid 49 and name HA) 3.149 1.240 1.240 weight 1.000 ! spec=nnoesy, no=518, id=501, vol=4.021000e+05 assign (segid " " and resid 78 and name HN) (segid " " and resid 76 and name HA) 3.865 1.867 1.867 weight 1.000 ! spec=nnoesy, no=524, id=507, vol=1.177000e+05 assign (segid " " and resid 78 and name HN) (segid " " and resid 77 and name HN) 2.625 0.862 0.862 weight 1.000 ! spec=nnoesy, no=525, id=508, vol=1.198000e+06 assign (segid " " and resid 78 and name HN) (segid " " and resid 79 and name HN) 2.625 0.861 0.861 weight 1.000 ! spec=nnoesy, no=526, id=509, vol=1.199000e+06 assign (segid " " and resid 40 and name HN) (segid " " and resid 38 and name HB1) 4.054 2.054 2.054 weight 1.000 ! spec=nnoesy, no=527, id=510, vol=8.840000e+04 assign (segid " " and resid 17 and name HN) (segid " " and resid 17 and name HD12) 2.689 0.904 0.904 weight 1.000 ! spec=nnoesy, no=529, id=511, vol=1.038000e+06 or (segid " " and resid 17 and name HN) (segid " " and resid 17 and name HD11) or (segid " " and resid 17 and name HN) (segid " " and resid 17 and name HD13) assign (segid " " and resid 46 and name HN) (segid " " and resid 74 and name HB2) 2.596 0.843 0.843 weight 1.000 ! spec=nnoesy, no=533, id=515, vol=1.281000e+06 or (segid " " and resid 46 and name HN) (segid " " and resid 74 and name HB1) or (segid " " and resid 46 and name HN) (segid " " and resid 74 and name HB3) assign (segid " " and resid 47 and name HN) (segid " " and resid 46 and name HN) 3.644 1.660 1.660 weight 1.000 ! spec=nnoesy, no=535, id=517, vol=1.675000e+05 assign (segid " " and resid 46 and name HN) (segid " " and resid 45 and name HN) 3.356 1.408 1.408 weight 1.000 ! spec=nnoesy, no=536, id=518, vol=2.744000e+05 assign (segid " " and resid 81 and name HN) (segid " " and resid 80 and name HB1) 2.731 0.932 0.932 weight 1.000 ! spec=nnoesy, no=537, id=519, vol=9.452000e+05 assign (segid " " and resid 29 and name HN) (segid " " and resid 31 and name HG12) 3.625 1.642 1.642 weight 1.000 ! spec=nnoesy, no=539, id=521, vol=1.730000e+05 or (segid " " and resid 29 and name HN) (segid " " and resid 31 and name HG11) or (segid " " and resid 29 and name HN) (segid " " and resid 31 and name HG13) assign (segid " " and resid 29 and name HN) (segid " " and resid 44 and name HB2) 3.198 1.278 1.278 weight 1.000 ! spec=nnoesy, no=540, id=522, vol=3.667000e+05 or (segid " " and resid 29 and name HN) (segid " " and resid 44 and name HB1) assign (segid " " and resid 29 and name HN) (segid " " and resid 45 and name HA1) 3.827 1.831 1.831 weight 1.000 ! spec=nnoesy, no=541, id=523, vol=1.248000e+05 assign (segid " " and resid 29 and name HN) (segid " " and resid 27 and name HA) 3.895 1.897 1.897 weight 1.000 ! spec=nnoesy, no=542, id=524, vol=1.123000e+05 assign (segid " " and resid 42 and name HN) (segid " " and resid 70 and name HB2) 3.591 1.611 1.611 weight 1.000 ! spec=nnoesy, no=544, id=526, vol=1.831000e+05 or (segid " " and resid 42 and name HN) (segid " " and resid 70 and name HB1) or (segid " " and resid 42 and name HN) (segid " " and resid 70 and name HB3) assign (segid " " and resid 42 and name HN) (segid " " and resid 42 and name HB1) 2.962 1.097 1.097 weight 1.000 ! spec=nnoesy, no=545, id=527, vol=5.810000e+05 assign (segid " " and resid 42 and name HN) (segid " " and resid 41 and name HN) 3.797 1.802 1.802 weight 1.000 ! spec=nnoesy, no=547, id=529, vol=1.309000e+05 assign (segid " " and resid 79 and name