Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
577931 | 2ru9 RC | 11555 | cing | 1-original | 5 | XPLOR/CNS | distance | NOE | simple |
assign (segid " " and resid 14 and name HD11) (segid " " and resid 44 and name HD2) 3.993 1.993 1.993 weight 1.000 ! spec=2D Nnoesy, no=3, id=1902, vol=3.690000e-01 assign (segid " " and resid 4 and name HB1) (segid " " and resid 6 and name HE2) 4.203 2.209 2.209 weight 1.000 ! spec=2D Nnoesy, no=4, id=1903, vol=1.644000e+00 assign (segid " " and resid 5 and name HG1) (segid " " and resid 6 and name HE2) 4.261 2.269 2.269 weight 1.000 ! spec=2D Nnoesy, no=5, id=1904, vol=1.926000e+00 assign (segid " " and resid 62 and name HB2) (segid " " and resid 58 and name HD1) 4.056 2.056 2.056 weight 1.000 ! spec=2D Nnoesy, no=6, id=1905, vol=7.100000e+04 assign (segid " " and resid 59 and name HB2) (segid " " and resid 58 and name HD1) 3.646 3.646 2.354 weight 1.000 ! spec=2D Nnoesy, no=7, id=1906, vol=1.810000e+06 assign (segid " " and resid 4 and name HB2) (segid " " and resid 6 and name HE2) 4.414 2.436 2.436 weight 1.000 ! spec=2D Nnoesy, no=9, id=1908, vol=2.278000e+00 assign (segid " " and resid 61 and name HG2) (segid " " and resid 58 and name HD1) 3.774 3.774 2.226 weight 1.000 ! spec=2D Nnoesy, no=10, id=1909, vol=6.290000e+05 assign (segid " " and resid 59 and name HG2) (segid " " and resid 58 and name HD1) 4.028 2.028 2.028 weight 1.000 ! spec=2D Nnoesy, no=11, id=1910, vol=4.550000e+05 assign (segid " " and resid 59 and name HA) (segid " " and resid 58 and name HD1) 3.714 1.725 1.725 weight 1.000 ! spec=2D Nnoesy, no=13, id=1912, vol=3.970000e+05 assign (segid " " and resid 47 and name HE2) (segid " " and resid 11 and name HD1) 4.238 2.245 2.245 weight 1.000 ! spec=2D Nnoesy, no=15, id=1914, vol=1.160000e+06 assign (segid " " and resid 47 and name HE2) (segid " " and resid 45 and name HB2) 3.759 1.767 1.767 weight 1.000 ! spec=2D Nnoesy, no=16, id=1915, vol=1.050000e+06 assign (segid " " and resid 47 and name HE2) (segid " " and resid 38 and name HB1) 4.131 2.134 2.134 weight 1.000 ! spec=2D Nnoesy, no=17, id=1916, vol=9.210000e+05 assign (segid " " and resid 47 and name HE2) (segid " " and resid 11 and name HD2) 3.627 1.644 1.644 weight 1.000 ! spec=2D Nnoesy, no=18, id=1917, vol=1.670000e+06 assign (segid " " and resid 47 and name HE2) (segid " " and resid 40 and name HB1) 2.839 1.007 1.007 weight 1.000 ! spec=2D Nnoesy, no=19, id=1918, vol=5.470000e+06 assign (segid " " and resid 47 and name HE2) (segid " " and resid 11 and name HG1) 4.229 2.236 2.236 weight 1.000 ! spec=2D Nnoesy, no=20, id=1919, vol=7.860000e+05 assign (segid " " and resid 47 and name HD2) (segid " " and resid 38 and name HB1) 4.810 2.892 2.892 weight 1.000 ! spec=2D Nnoesy, no=21, id=1920, vol=1.720000e+06 assign (segid " " and resid 47 and name HD2) (segid " " and resid 40 and name HB1) 3.528 1.556 1.556 weight 1.000 ! spec=2D Nnoesy, no=22, id=1921, vol=2.560000e+06 assign (segid " " and resid 47 and name HD2) (segid " " and resid 47 and name HE2) 2.667 0.889 0.889 weight 1.000 ! spec=2D Nnoesy, no=24, id=1923, vol=8.530000e+06 assign (segid " " and resid 47 and name HD2) (segid " " and resid 38 and name HD21) 3.730 1.739 1.739 weight 1.000 ! spec=2D Nnoesy, no=25, id=1924, vol=8.590000e+05 assign (segid " " and resid 6 and name HD2) (segid " " and resid 6 and name HE2) 2.444 0.747 0.747 weight 1.000 ! spec=2D Nnoesy, no=29, id=1928, vol=4.780000e+06 assign (segid " " and resid 58 and name HE1) (segid " " and resid 58 and name HD1) 2.083 0.542 0.542 weight 1.000 ! spec=2D Nnoesy, no=32, id=1931, vol=1.680000e+07 assign (segid " " and resid 44 and name HD2) (segid " " and resid 16 and name HA) 3.628 1.645 1.645 weight 1.000 ! spec=2D Nnoesy, no=33, id=1932, vol=9.810000e+06 assign (segid " " and resid 44 and name HD2) (segid " " and resid 44 and name HB1) 4.128 2.131 2.131 weight 1.000 ! spec=2D Nnoesy, no=34, id=1933, vol=1.050000e+06 assign (segid " " and resid 44 and name HD2) (segid " " and resid 44 and name HB2) 3.852 1.855 1.855 weight 1.000 ! spec=2D Nnoesy, no=35, id=1934, vol=1.280000e+06 assign (segid " " and resid 44 and name HD2) (segid " " and resid 14 and name HG21) 3.936 1.936 1.936 weight 1.000 ! spec=2D Nnoesy, no=36, id=1935, vol=3.370000e+05 assign (segid " " and resid 44 and name HD2) (segid " " and resid 14 and name HB) 3.450 1.487 1.487 weight 1.000 ! spec=2D Nnoesy, no=37, id=1936, vol=2.460000e+06 assign (segid " " and resid 44 and name HE1) (segid " " and resid 19 and name HA) 3.455 1.492 1.492 weight 1.000 ! spec=2D Nnoesy, no=38, id=1937, vol=1.300000e+06 assign (segid " " and resid 44 and name HE1) (segid " " and resid 16 and name HB1) 4.232 2.238 2.238 weight 1.000 ! spec=2D Nnoesy, no=39, id=1938, vol=3.880000e+05 assign (segid " " and resid 44 and name HE1) (segid " " and resid 16 and name HA) 3.871 1.873 1.873 weight 1.000 ! spec=2D Nnoesy, no=40, id=1939, vol=1.140000e+06 assign (segid " " and resid 44 and name HE1) (segid " " and resid 14 and name HG21) 3.783 1.789 1.789 weight 1.000 ! spec=2D Nnoesy, no=41, id=1940, vol=5.200000e+05 assign (segid " " and resid 3 and name HA) (segid " " and resid 3 and name HB2) 2.744 0.941 0.941 weight 1.000 ! spec=3D Cnoesy, no=3, id=627, vol=2.000000e+00 assign (segid " " and resid 3 and name HA) (segid " " and resid 3 and name HG2) 2.851 1.016 1.016 weight 1.000 ! spec=3D Cnoesy, no=4, id=628, vol=2.262000e+00 assign (segid " " and resid 3 and name HA) (segid " " and resid 4 and name HD2) 2.264 0.641 0.641 weight 1.000 ! spec=3D Cnoesy, no=5, id=629, vol=3.813000e+00 assign (segid " " and resid 3 and name HG2) (segid " " and resid 4 and name HD1) 3.348 1.401 1.401 weight 1.000 ! spec=3D Cnoesy, no=9, id=633, vol=1.310000e+07 assign (segid " " and resid 4 and name HB2) (segid " " and resid 4 and name HA) 2.592 0.840 0.840 weight 1.000 ! spec=3D Cnoesy, no=10, id=634, vol=2.990000e+07 assign (segid " " and resid 4 and name HB2) (segid " " and resid 4 and name HB1) 1.994 0.497 0.497 weight 1.000 ! spec=3D Cnoesy, no=11, id=635, vol=1.658000e+00 assign (segid " " and resid 4 and name HB2) (segid " " and resid 4 and name HD1) 2.814 0.990 0.990 weight 1.000 ! spec=3D Cnoesy, no=13, id=637, vol=1.630000e+07 assign (segid " " and resid 4 and name HB2) (segid " " and resid 4 and name HG2) 2.299 0.661 0.661 weight 1.000 ! spec=3D Cnoesy, no=14, id=638, vol=1.975000e+00 assign (segid " " and resid 4 and name HB1) (segid " " and resid 4 and name HA) 2.929 1.072 1.072 weight 1.000 ! spec=3D Cnoesy, no=15, id=639, vol=9.390000e+07 assign (segid " " and resid 4 and name HB1) (segid " " and resid 4 and name HD2) 3.460 1.496 1.496 weight 1.000 ! spec=3D Cnoesy, no=17, id=641, vol=9.230000e+06 assign (segid " " and resid 4 and name HB1) (segid " " and resid 4 and name HG2) 2.328 0.677 0.677 weight 1.000 ! spec=3D Cnoesy, no=18, id=642, vol=1.955000e+00 assign (segid " " and resid 4 and name HB1) (segid " " and resid 5 and name HD1) 2.826 0.999 0.999 weight 1.000 ! spec=3D Cnoesy, no=20, id=644, vol=1.880000e+07 assign (segid " " and resid 4 and name HB2) (segid " " and resid 4 and name HD2) 3.204 1.283 1.283 weight 1.000 ! spec=3D Cnoesy, no=22, id=646, vol=6.880000e+06 assign (segid " " and resid 4 and name HD2) (segid " " and resid 4 and name HG2) 2.390 0.714 0.714 weight 1.000 ! spec=3D Cnoesy, no=25, id=649, vol=2.720000e+08 assign (segid " " and resid 4 and name HD2) (segid " " and resid 7 and name HG11) 3.720 1.730 1.730 weight 1.000 ! spec=3D Cnoesy, no=26, id=650, vol=5.160000e+06 assign (segid " " and resid 3 and name HA) (segid " " and resid 4 and name HD1) 2.386 0.712 0.712 weight 1.000 ! spec=3D Cnoesy, no=27, id=651, vol=4.573000e+00 assign (segid " " and resid 4 and name HD1) (segid " " and resid 4 and name HB1) 2.820 0.994 0.994 weight 1.000 ! spec=3D Cnoesy, no=28, id=652, vol=1.950000e+07 assign (segid " " and resid 4 and name HD2) (segid " " and resid 4 and name HD1) 1.820 0.414 0.414 weight 1.000 ! spec=3D Cnoesy, no=29, id=653, vol=3.803000e+00 assign (segid " " and resid 4 and name HD1) (segid " " and resid 4 and name HG2) 2.242 0.628 0.628 weight 1.000 ! spec=3D Cnoesy, no=30, id=654, vol=8.270000e+07 assign (segid " " and resid 4 and name HG2) (segid " " and resid 4 and name HA) 3.168 1.255 1.255 weight 1.000 ! spec=3D Cnoesy, no=32, id=656, vol=1.960000e+07 assign (segid " " and resid 4 and name HG2) (segid " " and resid 7 and name HG11) 3.186 1.269 1.269 weight 1.000 ! spec=3D Cnoesy, no=36, id=660, vol=8.590000e-01 assign (segid " " and resid 5 and name HA) (segid " " and resid 5 and name HB2) 2.188 0.598 0.598 weight 1.000 ! spec=3D Cnoesy, no=37, id=661, vol=2.179000e+00 assign (segid " " and resid 5 and name HA) (segid " " and resid 5 and name HB1) 2.518 0.793 0.793 weight 1.000 ! spec=3D Cnoesy, no=38, id=662, vol=1.748000e+00 assign (segid " " and resid 5 and name HA) (segid " " and resid 5 and name HD2) 3.530 1.558 1.558 weight 1.000 ! spec=3D Cnoesy, no=39, id=663, vol=3.742000e+00 assign (segid " " and resid 5 and name HA) (segid " " and resid 5 and name HG1) 2.701 0.912 0.912 weight 1.000 ! spec=3D Cnoesy, no=40, id=664, vol=1.963000e+00 assign (segid " " and resid 5 and name HB2) (segid " " and resid 5 and name HG1) 2.112 0.557 0.557 weight 1.000 ! spec=3D Cnoesy, no=44, id=668, vol=1.959000e+00 assign (segid " " and resid 5 and name HB2) (segid " " and resid 5 and name HB1) 1.939 0.470 0.470 weight 1.000 ! spec=3D Cnoesy, no=46, id=670, vol=2.173000e+00 assign (segid " " and resid 5 and name HB1) (segid " " and resid 5 and name HG1) 2.122 0.322 3.878 weight 1.000 ! spec=3D Cnoesy, no=48, id=672, vol=1.955000e+00 assign (segid " " and resid 5 and name HD2) (segid " " and resid 4 and name HA) 2.315 0.670 0.670 weight 1.000 ! spec=3D Cnoesy, no=49, id=673, vol=4.627000e+00 assign (segid " " and resid 5 and name HD2) (segid " " and resid 4 and name HB2) 3.232 1.306 1.306 weight 1.000 ! spec=3D Cnoesy, no=50, id=674, vol=6.390000e+06 assign (segid " " and resid 4 and name HB1) (segid " " and resid 5 and name HD2) 3.331 1.387 1.387 weight 1.000 ! spec=3D Cnoesy, no=51, id=675, vol=1.250000e+08 assign (segid " " and resid 5 and name HB2) (segid " " and resid 5 and name HD2) 3.189 1.271 1.271 weight 1.000 ! spec=3D Cnoesy, no=52, id=676, vol=7.340000e+06 assign (segid " " and resid 5 and name HB1) (segid " " and resid 5 and name HD2) 3.262 1.330 1.330 weight 1.000 ! spec=3D Cnoesy, no=53, id=677, vol=1.790000e+08 assign (segid " " and resid 5 and name HD2) (segid " " and resid 5 and name HD1) 1.830 0.419 0.419 weight 1.000 ! spec=3D Cnoesy, no=54, id=678, vol=3.587000e+00 assign (segid " " and resid 5 and name HD2) (segid " " and resid 5 and name HG2) 2.472 0.764 0.764 weight 1.000 ! spec=3D Cnoesy, no=55, id=679, vol=2.860000e+08 assign (segid " " and resid 5 and name HD1) (segid " " and resid 4 and name HA) 2.386 0.712 0.712 weight 1.000 ! spec=3D Cnoesy, no=56, id=680, vol=4.615000e+00 assign (segid " " and resid 5 and name HD1) (segid " " and resid 4 and name HB2) 2.845 1.012 1.012 weight 1.000 ! spec=3D Cnoesy, no=57, id=681, vol=1.630000e+07 assign (segid " " and resid 5 and name HG2) (segid " " and resid 5 and name HA) 3.237 1.310 1.310 weight 1.000 ! spec=3D Cnoesy, no=59, id=683, vol=9.280000e+06 assign (segid " " and resid 5 and name HG2) (segid " " and resid 5 and name HB2) 2.288 0.655 0.655 weight 1.000 ! spec=3D Cnoesy, no=60, id=684, vol=2.169000e+00 assign (segid " " and resid 5 and name HG2) (segid " " and resid 5 and name HB1) 2.304 0.664 0.664 weight 1.000 ! spec=3D Cnoesy, no=61, id=685, vol=1.757000e+00 assign (segid " " and resid 6 and name HA) (segid " " and resid 6 and name HB2) 2.279 0.649 0.649 weight 1.000 ! spec=3D Cnoesy, no=65, id=689, vol=3.036000e+00 assign (segid " " and resid 6 and name HB2) (segid " " and resid 6 and name HD2) 2.484 0.772 0.772 weight 1.000 ! spec=3D Cnoesy, no=67, id=691, vol=4.020000e+07 assign (segid " " and resid 6 and name HB2) (segid " " and resid 7 and name HG11) 3.681 1.694 1.694 weight 1.000 ! spec=3D Cnoesy, no=68, id=692, vol=6.690000e+06 assign (segid " " and resid 6 and name HB2) (segid " " and resid 53 and name HD2) 3.673 1.687 1.687 weight 1.000 ! spec=3D Cnoesy, no=69, id=693, vol=5.660000e+06 assign (segid " " and resid 6 and name HB2) (segid " " and resid 53 and name HG2) 3.395 1.441 1.441 weight 1.000 ! spec=3D Cnoesy, no=70, id=694, vol=1.450000e+07 assign (segid " " and resid 7 and name HA) (segid " " and resid 51 and name HA) 2.801 0.981 0.981 weight 1.000 ! spec=3D Cnoesy, no=72, id=696, vol=4.753000e+00 assign (segid " " and resid 7 and name HB) (segid " " and resid 7 and name HA) 3.156 1.245 1.245 weight 1.000 ! spec=3D Cnoesy, no=73, id=697, vol=1.520000e+07 assign (segid " " and resid 4 and name HD1) (segid " " and resid 7 and name HG11) 2.710 0.918 0.918 weight 1.000 ! spec=3D Cnoesy, no=75, id=699, vol=5.670000e+08 assign (segid " " and resid 7 and name HA) (segid " " and resid 7 and name HG11) 2.459 0.756 0.756 weight 1.000 ! spec=3D Cnoesy, no=76, id=700, vol=3.180000e+07 assign (segid " " and resid 7 and name HB) (segid " " and resid 7 and name HG11) 2.101 0.552 0.552 weight 1.000 ! spec=3D Cnoesy, no=77, id=701, vol=1.973000e+00 assign (segid " " and resid 7 and name HG11) (segid " " and resid 35 and name HE1) 3.134 1.228 1.228 weight 1.000 ! spec=3D Cnoesy, no=78, id=702, vol=4.680000e+08 assign (segid " " and resid 7 and name HG11) (segid " " and resid 35 and name HD2) 2.545 0.745 3.455 weight 1.000 ! spec=3D Cnoesy, no=79, id=703, vol=1.605000e+00 assign (segid " " and resid 7 and name HG11) (segid " " and resid 35 and name HB1) 2.715 0.921 0.921 weight 1.000 ! spec=3D Cnoesy, no=80, id=704, vol=1.451000e+00 assign (segid " " and resid 8 and name HB2) (segid " " and resid 8 and name HA) 2.580 0.832 0.832 weight 1.000 ! spec=3D Cnoesy, no=81, id=705, vol=4.675000e+00 assign (segid " " and resid 8 and name HB2) (segid " " and resid 10 and name HD21) 3.058 1.169 1.169 weight 1.000 ! spec=3D Cnoesy, no=82, id=706, vol=7.860000e-01 assign (segid " " and resid 8 and name HB2) (segid " " and resid 50 and name HB) 3.468 1.503 1.503 weight 1.000 ! spec=3D Cnoesy, no=83, id=707, vol=4.270000e+08 assign (segid " " and resid 8 and name HB2) (segid " " and resid 50 and name HG12) 3.166 1.253 1.253 weight 1.000 ! spec=3D Cnoesy, no=85, id=709, vol=4.290000e+08 assign (segid " " and resid 8 and name HB2) (segid " " and resid 50 and name HG11) 3.108 1.208 1.208 weight 1.000 ! spec=3D Cnoesy, no=86, id=710, vol=8.910000e-01 assign (segid " " and resid 9 and name HA) (segid " " and resid 10 and name HG) 3.048 1.161 1.161 weight 1.000 ! spec=3D Cnoesy, no=88, id=712, vol=1.538000e+00 assign (segid " " and resid 9 and name HA) (segid " " and resid 9 and name HB2) 2.504 0.784 0.784 weight 1.000 ! spec=3D Cnoesy, no=89, id=713, vol=7.190000e+07 assign (segid " " and resid 9 and name HB2) (segid " " and resid 11 and name HB2) 3.185 1.385 2.815 weight 1.000 ! spec=3D Cnoesy, no=90, id=714, vol=3.930000e+08 assign (segid " " and resid 9 and name HB2) (segid " " and resid 49 and name HD2) 3.371 1.571 2.629 weight 1.000 ! spec=3D Cnoesy, no=91, id=715, vol=3.980000e+08 assign (segid " " and resid 9 and name HB2) (segid " " and resid 49 and name HE2) 3.364 1.415 1.415 weight 1.000 ! spec=3D Cnoesy, no=92, id=716, vol=2.750000e+07 assign (segid " " and resid 9 and name HB2) (segid " " and resid 49 and name HG1) 3.534 1.562 1.562 weight 1.000 ! spec=3D Cnoesy, no=93, id=717, vol=8.780000e+06 assign (segid " " and resid 10 and name HB2) (segid " " and resid 10 and name HA) 2.901 1.052 1.052 weight 1.000 ! spec=3D Cnoesy, no=94, id=718, vol=3.850000e+08 assign (segid " " and resid 10 and name HB2) (segid " " and resid 10 and name HD11) 2.467 0.760 0.760 weight 1.000 ! spec=3D Cnoesy, no=96, id=720, vol=2.970000e+08 assign (segid " " and resid 10 and name HB2) (segid " " and resid 12 and name HG12) 3.413 1.456 1.456 weight 1.000 ! spec=3D Cnoesy, no=98, id=722, vol=1.670000e+08 assign (segid " " and resid 10 and name HB2) (segid " " and resid 12 and name HG11) 3.664 1.678 1.678 weight 1.000 ! spec=3D Cnoesy, no=99, id=723, vol=2.090000e+08 assign (segid " " and resid 10 and name HB2) (segid " " and resid 47 and name HA) 3.771 1.778 1.778 weight 1.000 ! spec=3D Cnoesy, no=100, id=724, vol=1.300000e+07 assign (segid " " and resid 10 and name HB1) (segid " " and resid 10 and name HA) 3.005 1.129 1.129 weight 1.000 ! spec=3D Cnoesy, no=102, id=726, vol=4.050000e+08 assign (segid " " and resid 10 and name HB2) (segid " " and resid 10 and name HB1) 1.931 0.466 0.466 weight 1.000 ! spec=3D Cnoesy, no=103, id=727, vol=2.670000e+09 assign (segid " " and resid 10 and name HB1) (segid " " and resid 10 and name HD11) 2.515 0.791 0.791 weight 1.000 ! spec=3D Cnoesy, no=104, id=728, vol=3.860000e+08 assign (segid " " and resid 10 and name HB1) (segid " " and resid 12 and name HG12) 3.559 1.583 1.583 weight 1.000 ! spec=3D Cnoesy, no=106, id=730, vol=1.650000e+08 assign (segid " " and resid 10 and name HB1) (segid " " and resid 12 and name HG11) 3.742 1.751 1.751 weight 1.000 ! spec=3D Cnoesy, no=107, id=731, vol=1.890000e+08 assign (segid " " and resid 10 and name HB1) (segid " " and resid 47 and name HA) 3.837 1.840 1.840 weight 1.000 ! spec=3D Cnoesy, no=108, id=732, vol=3.010000e+06 assign (segid " " and resid 10 and name HB1) (segid " " and resid 48 and name HB) 3.191 1.273 1.273 weight 1.000 ! spec=3D Cnoesy, no=109, id=733, vol=7.160000e+07 assign (segid " " and resid 10 and name HD11) (segid " " and resid 61 and name HB1) 2.869 1.029 1.029 weight 1.000 ! spec=3D Cnoesy, no=115, id=739, vol=1.978000e+00 assign (segid " " and resid 10 and name HD21) (segid " " and resid 10 and name HA) 2.584 0.835 0.835 weight 1.000 ! spec=3D Cnoesy, no=118, id=742, vol=1.680000e+08 assign (segid " " and resid 10 and name HD21) (segid " " and resid 57 and name HA) 2.905 1.055 1.055 weight 1.000 ! spec=3D Cnoesy, no=119, id=743, vol=9.000000e+06 assign (segid " " and resid 10 and name HG) (segid " " and resid 10 and name HA) 3.368 1.418 1.418 weight 1.000 ! spec=3D Cnoesy, no=122, id=746, vol=4.060000e+08 assign (segid " " and resid 11 and name HA) (segid " " and resid 11 and name HB2) 2.730 0.932 0.932 weight 1.000 ! spec=3D Cnoesy, no=123, id=747, vol=1.427000e+00 assign (segid " " and resid 11 and name HA) (segid " " and resid 11 and name HB1) 2.855 1.019 1.019 weight 1.000 ! spec=3D Cnoesy, no=124, id=748, vol=1.644000e+00 assign (segid " " and resid 11 and name HA) (segid " " and resid 47 and name HA) 2.765 0.956 0.956 weight 1.000 ! spec=3D Cnoesy, no=126, id=750, vol=5.115000e+00 assign (segid " " and resid 11 and name HB2) (segid " " and resid 11 and name HB1) 2.263 0.640 0.640 weight 1.000 ! spec=3D Cnoesy, no=128, id=752, vol=1.635000e+00 assign (segid " " and resid 11 and name HB2) (segid " " and resid 11 and name HD2) 3.176 1.261 1.261 weight 1.000 ! spec=3D Cnoesy, no=129, id=753, vol=7.470000e+07 assign (segid " " and resid 11 and name HB1) (segid " " and resid 11 and name HD2) 2.579 0.832 0.832 weight 1.000 ! spec=3D Cnoesy, no=139, id=763, vol=1.030000e+09 assign (segid " " and resid 11 and name HD2) (segid " " and resid 11 and name HG2) 2.825 0.997 0.997 weight 1.000 ! spec=3D Cnoesy, no=140, id=764, vol=3.410000e+08 assign (segid " " and resid 11 and name HD2) (segid " " and resid 11 and name HG1) 2.881 1.037 1.037 weight 1.000 ! spec=3D Cnoesy, no=141, id=765, vol=2.970000e+08 assign (segid " " and resid 11 and name HB2) (segid " " and resid 11 and name HD1) 2.876 1.034 1.034 weight 1.000 ! spec=3D Cnoesy, no=142, id=766, vol=2.520000e+07 assign (segid " " and resid 11 and name HB1) (segid " " and resid 11 and name HD1) 2.831 1.002 1.002 weight 1.000 ! spec=3D Cnoesy, no=143, id=767, vol=2.210000e+07 assign (segid " " and resid 11 and name HD1) (segid " " and resid 11 and name HD2) 1.905 0.454 0.454 weight 1.000 ! spec=3D Cnoesy, no=144, id=768, vol=3.122000e+00 assign (segid " " and resid 11 and name HD1) (segid " " and resid 11 and name HG2) 2.874 1.032 1.032 weight 1.000 ! spec=3D Cnoesy, no=145, id=769, vol=3.710000e+08 assign (segid " " and resid 11 and name HD1) (segid " " and resid 11 and name HG1) 2.902 1.053 1.053 weight 1.000 ! spec=3D Cnoesy, no=146, id=770, vol=1.110000e+08 assign (segid " " and resid 11 and name HG2) (segid " " and resid 11 and name HA) 3.216 1.293 1.293 weight 1.000 ! spec=3D Cnoesy, no=147, id=771, vol=1.530000e+07 assign (segid " " and resid 11 and name HB2) (segid " " and resid 11 and name HG2) 2.930 1.073 1.073 weight 1.000 ! spec=3D Cnoesy, no=148, id=772, vol=1.416000e+00 assign (segid " " and resid 11 and name HB1) (segid " " and resid 11 and name HG2) 2.862 1.024 1.024 weight 1.000 ! spec=3D Cnoesy, no=149, id=773, vol=1.629000e+00 assign (segid " " and resid 11 and name HG2) (segid " " and resid 11 and name HG1) 2.310 0.667 0.667 weight 1.000 ! spec=3D Cnoesy, no=152, id=776, vol=5.380000e-01 assign (segid " " and resid 11 and name HA) (segid " " and resid 11 and name HG1) 3.142 1.234 1.234 weight 1.000 ! spec=3D Cnoesy, no=154, id=778, vol=1.740000e+07 assign (segid " " and resid 11 and name HB2) (segid " " and resid 11 and name HG1) 2.957 1.093 1.093 weight 1.000 ! spec=3D Cnoesy, no=155, id=779, vol=1.425000e+00 assign (segid " " and resid 11 and name HB1) (segid " " and resid 11 and name HG1) 3.067 1.176 1.176 weight 1.000 ! spec=3D Cnoesy, no=156, id=780, vol=2.360000e+07 assign (segid " " and resid 12 and name HA) (segid " " and resid 12 and name HB) 2.936 1.077 1.077 weight 1.000 ! spec=3D Cnoesy, no=161, id=785, vol=1.668000e+00 assign (segid " " and resid 12 and name HA) (segid " " and resid 12 and name HG11) 3.030 1.148 1.148 weight 1.000 ! spec=3D Cnoesy, no=163, id=787, vol=1.131000e+00 assign (segid " " and resid 12 and name HA) (segid " " and resid 13 and name HB1) 3.282 1.347 1.347 weight 1.000 ! spec=3D Cnoesy, no=165, id=789, vol=1.903000e+00 assign (segid " " and resid 12 and name HB) (segid " " and resid 11 and name HA) 3.731 1.740 1.740 weight 1.000 ! spec=3D Cnoesy, no=166, id=790, vol=5.030000e+06 assign (segid " " and resid 12 and name HB) (segid " " and resid 12 and name HG21) 2.394 0.716 0.716 weight 1.000 ! spec=3D Cnoesy, no=170, id=794, vol=1.160000e+09 assign (segid " " and resid 12 and name HB) (segid " " and resid 45 and name HA) 3.809 1.814 1.814 weight 1.000 ! spec=3D Cnoesy, no=171, id=795, vol=3.520000e+06 assign (segid " " and resid 10 and name HB2) (segid " " and resid 12 and name HD11) 2.665 0.888 0.888 weight 1.000 ! spec=3D Cnoesy, no=173, id=797, vol=1.551000e+00 assign (segid " " and resid 10 and name HB1) (segid " " and resid 12 and name HD11) 2.743 0.941 0.941 weight 1.000 ! spec=3D Cnoesy, no=174, id=798, vol=1.453000e+00 assign (segid " " and resid 12 and name HD11) (segid " " and resid 12 and name HA) 2.650 0.878 0.878 weight 1.000 ! spec=3D Cnoesy, no=175, id=799, vol=1.980000e+07 assign (segid " " and resid 12 and name HD11) (segid " " and resid 12 and name HB) 2.627 0.827 3.373 weight 1.000 ! spec=3D Cnoesy, no=176, id=800, vol=1.667000e+00 assign (segid " " and resid 12 and name HD11) (segid " " and resid 12 and name HG12) 2.367 0.700 0.700 weight 1.000 ! spec=3D Cnoesy, no=177, id=801, vol=1.211000e+00 assign (segid " " and resid 12 and name HD11) (segid " " and resid 12 and name HG11) 2.335 0.682 0.682 weight 1.000 ! spec=3D Cnoesy, no=178, id=802, vol=1.130000e+00 assign (segid " " and resid 12 and name HD11) (segid " " and resid 61 and name HA) 2.821 0.995 0.995 weight 1.000 ! spec=3D Cnoesy, no=179, id=803, vol=1.030000e+07 assign (segid " " and resid 12 and name HD11) (segid " " and resid 61 and name HG2) 3.028 1.146 1.146 weight 1.000 ! spec=3D Cnoesy, no=180, id=804, vol=5.100000e+07 assign (segid " " and resid 12 and name HD11) (segid " " and resid 61 and name HG1) 2.885 1.041 1.041 weight 1.000 ! spec=3D Cnoesy, no=181, id=805, vol=2.109000e+00 assign (segid " " and resid 12 and name HD11) (segid " " and resid 48 and name HB) 2.646 0.846 3.354 weight 1.000 ! spec=3D Cnoesy, no=182, id=806, vol=1.963000e+00 assign (segid " " and resid 12 and name HG12) (segid " " and resid 11 and name HA) 4.075 2.076 2.076 weight 1.000 ! spec=3D Cnoesy, no=183, id=807, vol=1.020000e+07 assign (segid " " and resid 12 and name HA) (segid " " and resid 12 and name HG12) 2.933 1.075 1.075 weight 1.000 ! spec=3D Cnoesy, no=184, id=808, vol=5.310000e+08 assign (segid " " and resid 12 and name HB) (segid " " and resid 12 and name HG12) 2.712 0.920 0.920 weight 1.000 ! spec=3D Cnoesy, no=185, id=809, vol=1.668000e+00 assign (segid " " and resid 12 and name HG12) (segid " " and resid 12 and name HG21) 2.426 0.626 3.574 weight 1.000 ! spec=3D Cnoesy, no=186, id=810, vol=7.580000e-01 assign (segid " " and resid 12 and name HG12) (segid " " and resid 46 and name HB1) 2.893 1.046 1.046 weight 1.000 ! spec=3D Cnoesy, no=187, id=811, vol=9.060000e-01 assign (segid " " and resid 12 and name HG11) (segid " " and resid 11 and name HA) 4.009 2.009 2.009 weight 1.000 ! spec=3D Cnoesy, no=188, id=812, vol=4.820000e+07 assign (segid " " and resid 12 and name HB) (segid " " and resid 12 and name HG11) 2.759 0.951 0.951 weight 1.000 ! spec=3D Cnoesy, no=190, id=814, vol=1.670000e+00 assign (segid " " and resid 12 and name HG11) (segid " " and resid 12 and name HG12) 1.842 0.424 0.424 weight 1.000 ! spec=3D Cnoesy, no=191, id=815, vol=1.212000e+00 assign (segid " " and resid 12 and name HG11) (segid " " and resid 46 and name HB1) 3.041 1.156 1.156 weight 1.000 ! spec=3D Cnoesy, no=193, id=817, vol=9.110000e-01 assign (segid " " and resid 12 and name HA) (segid " " and resid 12 and name HG21) 2.268 0.643 0.643 weight 1.000 ! spec=3D Cnoesy, no=194, id=818, vol=2.690000e+08 assign (segid " " and resid 12 and name HG11) (segid " " and resid 12 and name HG21) 2.480 0.769 0.769 weight 1.000 ! spec=3D Cnoesy, no=196, id=820, vol=1.145000e+00 assign (segid " " and resid 12 and name HG21) (segid " " and resid 61 and name HA) 3.256 1.325 1.325 weight 1.000 ! spec=3D Cnoesy, no=197, id=821, vol=9.160000e+07 assign (segid " " and resid 12 and name HG21) (segid " " and resid 61 and name HG2) 3.513 1.543 1.543 weight 1.000 ! spec=3D Cnoesy, no=198, id=822, vol=2.310000e+06 assign (segid " " and resid 12 and name HG21) (segid " " and resid 61 and name HG1) 2.814 0.990 0.990 weight 1.000 ! spec=3D Cnoesy, no=199, id=823, vol=2.103000e+00 assign (segid " " and resid 13 and name HA) (segid " " and resid 12 and name HG21) 3.132 1.332 2.868 weight 1.000 ! spec=3D Cnoesy, no=200, id=824, vol=7.520000e-01 assign (segid " " and resid 13 and name HA) (segid " " and resid 13 and name HB2) 2.509 0.787 0.787 weight 1.000 ! spec=3D Cnoesy, no=201, id=825, vol=1.933000e+00 assign (segid " " and resid 13 and name HA) (segid " " and resid 13 and name HG1) 2.907 1.057 1.057 weight 1.000 ! spec=3D Cnoesy, no=203, id=827, vol=2.178000e+00 assign (segid " " and resid 13 and name HA) (segid " " and resid 14 and name HB) 3.047 1.247 2.953 weight 1.000 ! spec=3D Cnoesy, no=204, id=828, vol=1.348000e+00 assign (segid " " and resid 13 and name HB1) (segid " " and resid 13 and name HA) 2.663 0.887 0.887 weight 1.000 ! spec=3D Cnoesy, no=208, id=832, vol=3.710000e+07 assign (segid " " and resid 13 and name HA) (segid " " and resid 13 and name HG2) 2.898 1.050 1.050 weight 1.000 ! spec=3D Cnoesy, no=209, id=833, vol=5.100000e+08 assign (segid " " and resid 13 and name HG1) (segid " " and resid 13 and name HG2) 1.468 0.270 0.270 weight 1.000 ! spec=3D Cnoesy, no=211, id=835, vol=2.292000e+00 assign (segid " " and resid 14 and name HA) (segid " " and resid 14 and name HD11) 3.125 1.325 2.875 weight 1.000 ! spec=3D Cnoesy, no=212, id=836, vol=3.730000e-01 assign (segid " " and resid 14 and name HA) (segid " " and resid 15 and name HD2) 2.292 0.657 0.657 weight 1.000 ! spec=3D Cnoesy, no=214, id=838, vol=3.961000e+00 assign (segid " " and resid 14 and name HA) (segid " " and resid 15 and name HG1) 3.256 1.325 1.325 weight 1.000 ! spec=3D Cnoesy, no=216, id=840, vol=1.995000e+00 assign (segid " " and resid 14 and name HB) (segid " " and resid 14 and name HA) 3.060 1.171 1.171 weight 1.000 ! spec=3D Cnoesy, no=217, id=841, vol=2.370000e+07 assign (segid " " and resid 14 and name HB) (segid " " and resid 14 and name HD11) 2.746 0.943 0.943 weight 1.000 ! spec=3D Cnoesy, no=218, id=842, vol=3.350000e+07 assign (segid " " and resid 14 and name HB) (segid " " and resid 45 and name HA) 3.554 1.579 1.579 weight 1.000 ! spec=3D Cnoesy, no=222, id=846, vol=7.530000e+06 assign (segid " " and resid 14 and name HD11) (segid " " and resid 14 and name HG12) 2.202 0.606 0.606 weight 1.000 ! spec=3D Cnoesy, no=223, id=847, vol=1.364000e+00 assign (segid " " and resid 14 and name HD11) (segid " " and resid 20 and name HA) 2.541 0.807 0.807 weight 1.000 ! spec=3D Cnoesy, no=224, id=848, vol=2.950000e+07 assign (segid " " and resid 14 and name HD11) (segid " " and resid 24 and name HD11) 1.946 0.473 0.473 weight 1.000 ! spec=3D Cnoesy, no=225, id=849, vol=7.810000e-01 assign (segid " " and resid 14 and name HD11) (segid " " and resid 44 and name HA) 3.299 1.361 1.361 weight 1.000 ! spec=3D Cnoesy, no=226, id=850, vol=5.680000e+06 assign (segid " " and resid 14 and name HD11) (segid " " and resid 45 and name HA) 2.878 1.036 1.036 weight 1.000 ! spec=3D Cnoesy, no=227, id=851, vol=1.270000e+07 assign (segid " " and resid 14 and name HD11) (segid " " and resid 46 and name HB1) 2.125 0.325 3.875 weight 1.000 ! spec=3D Cnoesy, no=228, id=852, vol=9.140000e-01 assign (segid " " and resid 14 and name HG12) (segid " " and resid 14 and name HG11) 2.057 0.529 0.529 weight 1.000 ! spec=3D Cnoesy, no=230, id=854, vol=7.020000e-01 