HN) (segid " " and resid 79 and name HB1) 2.571 0.826 0.826 weight 1.000 ! spec=nnoesy, no=549, id=531, vol=1.359000e+06 assign (segid " " and resid 23 and name HN) (segid " " and resid 19 and name HA) 3.063 1.173 1.173 weight 1.000 ! spec=nnoesy, no=550, id=532, vol=4.747000e+05 assign (segid " " and resid 79 and name HN) (segid " " and resid 78 and name HA) 3.502 1.533 1.533 weight 1.000 ! spec=nnoesy, no=552, id=534, vol=2.126000e+05 assign (segid " " and resid 72 and name HN) (segid " " and resid 71 and name HG2) 3.509 1.540 1.540 weight 1.000 ! spec=nnoesy, no=567, id=548, vol=2.100000e+05 assign (segid " " and resid 72 and name HN) (segid " " and resid 73 and name HN) 2.641 0.872 0.872 weight 1.000 ! spec=nnoesy, no=572, id=552, vol=1.156000e+06 assign (segid " " and resid 82 and name HN) (segid " " and resid 83 and name HN) 2.711 0.918 0.918 weight 1.000 ! spec=nnoesy, no=574, id=554, vol=9.893000e+05 assign (segid " " and resid 68 and name HN) (segid " " and resid 69 and name HN) 2.964 1.098 1.098 weight 1.000 ! spec=nnoesy, no=576, id=556, vol=5.781000e+05 assign (segid " " and resid 53 and name HN) (segid " " and resid 53 and name HB2) 3.091 1.194 1.194 weight 1.000 ! spec=nnoesy, no=577, id=557, vol=4.502000e+05 assign (segid " " and resid 53 and name HN) (segid " " and resid 52 and name HB1) 3.177 1.262 1.262 weight 1.000 ! spec=nnoesy, no=578, id=558, vol=3.816000e+05 assign (segid " " and resid 53 and name HN) (segid " " and resid 50 and name HB) 3.075 1.182 1.182 weight 1.000 ! spec=nnoesy, no=579, id=559, vol=4.639000e+05 assign (segid " " and resid 52 and name HN) (segid " " and resid 53 and name HN) 2.675 0.894 0.894 weight 1.000 ! spec=nnoesy, no=582, id=562, vol=1.071000e+06 assign (segid " " and resid 33 and name HN) (segid " " and resid 32 and name HN) 3.503 1.534 1.534 weight 1.000 ! spec=nnoesy, no=583, id=563, vol=2.123000e+05 assign (segid " " and resid 31 and name HN) (segid " " and resid 32 and name HN) 2.408 0.725 0.725 weight 1.000 ! spec=nnoesy, no=584, id=564, vol=2.013000e+06 assign (segid " " and resid 32 and name HN) (segid " " and resid 43 and name HN) 2.833 1.004 1.004 weight 1.000 ! spec=nnoesy, no=585, id=565, vol=7.581000e+05 assign (segid " " and resid 32 and name HN) (segid " " and resid 45 and name HN) 3.755 1.763 1.763 weight 1.000 ! spec=nnoesy, no=586, id=566, vol=1.399000e+05 assign (segid " " and resid 75 and name HN) (segid " " and resid 75 and name HB2) 2.242 0.628 0.628 weight 1.000 ! spec=nnoesy, no=589, id=569, vol=3.091000e+06 or (segid " " and resid 75 and name HN) (segid " " and resid 75 and name HB1) or (segid " " and resid 75 and name HN) (segid " " and resid 75 and name HB3) assign (segid " " and resid 75 and name HN) (segid " " and resid 77 and name HN) 3.716 1.726 1.726 weight 1.000 ! spec=nnoesy, no=591, id=571, vol=1.490000e+05 assign (segid " " and resid 75 and name HN) (segid " " and resid 46 and name HG12) 4.118 2.120 2.120 weight 1.000 ! spec=nnoesy, no=594, id=574, vol=8.042000e+04 or (segid " " and resid 75 and name HN) (segid " " and resid 46 and name HG11) or (segid " " and resid 75 and name HN) (segid " " and resid 46 and name HG13) assign (segid " " and resid 43 and name HN) (segid " " and resid 42 and name HN) 3.541 1.567 1.567 weight 1.000 ! spec=nnoesy, no=598, id=578, vol=1.991000e+05 assign (segid " " and resid 80 and name HN) (segid " " and resid 79 and name HB1) 2.897 1.049 