assign (segid " " and resid 14 and name HG11) (segid " " and resid 14 and name HA) 3.036 1.152 1.152 weight 1.000 ! spec=3D Cnoesy, no=232, id=856, vol=4.263000e+00 assign (segid " " and resid 14 and name HG11) (segid " " and resid 14 and name HD11) 2.536 0.804 0.804 weight 1.000 ! spec=3D Cnoesy, no=233, id=857, vol=3.690000e-01 assign (segid " " and resid 14 and name HG11) (segid " " and resid 45 and name HA) 3.169 1.256 1.256 weight 1.000 ! spec=3D Cnoesy, no=235, id=859, vol=5.119000e+00 assign (segid " " and resid 14 and name HA) (segid " " and resid 14 and name HG21) 2.335 0.682 0.682 weight 1.000 ! spec=3D Cnoesy, no=236, id=860, vol=1.680000e+08 assign (segid " " and resid 14 and name HB) (segid " " and resid 14 and name HG21) 2.120 0.562 0.562 weight 1.000 ! spec=3D Cnoesy, no=237, id=861, vol=1.344000e+00 assign (segid " " and resid 14 and name HG21) (segid " " and resid 14 and name HD11) 2.208 0.408 3.792 weight 1.000 ! spec=3D Cnoesy, no=238, id=862, vol=3.660000e-01 assign (segid " " and resid 15 and name HA) (segid " " and resid 14 and name HG21) 3.220 1.296 1.296 weight 1.000 ! spec=3D Cnoesy, no=240, id=864, vol=7.810000e-01 assign (segid " " and resid 15 and name HA) (segid " " and resid 15 and name HB2) 2.300 0.661 0.661 weight 1.000 ! spec=3D Cnoesy, no=241, id=865, vol=2.461000e+00 assign (segid " " and resid 15 and name HA) (segid " " and resid 15 and name HB1) 2.619 0.857 0.857 weight 1.000 ! spec=3D Cnoesy, no=242, id=866, vol=1.854000e+00 assign (segid " " and resid 15 and name HA) (segid " " and resid 15 and name HD2) 3.260 1.329 1.329 weight 1.000 ! spec=3D Cnoesy, no=243, id=867, vol=3.956000e+00 assign (segid " " and resid 15 and name HA) (segid " " and resid 15 and name HG2) 2.695 0.908 0.908 weight 1.000 ! spec=3D Cnoesy, no=244, id=868, vol=2.023000e+00 assign (segid " " and resid 15 and name HB2) (segid " " and resid 14 and name HG21) 3.387 1.434 1.434 weight 1.000 ! spec=3D Cnoesy, no=247, id=871, vol=3.550000e+07 assign (segid " " and resid 15 and name HB2) (segid " " and resid 15 and name HB1) 2.049 0.525 0.525 weight 1.000 ! spec=3D Cnoesy, no=249, id=873, vol=1.858000e+00 assign (segid " " and resid 15 and name HB2) (segid " " and resid 15 and name HD2) 3.315 1.373 1.373 weight 1.000 ! spec=3D Cnoesy, no=250, id=874, vol=8.020000e+06 assign (segid " " and resid 15 and name HB2) (segid " " and resid 15 and name HD1) 3.205 1.284 1.284 weight 1.000 ! spec=3D Cnoesy, no=251, id=875, vol=9.510000e+06 assign (segid " " and resid 15 and name HB2) (segid " " and resid 15 and name HG2) 2.388 0.713 0.713 weight 1.000 ! spec=3D Cnoesy, no=252, id=876, vol=2.015000e+00 assign (segid " " and resid 15 and name HB2) (segid " " and resid 18 and name HD11) 3.293 1.355 1.355 weight 1.000 ! spec=3D Cnoesy, no=253, id=877, vol=3.780000e+07 assign (segid " " and resid 15 and name HB2) (segid " " and resid 18 and name HG12) 3.388 1.435 1.435 weight 1.000 ! spec=3D Cnoesy, no=254, id=878, vol=1.060000e+07 assign (segid " " and resid 15 and name HB2) (segid " " and resid 18 and name HG11) 3.803 1.808 1.808 weight 1.000 ! spec=3D Cnoesy, no=255, id=879, vol=5.450000e+06 assign (segid " " and resid 15 and name HB1) (segid " " and resid 15 and name HG2) 2.347 0.688 0.688 weight 1.000 ! spec=3D Cnoesy, no=260, id=884, vol=2.018000e+00 assign (segid " " and resid 15 and name HB1) (segid " " and resid 18 and name HG21) 3.267 1.334 1.334 weight 1.000 ! spec=3D Cnoesy, no=262, id=886, vol=1.760000e+07 assign (segid " " and resid 14 and name HB) (segid " " and resid 15 and name HD2) 3.268 1.335 1.335 weight 1.000 ! spec=3D Cnoesy, no=264, id=888, vol=1.351000e+00 assign (segid " " and resid 15 and name HD2) (segid " " and resid 14 and name HG21) 2.478 0.768 0.768 weight 1.000 ! spec=3D Cnoesy, no=265, id=889, vol=6.300000e+07 assign (segid " " and resid 15 and name HB1) (segid " " and resid 15 and name HD2) 3.026 1.145 1.145 weight 1.000 ! spec=3D Cnoesy, no=267, id=891, vol=1.848000e+00 assign (segid " " and resid 15 and name HD2) (segid " " and resid 15 and name HD1) 2.122 0.563 0.563 weight 1.000 ! spec=3D Cnoesy, no=268, id=892, vol=3.362000e+00 assign (segid " " and resid 15 and name HD2) (segid " " and resid 15 and name HG2) 2.568 0.825 0.825 weight 1.000 ! spec=3D Cnoesy, no=269, id=893, vol=2.012000e+00 assign (segid " " and resid 15 and name HD2) (segid " " and resid 18 and name HB) 3.266 1.334 1.334 weight 1.000 ! spec=3D Cnoesy, no=270, id=894, vol=1.742000e+00 assign (segid " " and resid 14 and name HA) (segid " " and resid 15 and name HD1) 2.493 0.777 0.777 weight 1.000 ! spec=3D Cnoesy, no=271, id=895, vol=5.860000e+07 assign (segid " " and resid 14 and name HB) (segid " " and resid 15 and name HD1) 3.134 1.228 1.228 weight 1.000 ! spec=3D Cnoesy, no=272, id=896, vol=2.600000e+07 assign (segid " " and resid 15 and name HD1) (segid " " and resid 14 and name HD11) 3.828 1.832 1.832 weight 1.000 ! spec=3D Cnoesy, no=273, id=897, vol=3.880000e+06 assign (segid " " and resid 14 and name HG21) (segid " " and resid 15 and name HD1) 2.395 0.717 0.717 weight 1.000 ! spec=3D Cnoesy, no=274, id=898, vol=9.510000e+07 assign (segid " " and resid 15 and name HB1) (segid " " and resid 15 and name HD1) 2.942 1.082 1.082 weight 1.000 ! spec=3D Cnoesy, no=276, id=900, vol=1.040000e+08 assign (segid " " and resid 15 and name HD1) (segid " " and resid 15 and name HG2) 2.594 0.841 0.841 weight 1.000 ! spec=3D Cnoesy, no=278, id=902, vol=1.160000e+08 assign (segid " " and resid 15 and name HD1) (segid " " and resid 18 and name HB) 3.113 1.212 1.212 weight 1.000 ! spec=3D Cnoesy, no=279, id=903, vol=1.870000e+07 assign (segid " " and resid 15 and name HG2) (segid " " and resid 18 and name HD11) 3.098 1.199 1.199 weight 1.000 ! spec=3D Cnoesy, no=286, id=910, vol=7.010000e-01 assign (segid " " and resid 15 and name HG2) (segid " " and resid 68 and name HD21) 3.183 1.267 1.267 weight 1.000 ! spec=3D Cnoesy, no=287, id=911, vol=7.960000e-01 assign (segid " " and resid 15 and name HG1) (segid " " and resid 15 and name HA) 3.127 1.223 1.223 weight 1.000 ! spec=3D Cnoesy, no=288, id=912, vol=4.419000e+00 assign (segid " " and resid 15 and name HG1) (segid " " and resid 15 and name HB2) 2.614 0.854 0.854 weight 1.000 ! spec=3D Cnoesy, no=289, id=913, vol=2.463000e+00 assign (segid " " and resid 15 and name HG1) (segid " " and resid 15 and name HD2) 2.695 0.908 0.908 weight 1.000 ! spec=3D Cnoesy, no=290, id=914, vol=3.250000e+07 assign (segid " " and resid 15 and name HG1) (segid " " and resid 15 and name HD1) 2.780 0.966 0.966 weight 1.000 ! spec=3D Cnoesy, no=291, id=915, vol=7.250000e+07 assign (segid " " and resid 15 and name HG1) (segid " " and resid 18 and name HD11) 3.079 1.185 1.185 weight 1.000 ! spec=3D Cnoesy, no=292, id=916, vol=7.030000e-01 assign (segid " " and resid 15 and name HG1) (segid " " and resid 68 and name HD21) 3.194 1.276 1.276 weight 1.000 ! spec=3D Cnoesy, no=293, id=917, vol=7.930000e-01 assign (segid " " and resid 16 and name HA) (segid " " and resid 14 and name HG21) 3.623 1.641 1.641 weight 1.000 ! spec=3D Cnoesy, no=294, id=918, vol=7.890000e-01 assign (segid " " and resid 15 and name HA) (segid " " and resid 16 and name HA) 3.330 1.386 1.386 weight 1.000 ! spec=3D Cnoesy, no=295, id=919, vol=9.900000e+06 assign (segid " " and resid 15 and name HA) (segid " " and resid 16 and name HB1) 2.836 1.036 3.164 weight 1.000 ! spec=3D Cnoesy, no=297, id=921, vol=1.120000e+07 assign (segid " " and resid 16 and name HA) (segid " " and resid 16 and name HB1) 2.104 0.304 3.896 weight 1.000 ! spec=3D Cnoesy, no=298, id=922, vol=7.300000e+07 assign (segid " " and resid 17 and name HA) (segid " " and resid 16 and name HB1) 3.359 1.410 1.410 weight 1.000 ! spec=3D Cnoesy, no=299, id=923, vol=1.328000e+00 assign (segid " " and resid 17 and name HA) (segid " " and resid 17 and name HB2) 2.340 0.685 0.685 weight 1.000 ! spec=3D Cnoesy, no=300, id=924, vol=2.760000e+00 assign (segid " " and resid 17 and name HA) (segid " " and resid 17 and name HB1) 2.298 0.660 0.660 weight 1.000 ! spec=3D Cnoesy, no=301, id=925, vol=2.608000e+00 assign (segid " " and resid 17 and name HB2) (segid " " and resid 16 and name HB1) 3.619 1.637 1.637 weight 1.000 ! spec=3D Cnoesy, no=302, id=926, vol=7.130000e+07 assign (segid " " and resid 17 and name HB2) (segid " " and resid 17 and name HB1) 1.872 0.438 0.438 weight 1.000 ! spec=3D Cnoesy, no=304, id=928, vol=2.608000e+00 assign (segid " " and resid 17 and name HB1) (segid " " and resid 16 and name HB1) 3.626 1.644 1.644 weight 1.000 ! spec=3D Cnoesy, no=305, id=929, vol=8.770000e+06 assign (segid " " and resid 18 and name HA) (segid " " and resid 18 and name HB) 2.878 1.035 1.035 weight 1.000 ! spec=3D Cnoesy, no=308, id=932, vol=1.760000e+07 assign (segid " " and resid 18 and name HA) (segid " " and resid 18 and name HG12) 2.757 0.950 0.950 weight 1.000 ! spec=3D Cnoesy, no=309, id=933, vol=1.346000e+00 assign (segid " " and resid 18 and name HA) (segid " " and resid 18 and name HG11) 2.671 0.892 0.892 weight 1.000 ! spec=3D Cnoesy, no=310, id=934, vol=3.180000e+07 assign (segid " " and resid 18 and name HB) (segid " " and resid 18 and name HG12) 2.717 0.922 0.922 weight 1.000 ! spec=3D Cnoesy, no=314, id=938, vol=4.080000e+07 assign (segid " " and resid 15 and name HB1) (segid " " and resid 18 and name HD11) 2.685 0.901 0.901 weight 1.000 ! spec=3D Cnoesy, no=318, id=942, vol=1.849000e+00 assign (segid " " and resid 15 and name HD1) (segid " " and resid 18 and name HD11) 2.637 0.837 3.363 weight 1.000 ! spec=3D Cnoesy, no=319, id=943, vol=1.870000e+07 assign (segid " " and resid 18 and name HD11) (segid " " and resid 18 and name HA) 2.577 0.830 0.830 weight 1.000 ! spec=3D Cnoesy, no=320, id=944, vol=2.310000e+07 assign (segid " " and resid 18 and name HD11) (segid " " and resid 18 and name HB) 2.450 0.750 0.750 weight 1.000 ! spec=3D Cnoesy, no=321, id=945, vol=1.741000e+00 assign (segid " " and resid 18 and name HD11) (segid " " and resid 18 and name HG12) 2.224 0.618 0.618 weight 1.000 ! spec=3D Cnoesy, no=322, id=946, vol=1.372000e+00 assign (segid " " and resid 18 and name HD11) (segid " " and resid 18 and name HG11) 2.100 0.300 3.900 weight 1.000 ! spec=3D Cnoesy, no=323, id=947, vol=9.720000e-01 assign (segid " " and resid 18 and name HG12) (segid " " and resid 15 and name HD1) 3.567 1.591 1.591 weight 1.000 ! spec=3D Cnoesy, no=324, id=948, vol=7.270000e+06 assign (segid " " and resid 18 and name HG12) (segid " " and resid 18 and name HG11) 2.084 0.543 0.543 weight 1.000 ! spec=3D Cnoesy, no=326, id=950, vol=9.790000e-01 assign (segid " " and resid 18 and name HG11) (segid " " and resid 15 and name HB1) 3.360 1.411 1.411 weight 1.000 ! spec=3D Cnoesy, no=327, id=951, vol=1.857000e+00 assign (segid " " and resid 18 and name HG11) (segid " " and resid 15 and name HG2) 3.678 1.691 1.691 weight 1.000 ! spec=3D Cnoesy, no=328, id=952, vol=8.810000e+06 assign (segid " " and resid 18 and name HB) (segid " " and resid 18 and name HG11) 2.908 1.057 1.057 weight 1.000 ! spec=3D Cnoesy, no=330, id=954, vol=1.728000e+00 assign (segid " " and resid 18 and name HA) (segid " " and resid 18 and name HG21) 2.351 0.551 3.649 weight 1.000 ! spec=3D Cnoesy, no=333, id=957, vol=2.050000e+08 assign (segid " " and resid 18 and name HB) (segid " " and resid 18 and name HG21) 2.077 0.539 0.539 weight 1.000 ! spec=3D Cnoesy, no=334, id=958, vol=1.732000e+00 assign (segid " " and resid 19 and name HA) (segid " " and resid 18 and name HG21) 3.125 1.220 1.220 weight 1.000 ! spec=3D Cnoesy, no=335, id=959, vol=7.760000e-01 assign (segid " " and resid 19 and name HA) (segid " " and resid 19 and name HB1) 2.108 0.555 0.555 weight 1.000 ! spec=3D Cnoesy, no=337, id=961, vol=7.260000e+07 assign (segid " " and resid 19 and name HB1) (segid " " and resid 21 and name HB1) 3.096 1.198 1.198 weight 1.000 ! spec=3D Cnoesy, no=338, id=962, vol=6.810000e+06 assign (segid " " and resid 20 and name HA) (segid " " and resid 24 and name HB2) 3.201 1.281 1.281 weight 1.000 ! spec=3D Cnoesy, no=341, id=965, vol=1.998000e+00 assign (segid " " and resid 20 and name HA) (segid " " and resid 24 and name HB1) 3.342 1.396 1.396 weight 1.000 ! spec=3D Cnoesy, no=342, id=966, vol=1.290000e+07 assign (segid " " and resid 20 and name HA) (segid " " and resid 24 and name HD11) 2.378 0.707 0.707 weight 1.000 ! spec=3D Cnoesy, no=343, id=967, vol=7.910000e-01 assign (segid " " and resid 20 and name HA) (segid " " and resid 39 and name HD11) 3.292 1.492 2.708 weight 1.000 ! spec=3D Cnoesy, no=344, id=968, vol=5.010000e-01 assign (segid " " and resid 20 and name HA) (segid " " and resid 39 and name HG21) 3.082 1.188 1.188 weight 1.000 ! spec=3D Cnoesy, no=345, id=969, vol=5.960000e-01 assign (segid " " and resid 20 and name HB1) (segid " " and resid 14 and name HD11) 2.450 0.750 0.750 weight 1.000 ! spec=3D Cnoesy, no=346, id=970, vol=3.640000e-01 assign (segid " " and resid 20 and name HB1) (segid " " and resid 19 and name HB1) 2.798 0.998 3.202 weight 1.000 ! spec=3D Cnoesy, no=347, id=971, vol=1.332000e+00 assign (segid " " and resid 20 and name HA) (segid " " and resid 20 and name HB1) 2.176 0.592 0.592 weight 1.000 ! spec=3D Cnoesy, no=348, id=972, vol=7.700000e+07 assign (segid " " and resid 20 and name HB1) (segid " " and resid 39 and name HB) 3.554 1.579 1.579 weight 1.000 ! spec=3D Cnoesy, no=349, id=973, vol=2.015000e+00 assign (segid " " and resid 20 and name HB1) (segid " " and resid 41 and name HA) 2.611 0.852 0.852 weight 1.000 ! spec=3D Cnoesy, no=351, id=975, vol=2.650000e+07 assign (segid " " and resid 21 and name HB2) (segid " " and resid 19 and name HB1) 3.494 1.526 1.526 weight 1.000 ! spec=3D Cnoesy, no=354, id=978, vol=1.120000e+07 assign (segid " " and resid 21 and name HB2) (segid " " and resid 21 and name HA) 2.700 0.911 0.911 weight 1.000 ! spec=3D Cnoesy, no=355, id=979, vol=3.680000e+07 assign (segid " " and resid 21 and name HB2) (segid " " and resid 22 and name HB2) 3.853 1.856 1.856 weight 1.000 ! spec=3D Cnoesy, no=357, id=981, vol=6.950000e+06 assign (segid " " and resid 21 and name HB1) (segid " " and resid 21 and name HA) 2.632 0.866 0.866 weight 1.000 ! spec=3D Cnoesy, no=359, id=983, vol=5.860000e+08 assign (segid " " and resid 21 and name HB2) (segid " " and resid 21 and name HB1) 2.181 0.595 0.595 weight 1.000 ! spec=3D Cnoesy, no=360, id=984, vol=3.302000e+00 assign (segid " " and resid 22 and name HA) (segid " " and resid 22 and name HB2) 2.439 0.744 0.744 weight 1.000 ! spec=3D Cnoesy, no=361, id=985, vol=2.047000e+00 assign (segid " " and resid 22 and name HA) (segid " " and resid 25 and name HB2) 2.519 0.793 0.793 weight 1.000 ! spec=3D Cnoesy, no=363, id=987, vol=2.172000e+00 assign (segid " " and resid 22 and name HA) (segid " " and resid 25 and name HD2) 2.593 0.840 0.840 weight 