1.049 weight 1.000 ! spec=nnoesy, no=602, id=582, vol=6.640000e+05 assign (segid " " and resid 80 and name HN) (segid " " and resid 76 and name HA) 3.600 1.620 1.620 weight 1.000 ! spec=nnoesy, no=603, id=583, vol=1.801000e+05 assign (segid " " and resid 80 and name HN) (segid " " and resid 77 and name HN) 3.803 1.808 1.808 weight 1.000 ! spec=nnoesy, no=604, id=584, vol=1.297000e+05 assign (segid " " and resid 80 and name HN) (segid " " and resid 79 and name HN) 2.778 0.965 0.965 weight 1.000 ! spec=nnoesy, no=605, id=585, vol=8.530000e+05 assign (segid " " and resid 48 and name HN) (segid " " and resid 55 and name HE3) 3.510 1.540 1.540 weight 1.000 ! spec=nnoesy, no=607, id=587, vol=2.099000e+05 assign (segid " " and resid 52 and name HN) (segid " " and resid 53 and name HB1) 4.004 2.004 2.004 weight 1.000 ! spec=nnoesy, no=609, id=589, vol=9.519000e+04 assign (segid " " and resid 21 and name HN) (segid " " and resid 23 and name HN) 3.395 1.441 1.441 weight 1.000 ! spec=nnoesy, no=612, id=592, vol=2.562000e+05 assign (segid " " and resid 25 and name HN) (segid " " and resid 25 and name HA) 2.889 1.044 1.044 weight 1.000 ! spec=nnoesy, no=613, id=593, vol=6.742000e+05 assign (segid " " and resid 69 and name HN) (segid " " and resid 68 and name HG1) 3.237 1.310 1.310 weight 1.000 ! spec=nnoesy, no=617, id=597, vol=3.408000e+05 assign (segid " " and resid 69 and name HN) (segid " " and resid 66 and name HB1) 3.636 1.653 1.653 weight 1.000 ! spec=nnoesy, no=618, id=598, vol=1.698000e+05 assign (segid " " and resid 69 and name HN) (segid " " and resid 66 and name HN) 3.375 1.424 1.424 weight 1.000 ! spec=nnoesy, no=619, id=599, vol=2.656000e+05 assign (segid " " and resid 22 and name HN) (segid " " and resid 23 and name HA) 3.966 1.966 1.966 weight 1.000 ! spec=nnoesy, no=622, id=602, vol=1.008000e+05 assign (segid " " and resid 22 and name HN) (segid " " and resid 20 and name HN) 3.245 1.316 1.316 weight 1.000 ! spec=nnoesy, no=623, id=603, vol=3.363000e+05 assign (segid " " and resid 22 and name HN) (segid " " and resid 23 and name HN) 2.364 0.698 0.698 weight 1.000 ! spec=nnoesy, no=624, id=604, vol=2.249000e+06 assign (segid " " and resid 62 and name HN) (segid " " and resid 64 and name HG1) 4.054 2.054 2.054 weight 1.000 ! spec=nnoesy, no=626, id=606, vol=8.843000e+04 assign (segid " " and resid 62 and name HN) (segid " " and resid 64 and name HG2) 3.848 1.851 1.851 weight 1.000 ! spec=nnoesy, no=627, id=607, vol=1.209000e+05 assign (segid " " and resid 62 and name HN) (segid " " and resid 61 and name HN) 3.304 1.364 1.364 weight 1.000 ! spec=nnoesy, no=629, id=608, vol=3.018000e+05 assign (segid " " and resid 50 and name HN) (segid " " and resid 49 and name HB1) 3.127 1.222 1.222 weight 1.000 ! spec=nnoesy, no=630, id=609, vol=4.199000e+05 assign (segid " " and resid 50 and name HN) (segid " " and resid 54 and name HA1) 3.281 1.345 1.345 weight 1.000 ! spec=nnoesy, no=631, id=610, vol=3.146000e+05 assign (segid " " and resid 56 and name HN) (segid " " and resid 50 and name HN) 3.201 1.281 1.281 weight 1.000 ! spec=nnoesy, no=638, id=617, vol=3.645000e+05 assign (segid " " and resid 56 and name HN) (segid " " and resid 49 and name HB1) 4.286 2.296 2.296 weight 1.000 ! spec=nnoesy, no=640, id=619, vol=6.331000e+04 assign (segid " " and resid 56 and name HN) (segid " " and resid 47 and name HD2) 3.698 1.710 1.710 weight 1.000 ! spec=nnoesy, no=642, id=621, vol=1.533000e+05 