1.000 ! spec=3D Cnoesy, no=364, id=988, vol=1.744000e+00 assign (segid " " and resid 22 and name HB1) (segid " " and resid 22 and name HG2) 2.170 0.589 0.589 weight 1.000 ! spec=3D Cnoesy, no=366, id=990, vol=2.323000e+00 assign (segid " " and resid 22 and name HA) (segid " " and resid 22 and name HG2) 2.580 0.832 0.832 weight 1.000 ! spec=3D Cnoesy, no=367, id=991, vol=2.510000e+07 assign (segid " " and resid 22 and name HG2) (segid " " and resid 22 and name HB2) 2.024 0.224 3.976 weight 1.000 ! spec=3D Cnoesy, no=368, id=992, vol=2.051000e+00 assign (segid " " and resid 22 and name HG2) (segid " " and resid 23 and name HB1) 3.651 1.851 2.349 weight 1.000 ! spec=3D Cnoesy, no=369, id=993, vol=1.407000e+00 assign (segid " " and resid 22 and name HG2) (segid " " and resid 25 and name HB1) 3.069 1.269 2.931 weight 1.000 ! spec=3D Cnoesy, no=370, id=994, vol=1.732000e+00 assign (segid " " and resid 22 and name HG2) (segid " " and resid 26 and name HG21) 3.403 1.603 2.597 weight 1.000 ! spec=3D Cnoesy, no=372, id=996, vol=3.200000e+06 assign (segid " " and resid 23 and name HA) (segid " " and resid 26 and name HA) 3.888 1.889 1.889 weight 1.000 ! spec=3D Cnoesy, no=374, id=998, vol=1.770000e+08 assign (segid " " and resid 23 and name HA) (segid " " and resid 26 and name HB) 2.547 0.747 3.453 weight 1.000 ! spec=3D Cnoesy, no=375, id=999, vol=2.058000e+00 assign (segid " " and resid 23 and name HA) (segid " " and resid 26 and name HG21) 3.287 1.350 1.350 weight 1.000 ! spec=3D Cnoesy, no=377, id=1001, vol=9.150000e-01 assign (segid " " and resid 23 and name HA) (segid " " and resid 23 and name HB1) 2.016 0.508 0.508 weight 1.000 ! spec=3D Cnoesy, no=378, id=1002, vol=9.930000e+07 assign (segid " " and resid 24 and name HA) (segid " " and resid 24 and name HB2) 2.615 0.855 0.855 weight 1.000 ! spec=3D Cnoesy, no=379, id=1003, vol=1.985000e+00 assign (segid " " and resid 24 and name HA) (segid " " and resid 24 and name HB1) 2.478 0.768 0.768 weight 1.000 ! spec=3D Cnoesy, no=380, id=1004, vol=1.741000e+00 assign (segid " " and resid 24 and name HA) (segid " " and resid 24 and name HD21) 2.244 0.444 3.756 weight 1.000 ! spec=3D Cnoesy, no=381, id=1005, vol=7.830000e-01 assign (segid " " and resid 24 and name HA) (segid " " and resid 24 and name HG) 2.710 0.918 0.918 weight 1.000 ! spec=3D Cnoesy, no=382, id=1006, vol=1.416000e+00 assign (segid " " and resid 24 and name HA) (segid " " and resid 27 and name HB1) 2.771 0.971 3.229 weight 1.000 ! spec=3D Cnoesy, no=383, id=1007, vol=1.882000e+00 assign (segid " " and resid 24 and name HA) (segid " " and resid 27 and name HD2) 3.578 1.600 1.600 weight 1.000 ! spec=3D Cnoesy, no=384, id=1008, vol=3.202000e+00 assign (segid " " and resid 24 and name HA) (segid " " and resid 27 and name HG2) 2.995 1.121 1.121 weight 1.000 ! spec=3D Cnoesy, no=385, id=1009, vol=1.614000e+00 assign (segid " " and resid 24 and name HB2) (segid " " and resid 24 and name HB1) 2.259 0.638 0.638 weight 1.000 ! spec=3D Cnoesy, no=388, id=1012, vol=1.741000e+00 assign (segid " " and resid 24 and name HB2) (segid " " and resid 24 and name HD11) 2.627 0.863 0.863 weight 1.000 ! spec=3D Cnoesy, no=389, id=1013, vol=4.850000e+07 assign (segid " " and resid 24 and name HB2) (segid " " and resid 24 and name HG) 2.883 1.039 1.039 weight 1.000 ! spec=3D Cnoesy, no=390, id=1014, vol=1.423000e+00 assign (segid " " and resid 24 and name HB2) (segid " " and resid 39 and name HD11) 3.490 1.522 1.522 weight 1.000 ! spec=3D Cnoesy, no=391, id=1015, vol=1.770000e+07 assign (segid " " and resid 24 and name HB1) (segid " " and resid 24 and name HD21) 2.528 0.728 3.472 weight 1.000 ! spec=3D Cnoesy, no=395, id=1019, vol=6.150000e+07 assign (segid " " and resid 24 and name HB1) (segid " " and resid 24 and name HG) 2.836 1.006 1.006 weight 1.000 ! spec=3D Cnoesy, no=396, id=1020, vol=1.425000e+00 assign (segid " " and resid 24 and name HB1) (segid " " and resid 39 and name HD11) 3.684 1.696 1.696 weight 1.000 ! spec=3D Cnoesy, no=397, id=1021, vol=5.550000e+06 assign (segid " " and resid 24 and name HD11) (segid " " and resid 24 and name HA) 3.338 1.393 1.393 weight 1.000 ! spec=3D Cnoesy, no=400, id=1024, vol=4.570000e+08 assign (segid " " and resid 24 and name HD11) (segid " " and resid 24 and name HB1) 2.690 0.904 0.904 weight 1.000 ! spec=3D Cnoesy, no=402, id=1026, vol=1.736000e+00 assign (segid " " and resid 24 and name HD11) (segid " " and resid 24 and name HG) 2.415 0.729 0.729 weight 1.000 ! spec=3D Cnoesy, no=403, id=1027, vol=1.417000e+00 assign (segid " " and resid 24 and name HD11) (segid " " and resid 28 and name HD11) 2.696 0.896 3.304 weight 1.000 ! spec=3D Cnoesy, no=404, id=1028, vol=5.920000e-01 assign (segid " " and resid 24 and name HD11) (segid " " and resid 39 and name HD11) 2.605 0.805 3.395 weight 1.000 ! spec=3D Cnoesy, no=405, id=1029, vol=5.060000e-01 assign (segid " " and resid 24 and name HD21) (segid " " and resid 14 and name HD11) 2.952 1.090 1.090 weight 1.000 ! spec=3D Cnoesy, no=406, id=1030, vol=3.670000e-01 assign (segid " " and resid 24 and name HD21) (segid " " and resid 20 and name HA) 3.202 1.282 1.282 weight 1.000 ! spec=3D Cnoesy, no=407, id=1031, vol=5.670000e+06 assign (segid " " and resid 24 and name HD21) (segid " " and resid 24 and name HB2) 2.583 0.834 0.834 weight 1.000 ! spec=3D Cnoesy, no=409, id=1033, vol=1.986000e+00 assign (segid " " and resid 24 and name HD21) (segid " " and resid 24 and name HG) 2.119 0.319 3.881 weight 1.000 ! spec=3D Cnoesy, no=410, id=1034, vol=1.427000e+00 assign (segid " " and resid 24 and name HD21) (segid " " and resid 25 and name HA) 2.956 1.092 1.092 weight 1.000 ! spec=3D Cnoesy, no=411, id=1035, vol=1.040000e+07 assign (segid " " and resid 25 and name HA) (segid " " and resid 22 and name HA) 3.387 1.434 1.434 weight 1.000 ! spec=3D Cnoesy, no=413, id=1037, vol=4.016000e+00 assign (segid " " and resid 25 and name HA) (segid " " and resid 24 and name HG) 3.381 1.429 1.429 weight 1.000 ! spec=3D Cnoesy, no=414, id=1038, vol=1.300000e+08 assign (segid " " and resid 25 and name HA) (segid " " and resid 25 and name HB2) 2.718 0.923 0.923 weight 1.000 ! spec=3D Cnoesy, no=415, id=1039, vol=2.167000e+00 assign (segid " " and resid 25 and name HA) (segid " " and resid 25 and name HB1) 2.368 0.701 0.701 weight 1.000 ! spec=3D Cnoesy, no=416, id=1040, vol=1.749000e+00 assign (segid " " and resid 25 and name HA) (segid " " and resid 25 and name HG1) 2.583 0.834 0.834 weight 1.000 ! spec=3D Cnoesy, no=417, id=1041, vol=6.260000e+07 assign (segid " " and resid 25 and name HA) (segid " " and resid 28 and name HB2) 2.792 0.975 0.975 weight 1.000 ! spec=3D Cnoesy, no=418, id=1042, vol=1.987000e+00 assign (segid " " and resid 25 and name HA) (segid " " and resid 28 and name HD11) 2.955 1.091 1.091 weight 1.000 ! spec=3D Cnoesy, no=419, id=1043, vol=9.550000e+07 assign (segid " " and resid 25 and name HA) (segid " " and resid 37 and name HG11) 2.422 0.734 0.734 weight 1.000 ! spec=3D Cnoesy, no=420, id=1044, vol=5.780000e+07 assign (segid " " and resid 25 and name HB2) (segid " " and resid 25 and name HG1) 2.826 0.998 0.998 weight 1.000 ! spec=3D Cnoesy, no=424, id=1048, vol=1.229000e+00 assign (segid " " and resid 25 and name HB2) (segid " " and resid 26 and name HG11) 3.264 1.331 1.331 weight 1.000 ! spec=3D Cnoesy, no=425, id=1049, vol=2.040000e+07 assign (segid " " and resid 25 and name HB2) (segid " " and resid 29 and name HD11) 3.462 1.498 1.498 weight 1.000 ! spec=3D Cnoesy, no=426, id=1050, vol=1.640000e+07 assign (segid " " and resid 25 and name HB1) (segid " " and resid 22 and name HA) 2.953 1.090 1.090 weight 1.000 ! spec=3D Cnoesy, no=429, id=1053, vol=1.910000e+07 assign (segid " " and resid 25 and name HB1) (segid " " and resid 25 and name HG1) 2.775 0.963 0.963 weight 1.000 ! spec=3D Cnoesy, no=431, id=1055, vol=1.234000e+00 assign (segid " " and resid 25 and name HB1) (segid " " and resid 26 and name HG11) 3.582 1.604 1.604 weight 1.000 ! spec=3D Cnoesy, no=432, id=1056, vol=1.300000e+07 assign (segid " " and resid 25 and name HB1) (segid " " and resid 29 and name HD11) 3.456 1.493 1.493 weight 1.000 ! spec=3D Cnoesy, no=433, id=1057, vol=1.240000e+07 assign (segid " " and resid 25 and name HB1) (segid " " and resid 37 and name HG11) 3.337 1.392 1.392 weight 1.000 ! spec=3D Cnoesy, no=434, id=1058, vol=1.370000e+07 assign (segid " " and resid 25 and name HD2) (segid " " and resid 22 and name HG2) 3.390 1.436 1.436 weight 1.000 ! spec=3D Cnoesy, no=437, id=1061, vol=2.317000e+00 assign (segid " " and resid 25 and name HD2) (segid " " and resid 25 and name HA) 3.368 1.418 1.418 weight 1.000 ! spec=3D Cnoesy, no=438, id=1062, vol=7.780000e+06 assign (segid " " and resid 25 and name HD2) (segid " " and resid 25 and name HB2) 2.627 0.862 0.862 weight 1.000 ! spec=3D Cnoesy, no=439, id=1063, vol=2.164000e+00 assign (segid " " and resid 25 and name HD2) (segid " " and resid 37 and name HG11) 2.936 1.136 3.064 weight 1.000 ! spec=3D Cnoesy, no=444, id=1068, vol=7.630000e-01 assign (segid " " and resid 25 and name HD2) (segid " " and resid 39 and name HD11) 3.544 1.570 1.570 weight 1.000 ! spec=3D Cnoesy, no=445, id=1069, vol=5.550000e+06 assign (segid " " and resid 25 and name HE2) (segid " " and resid 25 and name HB2) 3.526 1.554 1.554 weight 1.000 ! spec=3D Cnoesy, no=446, id=1070, vol=5.920000e+06 assign (segid " " and resid 25 and name HD2) (segid " " and resid 25 and name HE2) 2.524 0.796 0.796 weight 1.000 ! spec=3D Cnoesy, no=447, id=1071, vol=1.060000e+09 assign (segid " " and resid 25 and name HE2) (segid " " and resid 25 and name HG1) 2.801 0.981 0.981 weight 1.000 ! spec=3D Cnoesy, no=448, id=1072, vol=2.970000e+07 assign (segid " " and resid 25 and name HE2) (segid " " and resid 29 and name HD11) 2.856 1.020 1.020 weight 1.000 ! spec=3D Cnoesy, no=449, id=1073, vol=6.150000e+08 assign (segid " " and resid 25 and name HE2) (segid " " and resid 29 and name HD21) 3.233 1.306 1.306 weight 1.000 ! spec=3D Cnoesy, no=450, id=1074, vol=5.970000e+08 assign (segid " " and resid 25 and name HE1) (segid " " and resid 25 and name HB2) 3.498 1.530 1.530 weight 1.000 ! spec=3D Cnoesy, no=451, id=1075, vol=4.930000e+06 assign (segid " " and resid 25 and name HD2) (segid " " and resid 25 and name HE1) 2.450 0.750 0.750 weight 1.000 ! spec=3D Cnoesy, no=452, id=1076, vol=1.020000e+09 assign (segid " " and resid 25 and name HE1) (segid " " and resid 25 and name HG1) 2.801 0.981 0.981 weight 1.000 ! spec=3D Cnoesy, no=453, id=1077, vol=3.170000e+07 assign (segid " " and resid 25 and name HE1) (segid " " and resid 29 and name HD11) 2.814 0.990 0.990 weight 1.000 ! spec=3D Cnoesy, no=454, id=1078, vol=3.770000e+08 assign (segid " " and resid 25 and name HE1) (segid " " and resid 29 and name HD21) 3.167 1.254 1.254 weight 1.000 ! spec=3D Cnoesy, no=455, id=1079, vol=5.520000e+08 assign (segid " " and resid 25 and name HG2) (segid " " and resid 22 and name HA) 3.968 1.969 1.969 weight 1.000 ! spec=3D Cnoesy, no=456, id=1080, vol=4.090000e+07 assign (segid " " and resid 25 and name HG2) (segid " " and resid 25 and name HA) 2.972 1.104 1.104 weight 1.000 ! spec=3D Cnoesy, no=457, id=1081, vol=7.460000e+07 assign (segid " " and resid 25 and name HG2) (segid " " and resid 25 and name HB2) 2.910 1.058 1.058 weight 1.000 ! spec=3D Cnoesy, no=458, id=1082, vol=2.164000e+00 assign (segid " " and resid 25 and name HD2) (segid " " and resid 25 and name HG2) 2.367 0.700 0.700 weight 1.000 ! spec=3D Cnoesy, no=459, id=1083, vol=1.734000e+00 assign (segid " " and resid 25 and name HG2) (segid " " and resid 25 and name HE2) 3.355 1.407 1.407 weight 1.000 ! spec=3D Cnoesy, no=460, id=1084, vol=3.160000e+08 assign (segid " " and resid 25 and name HG2) (segid " " and resid 25 and name HE1) 3.253 1.323 1.323 weight 1.000 ! spec=3D Cnoesy, no=461, id=1085, vol=3.600000e+08 assign (segid " " and resid 25 and name HG2) (segid " " and resid 29 and name HD11) 2.644 0.874 0.874 weight 1.000 ! spec=3D Cnoesy, no=462, id=1086, vol=8.510000e-01 assign (segid " " and resid 25 and name HG1) (segid " " and resid 22 and name HA) 3.813 1.818 1.818 weight 1.000 ! spec=3D Cnoesy, no=463, id=1087, vol=3.080000e+07 assign (segid " " and resid 25 and name HG1) (segid " " and resid 25 and name HD2) 2.324 0.675 0.675 weight 1.000 ! spec=3D Cnoesy, no=466, id=1090, vol=1.736000e+00 assign (segid " " and resid 26 and name HA) (segid " " and resid 26 and name HB) 2.610 0.851 0.851 weight 1.000 ! spec=3D Cnoesy, no=469, id=1093, vol=2.790000e+07 assign (segid " " and resid 26 and name HA) (segid " " and resid 29 and name HB2) 2.665 0.887 0.887 weight 1.000 ! spec=3D Cnoesy, no=472, id=1096, vol=2.900000e+07 assign (segid " " and resid 26 and name HA) (segid " " and resid 29 and name HB1) 2.945 1.084 1.084 weight 1.000 ! spec=3D Cnoesy, no=473, id=1097, vol=3.820000e+07 assign (segid " " and resid 26 and name HA) (segid " " and resid 29 and name HG) 3.225 1.300 1.300 weight 1.000 ! spec=3D Cnoesy, no=474, id=1098, vol=5.180000e+07 assign (segid " " and resid 22 and name HG2) (segid " " and resid 26 and name HG11) 2.584 0.834 0.834 weight 1.000 ! spec=3D Cnoesy, no=479, id=1103, vol=1.650000e+07 assign (segid " " and resid 23 and name HA) (segid " " and resid 26 and name HG11) 2.508 0.708 3.492 weight 1.000 ! spec=3D Cnoesy, no=480, id=1104, vol=2.240000e+07 assign (segid " " and resid 26 and name HG11) (segid " " and resid 25 and name HD2) 2.923 1.123 3.077 weight 1.000 ! spec=3D Cnoesy, no=481, id=1105, vol=1.728000e+00 assign (segid " " and resid 26 and name HA) (segid " " and resid 26 and name HG11) 2.171 0.371 3.829 weight 1.000 ! spec=3D Cnoesy, no=482, id=1106, vol=4.860000e+07 assign (segid " " and resid 26 and name HB) (segid " " and resid 26 and name HG11) 2.076 0.276 3.924 weight 1.000 ! spec=3D Cnoesy, no=483, id=1107, vol=2.055000e+00 assign (segid " " and resid 26 and name HA) (segid " " and resid 26 and name HG21) 2.288 0.488 3.712 weight 1.000 ! spec=3D Cnoesy, no=484, id=1108, vol=4.210000e+07 assign (segid " " and resid 26 and name HB) (segid " " and resid 26 and name HG21) 1.908 0.455 0.455 weight 1.000 ! spec=3D Cnoesy, no=485, id=1109, vol=2.058000e+00 assign (segid " " and resid 27 and name HA) (segid " " and resid 26 and name HG21) 3.069 1.177 1.177 weight 1.000 ! spec=3D Cnoesy, no=487, id=1111, vol=9.080000e-01 assign (segid " " and resid 27 and name HA) (segid " " and resid 27 and name HB2) 2.417 0.730 0.730 weight 1.000 ! spec=3D Cnoesy, no=488, id=1112, vol=1.920000e+00 assign (segid " " and resid 27 and name HA) (segid " " and resid 27 and name HD2) 2.610 0.810 3.390 weight 1.000 ! spec=3D Cnoesy, no=489, id=1113, vol=3.198000e+00 assign (segid " " and resid 27 and name HA) (segid " " and resid 27 and name HG2) 2.511 0.711 3.489 weight 1.000 ! spec=3D Cnoesy, no=490, id=1114, vol=1.608000e+00 assign (segid " " and resid 27 and name HA) (segid " " and resid 30 and name HG2) 3.047 1.161 1.161 weight 1.000 ! spec=3D Cnoesy, no=491, id=1115, vol=2.571000e+00 assign (segid " " and resid 27 and name HB2) (segid " " and resid 27 and name HD2) 2.925 1.070 1.070 weight 1.000 ! spec=3D Cnoesy, no=492, id=1116, vol=5.350000e+08 assign (segid " " and resid 27 and name HB2) (segid " " and resid 27 and name HG2) 2.333 0.680 0.680 weight 1.000 ! spec=3D Cnoesy, no=493, id=1117, vol=1.610000e+00 assign (segid " " and resid 27 and name HB1) (segid " " and resid 27 and name HA) 2.617 0.856 0.856 weight 1.000 ! spec=3D Cnoesy, no=494, id=1118, vol=1.400000e+09 assign (segid " " and resid 27 and name HD2) (segid " " and resid 27 and name HG2) 2.066 0.534 0.534 weight 1.000 ! spec=3D Cnoesy, no=496, id=1120, vol=1.380000e+08 assign (segid " " and resid 27 and name HD2) (segid " " and resid 67 and name HB1) 2.870 1.029 1.029 weight 1.000 ! spec=3D Cnoesy, no=497, id=1121, vol=1.190000e+09 assign (segid " " and resid 27 and name HD2) (segid " " and resid 68 and name HD21) 2.888 1.043 1.043 weight 1.000 ! spec=3D Cnoesy, no=498, id=1122, vol=5.770000e+08 assign (segid " " and resid 27 and name HB1) (segid " " and resid 27 and name HG2) 2.214 0.613 0.613 weight 1.000 ! spec=3D Cnoesy, no=501, id=1125, vol=1.893000e+00 assign (segid " " and resid 28 and name HA) (segid " " and resid 28 and name HB1) 2.457 0.755 0.755 weight 1.000 ! spec=3D Cnoesy, no=503, id=1127, vol=1.154000e+00 assign (segid " " and resid 28 and name HA) (segid " " and resid 28 and name HD11) 2.998 1.198 3.002 weight 1.000 ! spec=3D Cnoesy, no=504, id=1128, vol=5.790000e-01 assign (segid " " and resid 28 and name HA) (segid " " and resid 28 and name HD21) 2.224 0.618 0.618 weight 1.000 ! spec=3D Cnoesy, no=505, id=1129, vol=6.930000e-01 assign (segid " " and resid 28 and name HA) (segid " " and resid 28 and name HG) 2.779 0.965 0.965 weight 1.000 ! spec=3D Cnoesy, no=506, id=1130, vol=1.765000e+00 assign (segid " " and resid 28 and name HB2) (segid " " and resid 28 and name HA) 2.909 1.058 1.058 weight 1.000 ! spec=3D Cnoesy, no=508, id=1132, vol=2.630000e+07 assign (segid " " and resid 28 and name HB2) (segid " " and resid 28 and name HB1) 2.176 0.592 0.592 weight 1.000 ! spec=3D Cnoesy, no=509, id=1133, vol=1.370000e+08 assign (segid " " and resid 28 and name HB2) (segid " " and resid 29 and name HG) 3.432 1.472 1.472 weight 1.000 ! spec=3D Cnoesy, no=513, id=1137, vol=1.636000e+00 assign (segid " " and resid 28 and name HB1) (segid " " and resid 28 and name HG) 2.750 0.946 0.946 weight 1.000 ! spec=3D Cnoesy, no=519, id=1143, vol=1.761000e+00 assign (segid " " and resid 28 and name HB1) (segid " " and resid 37 and name HG21) 2.562 0.821 0.821 weight 1.000 ! spec=3D Cnoesy, no=520, id=1144, vol=4.890000e+07 assign (segid " " and resid 28 and name HD11) (segid " " and resid 24 and name HD21) 1.996 0.196 4.004 weight 1.000 ! spec=3D Cnoesy, no=522, id=1146, vol=7.770000e-01 assign (segid " " and resid 28 and name HD11) (segid " " and resid 24 and name HG) 2.651 0.879 0.879 weight 1.000 ! spec=3D Cnoesy, no=523, id=1147, vol=1.423000e+00 assign (segid " " and resid 28 and name HB2) (segid " " and resid 28 and name HD11) 2.490 0.775 0.775 weight 1.000 ! spec=3D Cnoesy, no=526, id=1150, vol=3.560000e+07 assign (segid " " and resid 28 and name HB1) (segid " " and resid 28 and name HD11) 2.533 0.802 0.802 weight 1.000 ! spec=3D Cnoesy, no=527, id=1151, vol=1.158000e+00 assign (segid " " and resid 28 and name HD11) (segid " " and resid 28 and name HG) 2.650 0.878 0.878 weight 1.000 ! spec=3D Cnoesy, no=528, id=1152, vol=5.030000e+07 assign (segid " " and resid 28 and name HB2) (segid " " and resid 28 and name HD21) 2.434 0.634 3.566 weight 1.000 ! spec=3D Cnoesy, no=529, id=1153, vol=1.980000e+00 assign (segid " " and resid 28 and name HB1) (segid " " and resid 28 and name HD21) 2.117 0.560 0.560 weight 1.000 ! spec=3D Cnoesy, no=530, id=1154, vol=1.154000e+00 assign (segid " " and resid 28 and name HD21) (segid " " and resid 28 and name HG) 2.233 0.623 0.623 weight 1.000 ! spec=3D Cnoesy, no=531, id=1155, vol=1.763000e+00 assign (segid " " and resid 28 and name HD21) (segid " " and resid 64 and name HG11) 2.585 0.835 0.835 weight 1.000 ! spec=3D Cnoesy, no=533, id=1157, vol=1.878000e+00 assign (segid " " and resid 28 and name HG) (segid " " and resid 25 and name HA) 3.683 1.695 1.695 weight 1.000 ! spec=3D Cnoesy, no=534, id=1158, vol=1.190000e+07 assign (segid " " and resid 28 and name HB2) (segid " " and resid 28 and name HG) 2.462 0.758 0.758 weight 1.000 ! spec=3D Cnoesy, no=536, id=1160, vol=1.962000e+00 assign (segid " " and resid 29 and name HA) (segid " " and resid 26 and name HA) 3.598 1.618 1.618 weight 1.000 ! spec=3D Cnoesy, no=539, id=1163, vol=5.550000e+06 assign (segid " " and resid 29 and name HA) (segid " " and resid 29 and name HB2) 2.687 0.902 0.902 weight 1.000 ! spec=3D Cnoesy, no=540, id=1164, vol=1.861000e+00 assign (segid " " and resid 29 and name HA) (segid " " and resid 29 and name HB1) 2.526 0.797 0.797 weight 1.000 ! spec=3D Cnoesy, no=541, id=1165, vol=1.535000e+00 assign (segid " " and resid 29 and name HA) (segid " " and resid 29 and name HG) 2.749 0.945 0.945 weight 1.000 ! spec=3D Cnoesy, no=543, id=1167, vol=1.656000e+00 assign (segid " " and resid 29 and name HA) (segid " " and resid 34 and name HB) 3.020 1.140 1.140 weight 1.000 ! spec=3D Cnoesy, no=544, id=1168, vol=1.480000e+07 assign (segid " " and resid 29 and name HA) (segid " " and resid 34 and name HG11) 2.382 0.582 3.618 weight 1.000 ! spec=3D Cnoesy, no=545, id=1169, vol=6.790000e-01 assign (segid " " and resid 29 and name HB2) (segid " " and resid 29 and name HB1) 2.101 0.552 0.552 weight 1.000 ! spec=3D Cnoesy, no=548, id=1172, vol=1.533000e+00 assign (segid " " and resid 29 and name HB2) (segid " " and resid 29 and name HG) 2.525 0.797 0.797 weight 1.000 ! spec=3D Cnoesy, no=550, id=1174, vol=1.660000e+00 assign (segid " " and resid 29 and name HB1) (segid " " and resid 29 and name HG) 2.461 0.757 0.757 weight 1.000 ! spec=3D Cnoesy, no=555, id=1179, vol=1.633000e+00 assign (segid " " and resid 25 and name HD2) (segid " " and resid 29 and name HD11) 2.710 0.910 3.290 weight 1.000 ! spec=3D Cnoesy, no=556, id=1180, vol=1.740000e+00 assign (segid " " and resid 29 and name HD11) (segid " " and resid 25 and name HG1) 2.639 0.871 0.871 weight 1.000 ! spec=3D Cnoesy, no=559, id=1183, vol=1.216000e+00 assign (segid " " and resid 29 and name HD11) (segid " " and resid 26 and name HA) 2.670 0.891 0.891 weight 1.000 ! spec=3D Cnoesy, no=560, id=1184, vol=1.820000e+07 assign (segid " " and resid 29 and name HD11) (segid " " and resid 29 and name HA) 3.273 1.339 1.339 weight 1.000 ! spec=3D Cnoesy, no=561, id=1185, vol=3.880000e+08 assign (segid " " and resid 29 and name HB2) (segid " " and resid 29 and name HD11) 2.449 0.750 0.750 weight 1.000 ! spec=3D Cnoesy, no=562, id=1186, vol=1.854000e+00 assign (segid " " and resid 29 and name HD11) (segid " " and resid 29 and name HB1) 2.520 0.794 0.794 weight 1.000 ! spec=3D Cnoesy, no=563, id=1187, vol=1.533000e+00 assign (segid " " and resid 29 and name HA) (segid " " and resid 29 and name HD21) 2.095 0.548 0.548 weight 1.000 ! spec=3D Cnoesy, no=564, id=1188, vol=9.400000e+07 assign (segid " " and resid 29 and name HD21) (segid " " and resid 29 and name HB2) 2.474 0.674 3.526 weight 1.000 ! spec=3D Cnoesy, no=565, id=1189, vol=1.857000e+00 assign (segid " " and resid 29 and name HB1) (segid " " and resid 29 and name HD21) 2.288 0.488 3.712 weight 1.000 ! spec=3D Cnoesy, no=566, id=1190, vol=1.533000e+00 assign (segid " " and resid 29 and name HD21) (segid " " and resid 29 and name HG) 2.186 0.597 0.597 weight 1.000 ! spec=3D Cnoesy, no=567, id=1191, vol=1.653000e+00 assign (segid " " and resid 29 and name HD21) (segid " " and resid 36 and name HA) 2.495 0.778 0.778 weight 1.000 ! spec=3D Cnoesy, no=568, id=1192, vol=4.550000e+08 assign (segid " " and resid 29 and name HD21) (segid " " and resid 36 and name HG2) 3.350 1.550 2.650 weight 1.000 ! spec=3D Cnoesy, no=569, id=1193, vol=2.172000e+00 assign (segid " " and resid 29 and name HG) (segid " " and resid 25 and name HG1) 3.167 1.254 1.254 weight 1.000 ! spec=3D Cnoesy, no=570, id=1194, vol=1.231000e+00 assign (segid " " and resid 29 and name HG) (segid " " and resid 28 and name HB1) 3.250 1.450 2.750 weight 1.000 ! spec=3D Cnoesy, no=572, id=1196, vol=1.144000e+00 assign (segid " " and resid 30 and name HA) (segid " " and resid 30 and name HB2) 2.352 0.691 0.691 weight 1.000 ! spec=3D Cnoesy, no=575, id=1199, vol=2.157000e+00 assign (segid " " and resid 30 and name HA) (segid " " and resid 30 and name HG2) 2.777 0.964 0.964 weight 1.000 ! spec=3D Cnoesy, no=576, id=1200, vol=2.571000e+00 assign (segid " " and resid 30 and name HA) (segid " " and resid 30 and name HG1) 2.440 0.744 0.744 weight 1.000 ! spec=3D Cnoesy, no=577, id=1201, vol=2.265000e+00 assign (segid " " and resid 30 and name HB1) (segid " " and resid 30 and name HA) 2.658 0.883 0.883 weight 1.000 ! spec=3D Cnoesy, no=580, id=1204, vol=4.030000e+07 assign (segid " " and resid 30 and name HB1) (segid " " and resid 30 and name HG2) 2.690 0.904 0.904 weight 1.000 ! spec=3D Cnoesy, no=581, id=1205, vol=2.566000e+00 assign (segid " " and resid 26 and name HG21) (segid " " and resid 30 and name HG2) 3.202 1.402 2.798 weight 1.000 ! spec=3D Cnoesy, no=582, id=1206, vol=1.220000e+07 assign (segid " " and resid 30 and name HB2) (segid " " and resid 30 and name HG2) 2.456 0.754 0.754 weight 1.000 ! spec=3D Cnoesy, no=585, id=1209, vol=2.146000e+00 assign (segid " " and resid 30 and name HG1) (segid " " and resid 27 and name HA) 3.273 1.339 1.339 weight 1.000 ! spec=3D Cnoesy, no=587, id=1211, vol=7.440000e+08 assign (segid " " and resid 30 and name HG2) (segid " " and resid 30 and name HG1) 1.917 0.459 0.459 weight 1.000 ! spec=3D Cnoesy, no=589, id=1213, vol=2.567000e+00 assign (segid " " and resid 31 and name HA) (segid " " and resid 31 and name HB) 2.329 0.678 0.678 weight 1.000 ! spec=3D Cnoesy, no=590, id=1214, vol=4.255000e+00 assign (segid " " and resid 31 and name HA) (segid " " and resid 32 and name HB2) 3.348 1.401 1.401 weight 1.000 ! spec=3D Cnoesy, no=592, id=1216, vol=2.210000e+07 assign (segid " " and resid 31 and name HA) (segid " " and resid 32 and name HB1) 3.549 1.574 1.574 weight 1.000 ! spec=3D Cnoesy, no=593, id=1217, vol=2.180000e+07 assign (segid " " and resid 31 and name HA) (segid " " and resid 34 and name HG11) 2.885 1.085 3.115 weight 1.000 ! spec=3D Cnoesy, no=594, id=1218, vol=6.870000e-01 assign (segid " " and resid 31 and name HB) (segid " " and resid 34 and name HB) 3.074 1.181 1.181 weight 1.000 ! spec=3D Cnoesy, no=597, id=1221, vol=2.332000e+00 assign (segid " " and resid 31 and name HA) (segid " " and resid 31 and name HG21) 2.273 0.473 3.727 weight 1.000 ! spec=3D Cnoesy, no=599, id=1223, vol=4.760000e+07 assign (segid " " and resid 31 and name HB) (segid " " and resid 31 and name HG21) 2.248 0.632 0.632 weight 1.000 ! spec=3D Cnoesy, no=600, id=1224, vol=4.960000e+07 assign (segid " " and resid 31 and name HG21) (segid " " and resid 34 and name HB) 3.314 1.514 2.686 weight 1.000 ! spec=3D Cnoesy, no=601, id=1225, vol=1.560000e+07 assign (segid " " and resid 31 and name HG21) (segid " " and resid 60 and name HA) 2.964 1.098 1.098 weight 1.000 ! spec=3D Cnoesy, no=602, id=1226, vol=8.420000e+06 assign (segid " " and resid 31 and name HG21) (segid " " and resid 60 and name HB) 2.982 1.182 3.018 weight 1.000 ! spec=3D Cnoesy, no=603, id=1227, vol=1.980000e+00 assign (segid " " and resid 31 and name HG21) (segid " " and resid 63 and name HB1) 2.248 0.632 0.632 weight 1.000 ! spec=3D Cnoesy, no=604, id=1228, vol=1.519000e+00 assign (segid " " and resid 31 and name HG21) (segid " " and resid 64 and name HA) 3.349 1.402 1.402 weight 1.000 ! spec=3D Cnoesy, no=605, id=1229, vol=3.750000e+06 assign (segid " " and resid 31 and name HG21) (segid " " and resid 64 and name HD11) 2.178 0.593 0.593 weight 1.000 ! spec=3D Cnoesy, no=606, id=1230, vol=6.930000e-01 assign (segid " " and resid 31 and name HG21) (segid " " and resid 64 and name HG11) 2.819 0.993 0.993 weight 1.000 ! spec=3D Cnoesy, no=607, id=1231, vol=1.874000e+00 assign (segid " " and resid 32 and name HA) (segid " " and resid 32 and name HB2) 2.390 0.714 0.714 weight 1.000 ! spec=3D Cnoesy, no=608, id=1232, vol=1.991000e+00 assign (segid " " and resid 32 and name HA) (segid " " and resid 32 and name HB1) 2.524 0.796 0.796 weight 1.000 ! spec=3D Cnoesy, no=609, id=1233, vol=1.898000e+00 assign (segid " " and resid 32 and name HA) (segid " " and resid 33 and name HA2) 2.928 1.128 3.072 weight 1.000 ! spec=3D Cnoesy, no=611, id=1235, vol=4.203000e+00 assign (segid " " and resid 32 and name HB1) (segid " " and resid 32 and name HG2) 2.024 0.512 0.512 weight 1.000 ! spec=3D Cnoesy, no=615, id=1239, vol=2.224000e+00 assign (segid " " and resid 32 and name HA) (segid " " and resid 32 and name HG2) 2.489 0.774 0.774 weight 1.000 ! spec=3D Cnoesy, no=616, id=1240, vol=2.840000e+07 assign (segid " " and resid 32 and name HG2) (segid " " and resid 32 and name HB2) 1.868 0.068 4.132 weight 1.000 ! spec=3D Cnoesy, no=617, id=1241, vol=1.996000e+00 assign (segid " " and resid 33 and name HA2) (segid " " and resid 51 and name HB2) 3.212 1.290 1.290 weight 1.000 ! spec=3D Cnoesy, no=620, id=1244, vol=2.894000e+00 assign (segid " " and resid 33 and name HA2) (segid " " and resid 51 and name HB1) 3.453 1.491 1.491 weight 1.000 ! spec=3D Cnoesy, no=621, id=1245, vol=2.372000e+00 assign (segid " " and resid 33 and name HA2) (segid " " and resid 54 and name HB) 3.207 1.407 2.793 weight 1.000 ! spec=3D Cnoesy, no=622, id=1246, vol=2.660000e+07 assign (segid " " and resid 33 and name HA2) (segid " " and resid 54 and name HG11) 2.731 0.932 0.932 weight 1.000 ! spec=3D Cnoesy, no=623, id=1247, vol=8.840000e-01 assign (segid " " and resid 32 and name HA) (segid " " and resid 33 and name HA1) 2.997 1.197 3.003 weight 1.000 ! spec=3D Cnoesy, no=625, id=1249, vol=3.964000e+00 assign (segid " " and resid 33 and name HA1) (segid " " and resid 32 and name HG2) 3.628 1.646 1.646 weight 1.000 ! spec=3D Cnoesy, no=626, id=1250, vol=5.170000e+06 assign (segid " " and resid 33 and name HA2) (segid " " and resid 33 and name HA1) 1.994 0.497 0.497 weight 1.000 ! spec=3D Cnoesy, no=627, id=1251, vol=1.880000e+08 assign (segid " " and resid 33 and name HA1) (segid " " and resid 51 and name HB2) 3.092 1.195 1.195 weight 1.000 ! spec=3D Cnoesy, no=628, id=1252, vol=1.810000e+07 assign (segid " " and resid 33 and name HA1) (segid " " and resid 51 and name HB1) 3.240 1.312 1.312 weight 1.000 ! spec=3D Cnoesy, no=629, id=1253, vol=8.980000e+06 assign (segid " " and resid 33 and name