or (segid " " and resid 56 and name HN) (segid " " and resid 47 and name HD1) assign (segid " " and resid 48 and name HN) (segid " " and resid 56 and name HN) 2.836 1.006 1.006 weight 1.000 ! spec=nnoesy, no=644, id=623, vol=7.536000e+05 assign (segid " " and resid 55 and name HN) (segid " " and resid 56 and name HN) 3.339 1.393 1.393 weight 1.000 ! spec=nnoesy, no=645, id=624, vol=2.833000e+05 assign (segid " " and resid 61 and name HN) (segid " " and resid 44 and name HB2) 3.939 1.939 1.939 weight 1.000 ! spec=nnoesy, no=646, id=625, vol=1.051000e+05 or (segid " " and resid 61 and name HN) (segid " " and resid 44 and name HB1) assign (segid " " and resid 44 and name HN) (segid " " and resid 61 and name HN) 3.634 1.651 1.651 weight 1.000 ! spec=nnoesy, no=647, id=626, vol=1.703000e+05 assign (segid " " and resid 73 and name HN) (segid " " and resid 76 and name HG22) 3.690 1.702 1.702 weight 1.000 ! spec=nnoesy, no=648, id=627, vol=1.553000e+05 or (segid " " and resid 73 and name HN) (segid " " and resid 76 and name HG21) or (segid " " and resid 73 and name HN) (segid " " and resid 76 and name HG23) assign (segid " " and resid 34 and name HN) (segid " " and resid 40 and name HG2) 3.441 1.480 1.480 weight 1.000 ! spec=nnoesy, no=653, id=632, vol=2.363000e+05 assign (segid " " and resid 34 and name HN) (segid " " and resid 40 and name HE1) 4.125 2.127 2.127 weight 1.000 ! spec=nnoesy, no=656, id=635, vol=7.964000e+04 assign (segid " " and resid 34 and name HN) (segid " " and resid 40 and name HA) 3.734 1.743 1.743 weight 1.000 ! spec=nnoesy, no=657, id=636, vol=1.447000e+05 assign (segid " " and resid 34 and name HN) (segid " " and resid 42 and name HA) 3.550 1.575 1.575 weight 1.000 ! spec=nnoesy, no=658, id=637, vol=1.961000e+05 assign (segid " " and resid 54 and name HN) (segid " " and resid 50 and name HA) 3.822 1.826 1.826 weight 1.000 ! spec=nnoesy, no=660, id=639, vol=1.258000e+05 assign (segid " " and resid 54 and name HN) (segid " " and resid 55 and name HN) 3.234 1.307 1.307 weight 1.000 ! spec=nnoesy, no=662, id=641, vol=3.429000e+05 assign (segid " " and resid 52 and name HN) (segid " " and resid 54 and name HN) 3.502 1.533 1.533 weight 1.000 ! spec=nnoesy, no=663, id=642, vol=2.127000e+05 assign (segid " " and resid 66 and name HN) (segid " " and resid 67 and name HG12) 3.905 1.906 1.906 weight 1.000 ! spec=nnoesy, no=664, id=643, vol=1.106000e+05 or (segid " " and resid 66 and name HN) (segid " " and resid 67 and name HG11) or (segid " " and resid 66 and name HN) (segid " " and resid 67 and name HG13) assign (segid " " and resid 66 and name HN) (segid " " and resid 69 and name HD2) 2.539 0.806 0.806 weight 1.000 ! spec=nnoesy, no=665, id=644, vol=1.463000e+06 or (segid " " and resid 66 and name HN) (segid " " and resid 69 and name HD1) assign (segid " " and resid 66 and name HN) (segid " " and resid 65 and name HB2) 3.743 1.751 1.751 weight 1.000 ! spec=nnoesy, no=666, id=645, vol=1.427000e+05 assign (segid " " and resid 66 and name HN) (segid " " and resid 67 and name HN) 3.966 1.966 1.966 weight 1.000 ! spec=nnoesy, no=670, id=647, vol=1.008000e+05 assign (segid " " and resid 45 and name HN) (segid " " and resid 29 and name HA) 3.955 1.955 1.955 weight 1.000 ! spec=nnoesy, no=672, id=649, vol=1.025000e+05 assign (segid " " and resid 31 and name HN) (segid " " and resid 45 and name HN) 3.214 1.291 1.291 weight 1.000 ! spec=nnoesy, no=675, id=652, vol=3.560000e+05 assign (segid " " and resid 57 and name HN) (segid " " and resid 56 and name HN) 3.705 1.716 1.716 weight 1.000 ! spec=nnoesy, no=680, id=656, vol=1.516000e+05 assign (segid " " and resid 23 and name HE3) (segid " " and resid 24 and name HG2) 3.794 1.800 1.800 weight 1.000 ! spec=2doesy, no=22, id=1487, vol=4.736000e+04 or (segid " " and resid 23 and name HE3) (segid " " and resid 24 and name HG1) or (segid " " and resid 23 and name HE3) (segid " " and resid 49 and name HB2) or (segid " " and resid 23 and name HE3) (segid " " and resid 82 and name HB2) assign (segid " " and resid 23 and name HE3) (segid " " and resid 21 and name HD2) 3.751 1.758 1.758 weight 1.000 ! spec=2doesy, no=30, id=1492, vol=5.078000e+04 or (segid " " and resid 23 and name HE3) (segid " " and resid 78 and name HD22) or (segid " " and resid 23 and name HE3) (segid " " and resid 78 and name HD21) or (segid " " and resid 23 and name HE3) (segid " " and resid 78 and name HD23) assign (segid " " and resid 23 and name HE3) (segid " " and resid 82 and name HD22) 3.068 1.176 1.176 weight 1.000 ! spec=2doesy, no=34, id=1496, vol=1.696000e+05 or (segid " " and resid 23 and name HE3) (segid " " and resid 82 and name HD21) or (segid " " and resid 23 and name HE3) (segid " " and resid 82 and name HD23) or (segid " " and resid 23 and name HE3) (segid " " and resid 82 and name HD12) or (segid " " and resid 23 and name HE3) (segid " " and resid 82 and name HD11) or (segid " " and resid 23 and name HE3) (segid " " and resid 82 and name HD13) assign (segid " " and resid 42 and name HD1) (segid " " and resid 30 and name HB1) 3.747 1.755 1.755 weight 1.000 ! spec=2doesy, no=106, id=1534, vol=5.111000e+04 or (segid " " and resid 42 and name HD2) (segid " " and resid 30 and name HB1) or (segid " " and resid 44 and name HD1) (segid " " and resid 30 and name HB1) or (segid " " and resid 44 and name HD2) (segid " " and resid 30 and name HB1) assign (segid " " and resid 28 and name HD1) (segid " " and resid 25 and name HE2) 3.994 1.994 1.994 weight 1.000 ! spec=2doesy, no=109, id=1537, vol=3.483000e+04 or (segid " " and resid 28 and name HD1) (segid " " and resid 25 and name HE1) or (segid " " and resid 28 and name HD1) (segid " " and resid 25 and name HE3) or (segid " " and resid 28 and name HD2) (segid " " and resid 25 and name HE2) or (segid " " and resid 28 and name HD2) (segid " " and resid 25 and name HE1) or (segid " " and resid 28 and name HD2) (segid " " and resid 25 and name HE3) or (segid " " and resid 42 and name HD1) (segid " " and resid 64 and name HE2) or (segid " " and resid 42 and name HD1) (segid " " and resid 64 and name HE1) or (segid " " and resid 42 and name HD1) (segid " " and resid 64 and name HE3) or (segid " " and resid 42 and name HD2) (segid " " and resid 64 and name HE2) or (segid " " and resid 42 and name HD2) (segid " " and resid 64 and name HE1) or (segid " " and resid 42 and name HD2) (segid " " and resid 64 and name HE3) assign (segid " " and resid 55 and name HZ3) (segid " " and resid 24 and name HG2) 3.983 1.983 1.983 weight 1.000 ! spec=2doesy, no=119, id=1541, vol=3.539000e+04 or (segid " " and resid 55 and name HZ3) (segid " " and resid 24 and name HG1) or (segid " " and resid 55 and name HZ3) (segid " " and resid 49 and name HB2) assign (segid " " and resid 55 and name HZ2) (segid " " and resid 24 and name HG2) 3.574 1.597 