HA1) (segid " " and resid 54 and name HB) 3.176 1.261 1.261 weight 1.000 ! spec=3D Cnoesy, no=630, id=1254, vol=1.280000e+07 assign (segid " " and resid 33 and name HA1) (segid " " and resid 54 and name HG11) 2.745 0.942 0.942 weight 1.000 ! spec=3D Cnoesy, no=631, id=1255, vol=8.310000e+07 assign (segid " " and resid 33 and name HA1) (segid " " and resid 55 and name HG21) 2.863 1.063 3.137 weight 1.000 ! spec=3D Cnoesy, no=632, id=1256, vol=7.980000e+07 assign (segid " " and resid 34 and name HA) (segid " " and resid 35 and name HG2) 3.118 1.215 1.215 weight 1.000 ! spec=3D Cnoesy, no=635, id=1259, vol=4.350000e+08 assign (segid " " and resid 34 and name HA) (segid " " and resid 50 and name HA) 2.624 0.861 0.861 weight 1.000 ! spec=3D Cnoesy, no=637, id=1261, vol=3.640000e+07 assign (segid " " and resid 34 and name HA) (segid " " and resid 50 and name HB) 3.405 1.449 1.449 weight 1.000 ! spec=3D Cnoesy, no=638, id=1262, vol=6.670000e+06 assign (segid " " and resid 34 and name HB) (segid " " and resid 29 and name HD21) 3.021 1.141 1.141 weight 1.000 ! spec=3D Cnoesy, no=640, id=1264, vol=2.740000e+08 assign (segid " " and resid 34 and name HA) (segid " " and resid 34 and name HB) 2.776 0.963 0.963 weight 1.000 ! spec=3D Cnoesy, no=643, id=1267, vol=3.800000e+07 assign (segid " " and resid 31 and name HB) (segid " " and resid 34 and name HG11) 2.376 0.706 0.706 weight 1.000 ! spec=3D Cnoesy, no=645, id=1269, vol=3.940000e+07 assign (segid " " and resid 34 and name HA) (segid " " and resid 34 and name HG11) 2.013 0.507 0.507 weight 1.000 ! spec=3D Cnoesy, no=646, id=1270, vol=1.810000e+08 assign (segid " " and resid 34 and name HB) (segid " " and resid 34 and name HG11) 2.057 0.529 0.529 weight 1.000 ! spec=3D Cnoesy, no=647, id=1271, vol=1.120000e+08 assign (segid " " and resid 35 and name HA) (segid " " and resid 35 and name HB2) 2.416 0.730 0.730 weight 1.000 ! spec=3D Cnoesy, no=648, id=1272, vol=1.851000e+00 assign (segid " " and resid 35 and name HA) (segid " " and resid 35 and name HD1) 2.651 0.878 0.878 weight 1.000 ! spec=3D Cnoesy, no=649, id=1273, vol=1.577000e+00 assign (segid " " and resid 35 and name HA) (segid " " and resid 35 and name HG2) 2.382 0.709 0.709 weight 1.000 ! spec=3D Cnoesy, no=650, id=1274, vol=1.417000e+00 assign (segid " " and resid 35 and name HB2) (segid " " and resid 34 and name HA) 4.108 2.110 2.110 weight 1.000 ! spec=3D Cnoesy, no=651, id=1275, vol=3.700000e+06 assign (segid " " and resid 35 and name HB2) (segid " " and resid 35 and name HB1) 2.021 0.511 0.511 weight 1.000 ! spec=3D Cnoesy, no=653, id=1277, vol=1.428000e+00 assign (segid " " and resid 35 and name HB2) (segid " " and resid 35 and name HD1) 2.846 1.013 1.013 weight 1.000 ! spec=3D Cnoesy, no=654, id=1278, vol=1.575000e+00 assign (segid " " and resid 35 and name HB1) (segid " " and resid 34 and name HA) 3.780 1.786 1.786 weight 1.000 ! spec=3D Cnoesy, no=657, id=1281, vol=8.150000e+06 assign (segid " " and resid 35 and name HB1) (segid " " and resid 35 and name HA) 2.791 0.974 0.974 weight 1.000 ! spec=3D Cnoesy, no=658, id=1282, vol=2.880000e+07 assign (segid " " and resid 35 and name HB1) (segid " " and resid 35 and name HD2) 2.712 0.919 0.919 weight 1.000 ! spec=3D Cnoesy, no=660, id=1284, vol=1.609000e+00 assign (segid " " and resid 35 and name HB1) (segid " " and resid 35 and name HE2) 3.890 1.892 1.892 weight 1.000 ! spec=3D Cnoesy, no=661, id=1285, vol=2.390000e+07 assign (segid " " and resid 35 and name HB1) (segid " " and resid 35 and name HE1) 3.880 1.882 1.882 weight 1.000 ! spec=3D Cnoesy, no=662, id=1286, vol=1.900000e+07 assign (segid " " and resid 35 and name HB1) (segid " " and resid 50 and name HA) 3.998 1.998 1.998 weight 1.000 ! spec=3D Cnoesy, no=663, id=1287, vol=5.440000e+06 assign (segid " " and resid 35 and name HD2) (segid " " and resid 35 and name HA) 2.882 1.038 1.038 weight 1.000 ! spec=3D Cnoesy, no=664, id=1288, vol=5.720000e+07 assign (segid " " and resid 35 and name HD2) (segid " " and resid 35 and name HG2) 2.213 0.612 0.612 weight 1.000 ! spec=3D Cnoesy, no=667, id=1291, vol=1.404000e+00 assign (segid " " and resid 35 and name HD2) (segid " " and resid 51 and name HB1) 3.600 1.620 1.620 weight 1.000 ! spec=3D Cnoesy, no=668, id=1292, vol=4.230000e+07 assign (segid " " and resid 35 and name HD1) (segid " " and resid 35 and name HE2) 3.119 1.216 1.216 weight 1.000 ! spec=3D Cnoesy, no=670, id=1294, vol=5.850000e+08 assign (segid " " and resid 35 and name HD1) (segid " " and resid 35 and name HG2) 2.242 0.628 0.628 weight 1.000 ! spec=3D Cnoesy, no=671, id=1295, vol=1.405000e+00 assign (segid " " and resid 35 and name HE2) (segid " " and resid 35 and name HA) 3.552 1.577 1.577 weight 1.000 ! spec=3D Cnoesy, no=673, id=1297, vol=7.600000e+06 assign (segid " " and resid 35 and name HB2) (segid " " and resid 35 and name HE2) 3.456 1.493 1.493 weight 1.000 ! spec=3D Cnoesy, no=674, id=1298, vol=6.470000e+06 assign (segid " " and resid 35 and name HD2) (segid " " and resid 35 and name HE2) 2.860 1.022 1.022 weight 1.000 ! spec=3D Cnoesy, no=675, id=1299, vol=2.680000e+07 assign (segid " " and resid 35 and name HE2) (segid " " and resid 35 and name HG2) 3.019 1.139 1.139 weight 1.000 ! spec=3D Cnoesy, no=677, id=1301, vol=1.460000e+07 assign (segid " " and resid 35 and name HE1) (segid " " and resid 35 and name HA) 3.488 1.520 1.520 weight 1.000 ! spec=3D Cnoesy, no=678, id=1302, vol=5.850000e+06 assign (segid " " and resid 35 and name HB2) (segid " " and resid 35 and name HE1) 3.290 1.353 1.353 weight 1.000 ! spec=3D Cnoesy, no=679, id=1303, vol=1.120000e+07 assign (segid " " and resid 35 and name HD2) (segid " " and resid 35 and name HE1) 2.592 0.840 0.840 weight 1.000 ! spec=3D Cnoesy, no=680, id=1304, vol=1.140000e+09 assign (segid " " and resid 35 and name HE2) (segid " " and resid 35 and name HE1) 1.568 0.307 0.307 weight 1.000 ! spec=3D Cnoesy, no=681, id=1305, vol=2.979000e+00 assign (segid " " and resid 35 and name HE1) (segid " " and resid 35 and name HG2) 2.857 1.020 1.020 weight 1.000 ! spec=3D Cnoesy, no=682, id=1306, vol=1.010000e+09 assign (segid " " and resid 35 and name HG2) (segid " " and resid 35 and name HB2) 2.646 0.875 0.875 weight 1.000 ! spec=3D Cnoesy, no=685, id=1309, vol=1.849000e+00 assign (segid " " and resid 35 and name HG2) (segid " " and resid 51 and name HB2) 3.477 1.511 1.511 weight 1.000 ! spec=3D Cnoesy, no=688, id=1312, vol=6.890000e+07 assign (segid " " and resid 35 and name HG1) (segid " " and resid 34 and name HA) 3.801 1.806 1.806 weight 1.000 ! spec=3D Cnoesy, no=690, id=1314, vol=5.350000e+06 assign (segid " " and resid 35 and name HG1) (segid " " and resid 35 and name HA) 3.031 1.148 1.148 weight 1.000 ! spec=3D Cnoesy, no=691, id=1315, vol=1.400000e+08 assign (segid " " and resid 35 and name HG1) (segid " " and resid 35 and name HB2) 2.630 0.865 0.865 weight 1.000 ! spec=3D Cnoesy, no=692, id=1316, vol=1.847000e+00 assign (segid " " and resid 35 and name HG1) (segid " " and resid 35 and name HD2) 2.298 0.660 0.660 weight 1.000 ! spec=3D Cnoesy, no=693, id=1317, vol=1.589000e+00 assign (segid " " and resid 35 and name HG1) (segid " " and resid 50 and name HA) 3.754 1.761 1.761 weight 1.000 ! spec=3D Cnoesy, no=694, id=1318, vol=4.290000e+07 assign (segid " " and resid 35 and name HG1) (segid " " and resid 51 and name HB2) 3.491 1.524 1.524 weight 1.000 ! spec=3D Cnoesy, no=695, id=1319, vol=1.100000e+08 assign (segid " " and resid 35 and name HG1) (segid " " and resid 51 and name HB1) 3.612 1.631 1.631 weight 1.000 ! spec=3D Cnoesy, no=696, id=1320, vol=3.030000e+07 assign (segid " " and resid 36 and name HA) (segid " " and resid 36 and name HB2) 2.686 0.902 0.902 weight 1.000 ! spec=3D Cnoesy, no=698, id=1322, vol=1.963000e+00 assign (segid " " and resid 36 and name HA) (segid " " and resid 36 and name HB1) 2.657 0.882 0.882 weight 1.000 ! spec=3D Cnoesy, no=699, id=1323, vol=1.859000e+00 assign (segid " " and resid 36 and name HA) (segid " " and resid 36 and name HG2) 2.595 0.842 0.842 weight 1.000 ! spec=3D Cnoesy, no=700, id=1324, vol=2.173000e+00 assign (segid " " and resid 36 and name HB2) (segid " " and resid 36 and name HB1) 2.005 0.502 0.502 weight 1.000 ! spec=3D Cnoesy, no=702, id=1326, vol=1.863000e+00 assign (segid " " and resid 36 and name HB2) (segid " " and resid 36 and name HG2) 2.370 0.702 0.702 weight 1.000 ! spec=3D Cnoesy, no=703, id=1327, vol=2.164000e+00 assign (segid " " and resid 36 and name HB2) (segid " " and resid 49 and name HB2) 2.862 1.062 3.138 weight 1.000 ! spec=3D Cnoesy, no=704, id=1328, vol=1.608000e+00 assign (segid " " and resid 36 and name HB1) (segid " " and resid 36 and name HG2) 2.321 0.673 0.673 weight 1.000 ! spec=3D Cnoesy, no=707, id=1331, vol=2.165000e+00 assign (segid " " and resid 36 and name HG2) (segid " " and resid 35 and name HB1) 2.975 1.175 3.025 weight 1.000 ! spec=3D Cnoesy, no=709, id=1333, vol=1.437000e+00 assign (segid " " and resid 36 and name HG2) (segid " " and resid 38 and name HD11) 3.204 1.283 1.283 weight 1.000 ! spec=3D Cnoesy, no=712, id=1336, vol=1.790000e+07 assign (segid " " and resid 36 and name HG2) (segid " " and resid 49 and name HB2) 3.021 1.141 1.141 weight 1.000 ! spec=3D Cnoesy, no=713, id=1337, vol=1.612000e+00 assign (segid " " and resid 37 and name HB) (segid " " and resid 25 and name HA) 3.873 1.875 1.875 weight 1.000 ! spec=3D Cnoesy, no=715, id=1339, vol=5.640000e+06 assign (segid " " and resid 37 and name HB) (segid " " and resid 25 and name HE2) 3.577 1.599 1.599 weight 1.000 ! spec=3D Cnoesy, no=716, id=1340, vol=1.300000e+07 assign (segid " " and resid 37 and name HB) (segid " " and resid 25 and name HG2) 2.860 1.022 1.022 weight 1.000 ! spec=3D Cnoesy, no=717, id=1341, vol=4.850000e+07 assign (segid " " and resid 37 and name HB) (segid " " and resid 36 and name HA) 3.665 1.679 1.679 weight 1.000 ! spec=3D Cnoesy, no=718, id=1342, vol=7.650000e+07 assign (segid " " and resid 37 and name HB) (segid " " and resid 37 and name HA) 3.149 1.239 1.239 weight 1.000 ! spec=3D Cnoesy, no=719, id=1343, vol=3.060000e+07 assign (segid " " and resid 25 and name HB2) (segid " " and resid 37 and name HG11) 3.404 1.449 1.449 weight 1.000 ! spec=3D Cnoesy, no=722, id=1346, vol=2.155000e+00 assign (segid " " and resid 37 and name HG11) (segid " " and resid 28 and name HB2) 2.620 0.820 3.380 weight 1.000 ! spec=3D Cnoesy, no=723, id=1347, vol=1.983000e+00 assign (segid " " and resid 37 and name HG11) (segid " " and resid 37 and name HA) 2.334 0.681 0.681 weight 1.000 ! spec=3D Cnoesy, no=724, id=1348, vol=3.890000e+07 assign (segid " " and resid 37 and name HB) (segid " " and resid 37 and name HG11) 2.145 0.575 0.575 weight 1.000 ! spec=3D Cnoesy, no=725, id=1349, vol=1.752000e+00 assign (segid " " and resid 37 and name HG11) (segid " " and resid 48 and name HA) 3.337 1.392 1.392 weight 1.000 ! spec=3D Cnoesy, no=726, id=1350, vol=4.440000e+06 assign (segid " " and resid 37 and name HG21) (segid " " and resid 25 and name HA) 3.160 1.248 1.248 weight 1.000 ! spec=3D Cnoesy, no=727, id=1351, vol=8.150000e+08 assign (segid " " and resid 28 and name HB2) (segid " " and resid 37 and name HG21) 2.371 0.703 0.703 weight 1.000 ! spec=3D Cnoesy, no=728, id=1352, vol=1.979000e+00 assign (segid " " and resid 37 and name HG21) (segid " " and resid 37 and name HA) 2.410 0.726 0.726 weight 1.000 ! spec=3D Cnoesy, no=729, id=1353, vol=4.060000e+08 assign (segid " " and resid 37 and name HG21) (segid " " and resid 37 and name HB) 2.154 0.354 3.846 weight 1.000 ! spec=3D Cnoesy, no=730, id=1354, vol=1.756000e+00 assign (segid " " and resid 37 and name HG21) (segid " " and resid 48 and name HA) 2.907 1.057 1.057 weight 1.000 ! spec=3D Cnoesy, no=731, id=1355, vol=1.550000e+08 assign (segid " " and resid 38 and name HB2) (segid " " and resid 38 and name HA) 2.843 1.010 1.010 weight 1.000 ! spec=3D Cnoesy, no=732, id=1356, vol=2.940000e+08 assign (segid " " and resid 38 and name HB2) (segid " " and resid 38 and name HB1) 2.031 0.516 0.516 weight 1.000 ! spec=3D Cnoesy, no=733, id=1357, vol=2.070000e+09 assign (segid " " and resid 38 and name HB2) (segid " " and resid 38 and name HD11) 2.882 1.038 1.038 weight 1.000 ! spec=3D Cnoesy, no=734, id=1358, vol=6.110000e+08 assign (segid " " and resid 38 and name HB2) (segid " " and resid 47 and name HB2) 3.130 1.225 1.225 weight 1.000 ! spec=3D Cnoesy, no=736, id=1360, vol=1.550000e+08 assign (segid " " and resid 38 and name HB1) (segid " " and resid 38 and name HA) 2.815 0.991 0.991 weight 1.000 ! spec=3D Cnoesy, no=737, id=1361, vol=2.690000e+08 assign (segid " " and resid 38 and name HB1) (segid " " and resid 47 and name HB2) 3.072 1.180 1.180 weight 1.000 ! spec=3D Cnoesy, no=739, id=1363, vol=1.560000e+08 assign (segid " " and resid 38 and name HD11) (segid " " and resid 38 and name HA) 2.830 1.001 1.001 weight 1.000 ! spec=3D Cnoesy, no=740, id=1364, vol=4.720000e+08 assign (segid " " and resid 38 and name HD11) (segid " " and resid 38 and name HB1) 2.500 0.781 0.781 weight 1.000 ! spec=3D Cnoesy, no=741, id=1365, vol=1.620000e+00 assign (segid " " and resid 38 and name HD11) (segid " " and resid 38 and name HG) 2.570 0.825 0.825 weight 1.000 ! spec=3D Cnoesy, no=742, id=1366, vol=1.472000e+00 assign (segid " " and resid 38 and name HD11) (segid " " and resid 47 and name HB2) 3.197 1.278 1.278 weight 1.000 ! spec=3D Cnoesy, no=743, id=1367, vol=9.720000e+06 assign (segid " " and resid 38 and name HD21) (segid " " and resid 38 and name HA) 2.968 1.101 1.101 weight 1.000 ! spec=3D Cnoesy, no=744, id=1368, vol=5.590000e+08 assign (segid " " and resid 38 and name HD21) (segid " " and resid 38 and name HB2) 2.562 0.821 0.821 weight 1.000 ! spec=3D Cnoesy, no=745, id=1369, vol=1.695000e+00 assign (segid " " and resid 38 and name HD21) (segid " " and resid 38 and name HB1) 2.626 0.862 0.862 weight 1.000 ! spec=3D Cnoesy, no=746, id=1370, vol=1.612000e+00 assign (segid " " and resid 38 and name HD21) (segid " " and resid 38 and name HG) 2.426 0.736 0.736 weight 1.000 ! spec=3D Cnoesy, no=747, id=1371, vol=1.473000e+00 assign (segid " " and resid 38 and name HD21) (segid " " and resid 47 and name HB2) 2.909 1.058 1.058 weight 1.000 ! spec=3D Cnoesy, no=748, id=1372, vol=1.670000e+07 assign (segid " " and resid 38 and name HG) (segid " " and resid 38 and name HA) 2.893 1.046 1.046 weight 1.000 ! spec=3D Cnoesy, no=749, id=1373, vol=2.060000e+07 assign (segid " " and resid 38 and name HB2) (segid " " and resid 38 and name HG) 2.300 0.662 0.662 weight 1.000 ! spec=3D Cnoesy, no=750, id=1374, vol=1.690000e+00 assign (segid " " and resid 38 and name HG) (segid " " and resid 47 and name HB2) 3.523 1.552 1.552 weight 1.000 ! spec=3D Cnoesy, no=751, id=1375, vol=1.080000e+07 assign (segid " " and resid 39 and name HA) (segid " " and resid 39 and name HB) 2.995 1.121 1.121 