1.597 weight 1.000 ! spec=2doesy, no=120, id=1542, vol=6.780000e+04 or (segid " " and resid 55 and name HZ2) (segid " " and resid 24 and name HG1) or (segid " " and resid 55 and name HZ2) (segid " " and resid 49 and name HB2) assign (segid " " and resid 55 and name HH2) (segid " " and resid 24 and name HG2) 3.499 1.530 1.530 weight 1.000 ! spec=2doesy, no=121, id=1543, vol=7.701000e+04 or (segid " " and resid 55 and name HH2) (segid " " and resid 24 and name HG1) or (segid " " and resid 55 and name HH2) (segid " " and resid 49 and name HB2) assign (segid " " and resid 23 and name HD1) (segid " " and resid 24 and name HG2) 3.645 1.661 1.661 weight 1.000 ! spec=2doesy, no=122, id=1544, vol=6.024000e+04 or (segid " " and resid 23 and name HD1) (segid " " and resid 24 and name HG1) or (segid " " and resid 23 and name HD1) (segid " " and resid 49 and name HB2) assign (segid " " and resid 42 and name HE1) (segid " " and resid 33 and name HB2) 2.879 1.036 1.036 weight 1.000 ! spec=2doesy, no=138, id=1549, vol=2.484000e+05 or (segid " " and resid 42 and name HE1) (segid " " and resid 33 and name HB1) or (segid " " and resid 42 and name HE2) (segid " " and resid 33 and name HB2) or (segid " " and resid 42 and name HE2) (segid " " and resid 33 and name HB1) or (segid " " and resid 42 and name HE1) (segid " " and resid 70 and name HB2) or (segid " " and resid 42 and name HE1) (segid " " and resid 70 and name HB1) or (segid " " and resid 42 and name HE1) (segid " " and resid 70 and name HB3) or (segid " " and resid 42 and name HE2) (segid " " and resid 70 and name HB2) or (segid " " and resid 42 and name HE2) (segid " " and resid 70 and name HB1) or (segid " " and resid 42 and name HE2) (segid " " and resid 70 and name HB3) or (segid " " and resid 44 and name HE1) (segid " " and resid 70 and name HB2) or (segid " " and resid 44 and name HE1) (segid " " and resid 70 and name HB1) or (segid " " and resid 44 and name HE1) (segid " " and resid 70 and name HB3) or (segid " " and resid 44 and name HE2) (segid " " and resid 70 and name HB2) or (segid " " and resid 44 and name HE2) (segid " " and resid 70 and name HB1) or (segid " " and resid 44 and name HE2) (segid " " and resid 70 and name HB3) assign (segid " " and resid 44 and name HD1) (segid " " and resid 70 and name HB2) 2.280 0.650 0.650 weight 1.000 ! spec=2doesy, no=140, id=1550, vol=1.007000e+06 or (segid " " and resid 44 and name HD1) (segid " " and resid 70 and name HB1) or (segid " " and resid 44 and name HD1) (segid " " and resid 70 and name HB3) or (segid " " and resid 44 and name HD2) (segid " " and resid 70 and name HB2) or (segid " " and resid 44 and name HD2) (segid " " and resid 70 and name HB1) or (segid " " and resid 44 and name HD2) (segid " " and resid 70 and name HB3) or (segid " " and resid 42 and name HD1) (segid " " and resid 70 and name HB2) or (segid " " and resid 42 and name HD1) (segid " " and resid 70 and name HB1) or (segid " " and resid 42 and name HD1) (segid " " and resid 70 and name HB3) or (segid " " and resid 42 and name HD2) (segid " " and resid 70 and name HB2) or (segid " " and resid 42 and name HD2) (segid " " and resid 70 and name HB1) or (segid " " and resid 42 and name HD2) (segid " " and resid 70 and name HB3) assign (segid " " and resid 28 and name HD1) (segid " " and resid 26 and name HB2) 2.603 0.847 0.847 weight 1.000 ! 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