weight 1.000 ! spec=3D Cnoesy, no=752, id=1376, vol=2.014000e+00 assign (segid " " and resid 39 and name HA) (segid " " and resid 39 and name HG11) 3.129 1.224 1.224 weight 1.000 ! spec=3D Cnoesy, no=755, id=1379, vol=1.209000e+00 assign (segid " " and resid 39 and name HA) (segid " " and resid 46 and name HA) 2.554 0.815 0.815 weight 1.000 ! spec=3D Cnoesy, no=758, id=1382, vol=5.088000e+00 assign (segid " " and resid 39 and name HB) (segid " " and resid 38 and name HA) 3.459 1.495 1.495 weight 1.000 ! spec=3D Cnoesy, no=760, id=1384, vol=1.140000e+07 assign (segid " " and resid 39 and name HD11) (segid " " and resid 22 and name HA) 3.759 1.766 1.766 weight 1.000 ! spec=3D Cnoesy, no=765, id=1389, vol=2.590000e+06 assign (segid " " and resid 25 and name HA) (segid " " and resid 39 and name HD11) 2.821 0.995 0.995 weight 1.000 ! spec=3D Cnoesy, no=766, id=1390, vol=1.340000e+07 assign (segid " " and resid 25 and name HB2) (segid " " and resid 39 and name HD11) 3.339 1.394 1.394 weight 1.000 ! spec=3D Cnoesy, no=767, id=1391, vol=5.840000e+06 assign (segid " " and resid 25 and name HB1) (segid " " and resid 39 and name HD11) 2.508 0.786 0.786 weight 1.000 ! spec=3D Cnoesy, no=768, id=1392, vol=2.910000e+07 assign (segid " " and resid 39 and name HD11) (segid " " and resid 37 and name HG11) 2.069 0.535 0.535 weight 1.000 ! spec=3D Cnoesy, no=769, id=1393, vol=7.720000e-01 assign (segid " " and resid 39 and name HA) (segid " " and resid 39 and name HD11) 2.360 0.696 0.696 weight 1.000 ! spec=3D Cnoesy, no=770, id=1394, vol=3.910000e+07 assign (segid " " and resid 39 and name HD11) (segid " " and resid 39 and name HB) 2.539 0.806 0.806 weight 1.000 ! spec=3D Cnoesy, no=771, id=1395, vol=2.760000e+07 assign (segid " " and resid 39 and name HD11) (segid " " and resid 39 and name HG12) 2.399 0.719 0.719 weight 1.000 ! spec=3D Cnoesy, no=772, id=1396, vol=1.190000e+08 assign (segid " " and resid 39 and name HD11) (segid " " and resid 39 and name HG11) 2.423 0.734 0.734 weight 1.000 ! spec=3D Cnoesy, no=773, id=1397, vol=1.280000e+08 assign (segid " " and resid 39 and name HD11) (segid " " and resid 46 and name HA) 2.888 1.043 1.043 weight 1.000 ! spec=3D Cnoesy, no=774, id=1398, vol=1.120000e+07 assign (segid " " and resid 39 and name HD11) (segid " " and resid 46 and name HB1) 2.238 0.438 3.762 weight 1.000 ! spec=3D Cnoesy, no=775, id=1399, vol=9.110000e-01 assign (segid " " and resid 39 and name HG12) (segid " " and resid 38 and name HA) 3.791 1.991 2.209 weight 1.000 ! spec=3D Cnoesy, no=776, id=1400, vol=1.600000e+07 assign (segid " " and resid 39 and name HA) (segid " " and resid 39 and name HG12) 3.103 1.203 1.203 weight 1.000 ! spec=3D Cnoesy, no=777, id=1401, vol=5.180000e+08 assign (segid " " and resid 39 and name HB) (segid " " and resid 39 and name HG12) 2.600 0.845 0.845 weight 1.000 ! spec=3D Cnoesy, no=778, id=1402, vol=2.004000e+00 assign (segid " " and resid 39 and name HG11) (segid " " and resid 25 and name HB2) 3.573 1.596 1.596 weight 1.000 ! spec=3D Cnoesy, no=780, id=1404, vol=6.780000e+06 assign (segid " " and resid 39 and name HG11) (segid " " and resid 38 and name HA) 3.948 1.948 1.948 weight 1.000 ! spec=3D Cnoesy, no=781, id=1405, vol=9.560000e+06 assign (segid " " and resid 39 and name HB) (segid " " and resid 39 and name HG11) 2.694 0.907 0.907 weight 1.000 ! spec=3D Cnoesy, no=782, id=1406, vol=2.009000e+00 assign (segid " " and resid 39 and name HG12) (segid " " and resid 39 and name HG11) 2.003 0.501 0.501 weight 1.000 ! spec=3D Cnoesy, no=784, id=1408, vol=1.335000e+00 assign (segid " " and resid 20 and name HB1) (segid " " and resid 39 and name HG21) 2.210 0.611 0.611 weight 1.000 ! spec=3D Cnoesy, no=785, id=1409, vol=9.160000e-01 assign (segid " " and resid 39 and name HA) (segid " " and resid 39 and name HG21) 2.306 0.665 0.665 weight 1.000 ! spec=3D Cnoesy, no=786, id=1410, vol=4.450000e+07 assign (segid " " and resid 39 and name HB) (segid " " and resid 39 and name HG21) 2.142 0.342 3.858 weight 1.000 ! spec=3D Cnoesy, no=787, id=1411, vol=2.009000e+00 assign (segid " " and resid 39 and name HG21) (segid " " and resid 39 and name HG12) 2.435 0.741 0.741 weight 1.000 ! spec=3D Cnoesy, no=788, id=1412, vol=1.343000e+00 assign (segid " " and resid 39 and name HG21) (segid " " and resid 39 and name HG11) 2.616 0.856 0.856 weight 1.000 ! spec=3D Cnoesy, no=789, id=1413, vol=1.201000e+00 assign (segid " " and resid 39 and name HG21) (segid " " and resid 40 and name HA) 3.160 1.248 1.248 weight 1.000 ! spec=3D Cnoesy, no=790, id=1414, vol=5.770000e+06 assign (segid " " and resid 39 and name HG21) (segid " " and resid 41 and name HA) 2.817 0.992 0.992 weight 1.000 ! spec=3D Cnoesy, no=791, id=1415, vol=1.380000e+07 assign (segid " " and resid 39 and name HG21) (segid " " and resid 41 and name HB2) 2.898 1.098 3.102 weight 1.000 ! spec=3D Cnoesy, no=792, id=1416, vol=2.098000e+00 assign (segid " " and resid 39 and name HG21) (segid " " and resid 41 and name HG2) 2.668 0.890 0.890 weight 1.000 ! spec=3D Cnoesy, no=793, id=1417, vol=1.640000e+07 assign (segid " " and resid 39 and name HG21) (segid " " and resid 46 and name HA) 3.365 1.415 1.415 weight 1.000 ! spec=3D Cnoesy, no=794, id=1418, vol=4.360000e+06 assign (segid " " and resid 39 and name HA) (segid " " and resid 40 and name HB1) 3.060 1.260 2.940 weight 1.000 ! spec=3D Cnoesy, no=796, id=1420, vol=1.140000e+07 assign (segid " " and resid 40 and name HB1) (segid " " and resid 39 and name HG21) 3.326 1.382 1.382 weight 1.000 ! spec=3D Cnoesy, no=797, id=1421, vol=5.960000e-01 assign (segid " " and resid 40 and name HA) (segid " " and resid 40 and name HB1) 2.090 0.290 3.910 weight 1.000 ! spec=3D Cnoesy, no=798, id=1422, vol=5.990000e+07 assign (segid " " and resid 40 and name HB1) (segid " " and resid 43 and name HB1) 2.550 0.813 0.813 weight 1.000 ! spec=3D Cnoesy, no=799, id=1423, vol=1.991000e+00 assign (segid " " and resid 40 and name HB1) (segid " " and resid 43 and name HG2) 2.905 1.055 1.055 weight 1.000 ! spec=3D Cnoesy, no=800, id=1424, vol=2.311000e+00 assign (segid " " and resid 40 and name HB1) (segid " " and resid 43 and name HG1) 2.662 0.862 3.338 weight 1.000 ! spec=3D Cnoesy, no=801, id=1425, vol=2.183000e+00 assign (segid " " and resid 40 and name HB1) (segid " " and resid 44 and name HA) 2.956 1.156 3.044 weight 1.000 ! spec=3D Cnoesy, no=802, id=1426, vol=1.150000e+07 assign (segid " " and resid 40 and name HB1) (segid " " and resid 46 and name HA) 3.305 1.365 1.365 weight 1.000 ! spec=3D Cnoesy, no=804, id=1428, vol=6.990000e+06 assign (segid " " and resid 41 and name HA) (segid " " and resid 14 and name HD11) 3.699 1.710 1.710 weight 1.000 ! spec=3D Cnoesy, no=805, id=1429, vol=3.740000e-01 assign (segid " " and resid 41 and name HA) (segid " " and resid 40 and name HA) 3.424 1.465 1.465 weight 1.000 ! spec=3D Cnoesy, no=808, id=1432, vol=4.838000e+00 assign (segid " " and resid 41 and name HA) (segid " " and resid 41 and name HB2) 2.173 0.373 3.827 weight 1.000 ! spec=3D Cnoesy, no=809, id=1433, vol=2.107000e+00 assign (segid " " and resid 41 and name HA) (segid " " and resid 41 and name HG2) 2.480 0.769 0.769 weight 1.000 ! spec=3D Cnoesy, no=810, id=1434, vol=3.640000e+07 assign (segid " " and resid 20 and name HB1) (segid " " and resid 41 and name HB2) 3.109 1.208 1.208 weight 1.000 ! spec=3D Cnoesy, no=811, id=1435, vol=9.230000e-01 assign (segid " " and resid 41 and name HB2) (segid " " and resid 40 and name HA) 3.353 1.405 1.405 weight 1.000 ! spec=3D Cnoesy, no=813, id=1437, vol=1.030000e+08 assign (segid " " and resid 20 and name HB1) (segid " " and resid 41 and name HG2) 3.003 1.127 1.127 weight 1.000 ! spec=3D Cnoesy, no=816, id=1440, vol=1.000000e+07 assign (segid " " and resid 41 and name HG2) (segid " " and resid 40 and name HA) 3.370 1.570 2.630 weight 1.000 ! spec=3D Cnoesy, no=818, id=1442, vol=4.570000e+06 assign (segid " " and resid 41 and name HB2) (segid " " and resid 41 and name HG2) 1.699 -0.101 4.301 weight 1.000 ! spec=3D Cnoesy, no=820, id=1444, vol=2.107000e+00 assign (segid " " and resid 42 and name HA) (segid " " and resid 42 and name HB2) 2.127 0.565 0.565 weight 1.000 ! spec=3D Cnoesy, no=821, id=1445, vol=2.094000e+00 assign (segid " " and resid 42 and name HA) (segid " " and resid 42 and name HG1) 2.613 0.853 0.853 weight 1.000 ! spec=3D Cnoesy, no=822, id=1446, vol=2.355000e+00 assign (segid " " and resid 42 and name HB2) (segid " " and resid 42 and name HG1) 1.900 0.451 0.451 weight 1.000 ! spec=3D Cnoesy, no=824, id=1448, vol=2.358000e+00 assign (segid " " and resid 42 and name HG2) (segid " " and resid 42 and name HA) 2.882 1.038 1.038 weight 1.000 ! spec=3D Cnoesy, no=825, id=1449, vol=7.270000e+08 assign (segid " " and resid 43 and name HA) (segid " " and resid 43 and name HB2) 2.409 0.725 0.725 weight 1.000 ! spec=3D Cnoesy, no=827, id=1451, vol=2.170000e+00 assign (segid " " and resid 43 and name HA) (segid " " and resid 43 and name HB1) 2.692 0.906 0.906 weight 1.000 ! spec=3D Cnoesy, no=828, id=1452, vol=1.994000e+00 assign (segid " " and resid 43 and name HA) (segid " " and resid 43 and name HG2) 2.581 0.833 0.833 weight 1.000 ! spec=3D Cnoesy, no=829, id=1453, vol=2.303000e+00 assign (segid " " and resid 43 and name HB2) (segid " " and resid 40 and name HB1) 3.127 1.222 1.222 weight 1.000 ! spec=3D Cnoesy, no=830, id=1454, vol=2.050000e+07 assign (segid " " and resid 43 and name HB2) (segid " " and resid 43 and name HG2) 2.411 0.726 0.726 weight 1.000 ! spec=3D Cnoesy, no=833, id=1457, vol=2.288000e+00 assign (segid " " and resid 43 and name HB2) (segid " " and resid 43 and name HB1) 2.040 0.520 0.520 weight 1.000 ! spec=3D Cnoesy, no=837, id=1461, vol=2.172000e+00 assign (segid " " and resid 43 and name HB1) (segid " " and resid 43 and name HG2) 2.466 0.760 0.760 weight 1.000 ! spec=3D Cnoesy, no=838, id=1462, vol=2.288000e+00 assign (segid " " and resid 43 and name HG2) (segid " " and resid 45 and name HB2) 3.497 1.529 1.529 weight 1.000 ! spec=3D Cnoesy, no=842, id=1466, vol=4.250000e+07 assign (segid " " and resid 43 and name HG1) (segid " " and resid 43 and name HA) 2.818 0.993 0.993 weight 1.000 ! spec=3D Cnoesy, no=844, id=1468, vol=4.900000e+08 assign (segid " " and resid 43 and name HG1) (segid " " and resid 45 and name HB2) 3.506 1.536 1.536 weight 1.000 ! spec=3D Cnoesy, no=845, id=1469, vol=3.840000e+07 assign (segid " " and resid 44 and name HA) (segid " " and resid 20 and name HB1) 3.052 1.164 1.164 weight 1.000 ! spec=3D Cnoesy, no=847, id=1471, vol=9.170000e-01 assign (segid " " and resid 44 and name HA) (segid " " and resid 44 and name HB2) 2.502 0.782 0.782 weight 1.000 ! spec=3D Cnoesy, no=848, id=1472, vol=3.883000e+00 assign (segid " " and resid 44 and name HA) (segid " " and resid 44 and name HB1) 2.572 0.827 0.827 weight 1.000 ! spec=3D Cnoesy, no=851, id=1475, vol=3.150000e+08 assign (segid " " and resid 44 and name HB2) (segid " " and resid 44 and name HB1) 2.045 0.523 0.523 weight 1.000 ! spec=3D Cnoesy, no=852, id=1476, vol=1.970000e+08 assign (segid " " and resid 13 and name HA) (segid " " and resid 45 and name HA) 2.515 0.791 0.791 weight 1.000 ! spec=3D Cnoesy, no=853, id=1477, vol=4.305000e+00 assign (segid " " and resid 14 and name HG12) (segid " " and resid 45 and name HA) 2.680 0.898 0.898 weight 1.000 ! spec=3D Cnoesy, no=855, id=1479, vol=1.374000e+00 assign (segid " " and resid 45 and name HA) (segid " " and resid 46 and name HB1) 2.863 1.063 3.137 weight 1.000 ! spec=3D Cnoesy, no=857, id=1481, vol=9.040000e-01 assign (segid " " and resid 11 and name HG2) (segid " " and resid 45 and name HB2) 2.920 1.066 1.066 weight 1.000 ! spec=3D Cnoesy, no=858, id=1482, vol=1.940000e+07 assign (segid " " and resid 11 and name HG1) (segid " " and resid 45 and name HB2) 2.959 1.094 1.094 weight 1.000 ! spec=3D Cnoesy, no=859, id=1483, vol=1.770000e+07 assign (segid " " and resid 13 and name HA) (segid " " and resid 45 and name HB2) 2.913 1.113 3.087 weight 1.000 ! spec=3D Cnoesy, no=860, id=1484, vol=1.650000e+07 assign (segid " " and resid 40 and name HB1) (segid " " and resid 45 and name HB2) 2.729 0.931 0.931 weight 1.000 ! spec=3D Cnoesy, no=861, id=1485, vol=2.170000e+07 assign (segid " " and resid 43 and name HB2) (segid " " and resid 45 and name HB2) 2.882 1.038 1.038 weight 1.000 ! spec=3D Cnoesy, no=862, id=1486, vol=2.150000e+07 assign (segid " " and resid 43 and name HB1) (segid " " and resid 45 and name HB2) 2.970 1.103 1.103 weight 1.000 ! spec=3D Cnoesy, no=863, id=1487, vol=1.210000e+07 assign (segid " " and resid 45 and name HA) (segid " " and resid 45 and name HB2) 2.401 0.720 0.720 weight 1.000 ! spec=3D Cnoesy, no=864, id=1488, vol=4.720000e+07 assign (segid " " and resid 46 and name HA) (segid " " and resid 47 and name HB2) 3.640 1.657 1.657 weight 1.000 ! spec=3D Cnoesy, no=869, id=1493, vol=2.740000e+07 assign (segid " " and resid 12 and name HB) (segid " " and resid 46 and name HB1) 2.551 0.751 3.449 weight 1.000 ! spec=3D Cnoesy, no=870, id=1494, vol=1.661000e+00 assign (segid " " and resid 46 and name HB1) (segid " " and resid 14 and name HG12) 2.626 0.862 0.862 weight 1.000 ! spec=3D Cnoesy, no=872, id=1496, vol=1.394000e+00 assign (segid " " and resid 39 and name HA) (segid " " and resid 46 and name HB1) 2.743 0.940 0.940 weight 1.000 ! spec=3D Cnoesy, no=873, id=1497, vol=9.900000e+08 assign (segid " " and resid 46 and name HA) (segid " " and resid 46 and name HB1) 2.294 0.658 0.658 weight 1.000 ! spec=3D Cnoesy, no=875, id=1499, vol=5.010000e+07 assign (segid " " and resid 47 and name HA) (segid " " and resid 47 and name HB2) 2.874 1.032 1.032 weight 1.000 ! spec=3D Cnoesy, no=876, id=1500, vol=2.827000e+00 assign (segid " " and resid 47 and name HA) (segid " " and resid 47 and name HB1) 2.772 0.961 0.961 weight 1.000 ! spec=3D Cnoesy, no=877, id=1501, vol=2.757000e+00 assign (segid " " and resid 47 and name HA) (segid " " and resid 47 and name HD2) 3.117 1.214 1.214 weight 1.000 ! spec=3D Cnoesy, no=878, id=1502, vol=6.864000e+00 assign (segid " " and resid 47 and name HA) (segid " " and resid 48 and name HB) 3.014 1.214 2.986 weight 1.000 ! spec=3D Cnoesy, no=879, id=1503, vol=1.961000e+00 assign (segid " " and resid 47 and name HA) (segid " " and resid 48 and name HG21) 2.737 0.936 0.936 weight 1.000 ! spec=3D Cnoesy, no=880, id=1504, vol=7.710000e-01 assign (segid " " and resid 47 and name HB2) (segid " " and resid 47 and name HB1) 2.250 0.633 0.633 weight 1.000 ! spec=3D Cnoesy, no=885, id=1509, vol=2.771000e+00 assign (segid " " and resid 47 and name HB2) (segid " " and resid 47 and name HD2) 2.956 1.092 1.092 weight 1.000 ! spec=3D Cnoesy, no=886, id=1510, vol=8.400000e+07 assign (segid " " and resid 47 and name HB1) (segid " " and resid 38 and name HB2) 3.283 1.347 1.347 weight 1.000 ! spec=3D Cnoesy, no=887, id=1511, vol=1.880000e+08 assign (segid " " and resid 47 and name HB1) (segid " " and resid 38 and name HB1) 3.415 1.458 1.458 weight 1.000 ! spec=3D Cnoesy, no=888, id=1512, vol=2.150000e+08 assign (segid " " and resid 47 and name HB1) (segid " " and resid 38 and name HD21) 3.557 1.582 1.582 weight 1.000 ! spec=3D Cnoesy, no=889, id=1513, vol=1.950000e+08 assign (segid " " and resid 47 and name HB1) (segid " " and resid 47 and name HD2) 3.044 1.158 1.158 weight 1.000 ! spec=3D Cnoesy, no=892, id=1516, vol=1.130000e+08 assign (segid " " and resid 48 and name HA) (segid " " and resid 37 and name HA) 2.659 0.884 0.884 weight 1.000 ! spec=3D Cnoesy, no=893, id=1517, vol=4.693000e+00 assign (segid " " and resid 48 and name HA) (segid " " and resid 48 and name HB) 2.728 0.930 0.930 weight 1.000 ! spec=3D Cnoesy, no=894, id=1518, vol=1.959000e+00 assign (segid " " and resid 48 and name HA) (segid " " and resid 48 and name HG21) 2.454 0.753 0.753 weight 1.000 ! spec=3D Cnoesy, no=896, id=1520, vol=7.820000e-01 assign (segid " " and resid 10 and name HB2) (segid " " and resid 48 and name HB) 2.800 0.980 0.980 weight 1.000 ! spec=3D Cnoesy, no=897, id=1521, vol=1.563000e+00 assign (segid " " and resid 34 and name HA) (segid " " and resid 48 and name HG11) 2.974 1.105 1.105 weight 1.000 ! spec=3D Cnoesy, no=903, id=1527, vol=1.250000e+07 assign (segid " " and resid 48 and name HG11) (segid " " and resid 37 and name HA) 2.924 1.069 1.069 weight 1.000 ! spec=3D Cnoesy, no=904, id=1528, vol=7.640000e+08 assign (segid " " and resid 48 and name HA) (segid " " and resid 48 and name HG11) 2.372 0.703 0.703 weight 1.000 ! spec=3D Cnoesy, no=905, id=1529, vol=3.140000e+07 assign (segid " " and resid 48 and name HB) (segid " " and resid 48 and name HG11) 2.215 0.613 0.613 weight 1.000 ! spec=3D Cnoesy, no=906, id=1530, vol=1.971000e+00 assign (segid " " and resid 48 and name HG21) (segid " " and resid 10 and name HG) 2.783 0.983 3.217 weight 1.000 ! spec=3D Cnoesy, no=907, id=1531, vol=1.552000e+00 assign (segid " " and resid 48 and name HG21) (segid " " and resid 37 and name HA) 3.173 1.259 1.259 weight 1.000 ! spec=3D Cnoesy, no=908, id=1532, vol=5.210000e+06 assign (segid " " and resid 48 and name HB) (segid " " and resid 48 and name HG21) 2.208 0.609 0.609 weight 1.000 ! spec=3D Cnoesy, no=911, id=1535, vol=1.970000e+00 assign (segid " " and resid 49 and name HA) (segid " " and resid 49 and name HB2) 2.625 0.861 0.861 weight 1.000 ! spec=3D Cnoesy, no=912, id=1536, vol=1.614000e+00 assign (segid " " and resid 49 and name HA) (segid " " and resid 49 and name HG2) 2.933 1.075 1.075 weight 1.000 ! spec=3D Cnoesy, no=913, id=1537, vol=1.476000e+00 assign (segid " " and resid 49 and name HA) (segid " " and resid 49 and name HG1) 3.018 1.138 1.138 weight 1.000 ! spec=3D Cnoesy, no=914, id=1538, vol=1.265000e+00 assign (segid " " and resid 49 and name HA) (segid " " and resid 50 and name HG11) 3.244 1.316 1.316 weight 1.000 ! spec=3D Cnoesy, no=915, id=1539, vol=8.770000e-01 assign (segid " " and resid 49 and name HA) (segid " " and resid 50 and name HG21) 3.444 1.483 1.483 weight 1.000 ! spec=3D Cnoesy, no=916, id=1540, vol=7.710000e-01 assign (segid " " and resid 49 and name HB2) (segid " " and resid 7 and name HG11) 3.095 1.197 1.197 weight 1.000 ! spec=3D Cnoesy, no=917, id=1541, vol=8.660000e-01 assign (segid " " and resid 36 and name HB1) (segid " " and resid 49 and name HB2) 2.843 1.010 1.010 weight 1.000 ! spec=3D Cnoesy, no=918, id=1542, vol=1.848000e+00 assign (segid " " and resid 49 and name HB2) (segid " " and resid 48 and name HA) 3.721 1.731 1.731 weight 1.000 ! spec=3D Cnoesy, no=920, id=1544, vol=4.927000e+00 assign (segid " " and resid 49 and name HB2) (segid " " and resid 49 and name HD1) 2.378 0.707 0.707 weight 1.000 ! spec=3D Cnoesy, no=922, id=1546, vol=1.476000e+00 assign (segid " " and resid 49 and name HB2) (segid " " and resid 49 and name HE2) 3.197 1.277 1.277 weight 1.000 ! spec=3D Cnoesy, no=923, id=1547, vol=2.100000e+07 assign (segid " " and resid 49 and name HB2) (segid " " and resid 49 and name HG1) 2.832 1.002 1.002 weight 1.000 ! spec=3D Cnoesy, no=924, id=1548, vol=1.268000e+00 assign (segid " " and resid 49 and name HD2) (segid " " and resid 7 and name HG11) 3.264 1.332 1.332 weight 1.000 ! spec=3D Cnoesy, no=925, id=1549, vol=8.560000e-01 assign (segid " " and resid 49 and name HD2) (segid " " and resid 49 and name HE2) 2.770 0.959 0.959 weight 1.000 ! spec=3D Cnoesy, no=926, id=1550, vol=7.190000e+08 assign (segid " " and resid 49 and name HD2) (segid " " and resid 49 and name HG1) 2.473 0.764 0.764 weight 1.000 ! spec=3D Cnoesy, no=927, id=1551, vol=1.262000e+00 assign (segid " " and resid 49 and name HD1) (segid " " and resid 7 and name HG11) 3.230 1.304 1.304 weight 1.000 ! spec=3D Cnoesy, no=928, id=1552, vol=8.630000e-01 assign (segid " " and resid 49 and name HD1) (segid " " and resid 49 and name HG1) 2.474 0.765 0.765 weight 1.000 ! spec=3D Cnoesy, no=930, id=1554, vol=1.263000e+00 assign (segid " " and resid 36 and name HG2) (segid " " and resid 49 and name HE2) 3.711 1.722 1.722 weight 1.000 ! spec=3D Cnoesy, no=932, id=1556, vol=2.163000e+00 assign (segid " " and resid 49 and name HE2) (segid " " and resid 38 and name HD11) 2.977 1.108 1.108 weight 1.000 ! spec=3D Cnoesy, no=933, id=1557, vol=4.070000e+08 assign (segid " " and resid 49 and name HE2) (segid " " and resid 49 and name HA) 3.718 1.728 1.728 weight 1.000 ! spec=3D Cnoesy, no=934, id=1558, vol=7.000000e+06 assign (segid " " and resid 49 and name HD1) (segid " " and resid 49 and name HE2) 2.387 0.712 0.712 weight 1.000 ! spec=3D Cnoesy, no=935, id=1559, vol=3.180000e+08 assign (segid " " and resid 49 and name HG2) (segid " " and resid 49 and name HE2) 2.990 1.117 1.117 weight 1.000 ! spec=3D Cnoesy, no=937, id=1561, vol=4.900000e+08 assign (segid " " and resid 49 and name HG2) (segid " " and resid 49 and name HG1) 2.224 0.618 0.618 weight 1.000 ! spec=3D Cnoesy, no=938, id=1562, vol=1.264000e+00 assign (segid " " and resid 49 and name HG1) (segid " " and resid 49 and name HE2) 3.018 1.139 1.139 weight 1.000 ! spec=3D Cnoesy, no=940, id=1564, vol=4.770000e+08 assign (segid " " and resid 35 and name HG2) (segid " " and resid 50 and name HA) 2.966 1.099 1.099 weight 1.000 ! spec=3D Cnoesy, no=942, id=1566, vol=1.411000e+00 assign (segid " " and resid 50 and name HA) (segid " " and resid 50 and name HB) 2.594 0.841 0.841 weight 1.000 ! spec=3D Cnoesy, no=943, id=1567, vol=1.587000e+00 assign (segid " " and resid 50 and name HA) (segid " " and resid 50 and name HD11) 2.931 1.131 3.069 weight 1.000 ! spec=3D Cnoesy, no=944, id=1568, vol=6.600000e-01 assign (segid " " and resid 8 and name HB2) (segid " " and resid 50 and name HD11) 2.905 1.055 1.055 weight 1.000 ! spec=3D Cnoesy, no=953, id=1577, vol=5.010000e+08 assign (segid " " and resid 50 and name HB) (segid " " and resid 50 and name HD11) 2.338 0.684 0.684 weight 1.000 ! spec=3D Cnoesy, no=955, id=1579, vol=1.582000e+00 assign (segid " " and resid 50 and name HD11) (segid " " and resid 50 and name HG12) 2.166 0.586 0.586 weight 1.000 ! spec=3D Cnoesy, no=956, id=1580, vol=1.361000e+00 assign (segid " " and resid 50 and name HD11) (segid " " and resid 50 and name HG11) 2.008 0.208 3.992 weight 1.000 ! spec=3D Cnoesy, no=957, id=1581, vol=8.990000e-01 assign (segid " " and resid 50 and name HD11) (segid " " and resid 52 and name HA) 2.791 0.974 0.974 weight 1.000 ! spec=3D Cnoesy, no=958, id=1582, vol=1.520000e+07 assign (segid " " and resid 50 and name HD11) (segid " " and resid 56 and name HA) 2.582 0.833 0.833 weight 1.000 ! spec=3D Cnoesy, no=961, id=1585, vol=2.500000e+07 assign (segid " " and resid 50 and name HD11) (segid " " and resid 57 and name HB2) 3.438 1.478 1.478 weight 1.000 ! spec=3D Cnoesy, no=963, id=1587, vol=1.824000e+00 assign (segid " " and resid 50 and name HG12) (segid " " and resid 50 and name HA) 3.499 1.531 1.531 weight 1.000 ! spec=3D Cnoesy, no=966, id=1590, vol=2.530000e+07 assign (segid " " and resid 50 and name HB) (segid " " and resid 50 and name HG12) 2.714 0.921 0.921 weight 1.000 ! spec=3D Cnoesy, no=967, id=1591, vol=1.578000e+00 assign (segid " " and resid 50 and name HG12) (segid " " and resid 50 and name HG11) 2.178 0.593 0.593 weight 1.000 ! spec=3D Cnoesy, no=969, id=1593, vol=8.990000e-01 assign (segid " " and resid 50 and name HG12) (segid " " and resid 52 and name HA) 3.856 1.859 1.859 weight 1.000 ! spec=3D Cnoesy, no=971, id=1595, vol=5.880000e+06 assign (segid " " and resid 50 and name HG11) (segid " " and resid 50 and name HA) 3.589 1.611 1.611 weight 1.000 ! spec=3D Cnoesy, no=974, id=1598, vol=2.970000e+07 assign (segid " " and resid 50 and name HB) (segid " " and resid 50 and name HG11) 2.852 1.017 1.017 weight 1.000 ! spec=3D Cnoesy, no=975, id=1599, vol=1.588000e+00 assign (segid " " and resid 34 and name HA) (segid " " and resid 50 and name HG21) 2.542 0.742 3.458 weight 1.000 ! spec=3D Cnoesy, no=978, id=1602, vol=2.460000e+07 assign (segid " " and resid 50 and name HG21) (segid " " and resid 48 and name HB) 2.904 1.104 3.096 weight 1.000 ! spec=3D Cnoesy, no=979, id=1603, vol=1.981000e+00 assign (segid " " and resid 50 and name HA) (segid " " and resid 50 and name HG21) 2.390 0.714 0.714 weight 1.000 ! spec=3D Cnoesy, no=980, id=1604, vol=3.900000e+07 assign (segid " " and resid 50 and name HB) (segid " " and resid 50 and name HG21) 2.214 0.613 0.613 weight 1.000 ! spec=3D Cnoesy, no=981, id=1605, vol=1.586000e+00 assign (segid " " and resid 50 and name HG12) (segid " " and resid 50 and name HG21) 2.541 0.741 3.459 weight 1.000 ! spec=3D Cnoesy, no=982, id=1606, vol=1.354000e+00 assign (segid " " and resid 50 and name HG21) (segid " " and resid 57 and name HA) 3.260 1.329 1.329 weight 1.000 ! spec=3D Cnoesy, no=983, id=1607, vol=5.600000e+06 assign (segid " " and resid 51 and name HB2) (segid " " and resid 50 and name HA) 3.864 1.866 1.866 weight 1.000 ! spec=3D Cnoesy, no=986, id=1610, vol=9.950000e+06 assign (segid " " and resid 51 and name HB2) (segid " " and resid 51 and name HA) 2.917 1.064 1.064 weight 1.000 ! spec=3D Cnoesy, no=987, id=1611, vol=3.760000e+08 assign (segid " " and resid 35 and name HD1) (segid " " and resid 51 and name HB1) 3.304 1.365 1.365 weight 1.000 ! spec=3D Cnoesy, no=994, id=1618, vol=5.050000e+07 assign (segid " " and resid 35 and name HG2) (segid " " and resid 51 and name HB1) 3.187 1.270 1.270 weight 1.000 ! spec=3D Cnoesy, no=995, id=1619, vol=5.900000e+07 assign (segid " " and resid 51 and name HB1) (segid " " and resid 50 and name HA) 3.855 1.858 1.858 weight 1.000 ! spec=3D Cnoesy, no=996, id=1620, vol=1.510000e+07 assign (segid " " and resid 51 and name HB1) (segid " " and resid 51 and name HA) 2.782 0.968 0.968 weight 1.000 ! spec=3D Cnoesy, no=997, id=1621, vol=2.980000e+07 assign (segid " " and resid 51 and name HB2) (segid " " and resid 51 and name HB1) 2.072 0.537 0.537 weight 1.000 ! spec=3D Cnoesy, no=998, id=1622, vol=2.913000e+00 assign (segid " " and resid 51 and name HB1) (segid " " and resid 54 and name HB) 3.386 1.586 2.614 weight 1.000 ! spec=3D Cnoesy, no=999, id=1623, vol=1.210000e+07 assign (segid " " and resid 51 and name HB1) (segid " " and resid 54 and name HG11) 2.989 1.116 1.116 weight 1.000 ! spec=3D Cnoesy, no=1000, id=1624, vol=2.040000e+07 assign (segid " " and resid 51 and name HB1) (segid " " and resid 55 and name HG21) 3.828 1.832 1.832 weight 1.000 ! spec=3D Cnoesy, no=1001, id=1625, vol=2.480000e+06 assign (segid " " and resid 50 and name HD11) (segid " " and resid 52 and name HB2) 3.412 1.455 1.455 weight 1.000 ! spec=3D Cnoesy, no=1004, id=1628, vol=6.530000e-01 assign (segid " " and resid 52 and name HB2) (segid " " and resid 52 and name HA) 2.488 0.774 0.774 weight 1.000 ! spec=3D Cnoesy, no=1005, id=1629, vol=4.511000e+00 assign (segid " " and resid 52 and name HA) (segid " " and resid 52 and name HB1) 2.523 0.796 0.796 weight 1.000 ! spec=3D Cnoesy, no=1007, id=1631, vol=4.516000e+00 assign (segid " " and resid 52 and name HB2) (segid " " and resid 52 and name HB1) 1.940 0.470 0.470 weight 1.000 ! spec=3D Cnoesy, no=1008, id=1632, vol=4.104000e+00 assign (segid " " and resid 53 and name HA) (segid " " and resid 53 and name HB2) 2.616 0.856 0.856 weight 1.000 ! spec=3D Cnoesy, no=1009, id=1633, vol=1.909000e+00 assign (segid " " and resid 53 and name HA) (segid " " and resid 53 and name HB1) 2.453 0.752 0.752 weight 1.000 ! spec=3D Cnoesy, no=1010, id=1634, vol=1.831000e+00 assign (segid " " and resid 53 and name HA) (segid " " and resid 53 and name HD2) 2.770 0.959 0.959 weight 1.000 ! spec=3D Cnoesy, no=1011, id=1635, vol=2.080000e+07 assign (segid " " and resid 53 and name HA) (segid " " and resid 53 and name HG1) 2.634 0.867 0.867 weight 1.000 ! spec=3D Cnoesy, no=1012, id=1636, vol=1.361000e+00 assign (segid " " and resid 53 and name HB2) (segid " " and resid 53 and name HB1) 1.879 0.441 0.441 weight 1.000 ! spec=3D Cnoesy, no=1014, id=1638, vol=1.840000e+00 assign (segid " " and resid 53 and name HB2) (segid " " and resid 53 and name HD2) 2.928 1.128 3.072 weight 1.000 ! spec=3D Cnoesy, no=1015, id=1639, vol=1.586000e+00 assign (segid " " and resid 53 and name HB2) (segid " " and resid 53 and name HG2) 2.807 0.985 0.985 weight 1.000 ! spec=3D Cnoesy, no=1016, id=1640, vol=1.428000e+00 assign (segid " " and resid 53 and name HB2) (segid " " and resid 54 and name HG11) 3.208 1.286 1.286 weight 1.000 ! spec=3D Cnoesy, no=1017, id=1641, vol=9.040000e-01 assign (segid " " and resid 53 and name HB1) (segid " " and resid 53 and name HD2) 2.940 1.080 1.080 weight 1.000 ! spec=3D Cnoesy, no=1020, id=1644, vol=1.591000e+00 assign (segid " " and resid 53 and name HB1) (segid " " and resid 54 and name HG11) 3.232 1.432 2.768 weight 1.000 ! spec=3D Cnoesy, no=1023, id=1647, vol=9.030000e-01 assign (segid " " and resid 53 and name HD2) (segid " " and resid 53 and name HG1) 2.077 0.539 0.539 weight 1.000 ! spec=3D Cnoesy, no=1026, id=1650, vol=1.361000e+00 assign (segid " " and resid 53 and name HE2) (segid " " and resid 53 and name HB2) 3.271 1.338 1.338 weight 1.000 ! spec=3D Cnoesy, no=1027, id=1651, vol=9.080000e+06 assign (segid " " and resid 53 and name HE2) (segid " " and resid 53 and name HB1) 3.303 1.364 1.364 weight 1.000 ! spec=3D Cnoesy, no=1028, id=1652, vol=1.030000e+07 assign (segid " " and resid 53 and name HD2) (segid " " and resid 53 and name HE2) 2.333 0.680 0.680 weight 1.000 ! spec=3D Cnoesy, no=1029, id=1653, vol=8.340000e+08 assign (segid " " and resid 53 and name HG2) (segid " " and resid 53 and name HA) 3.007 1.130 1.130 weight 1.000 ! spec=3D Cnoesy, no=1030, id=1654, vol=7.140000e+07 assign (segid " " and resid 53 and name HB1) (segid " " and resid 53 and name HG2) 2.811 0.987 0.987 weight 1.000 ! spec=3D Cnoesy, no=1032, id=1656, vol=1.825000e+00 assign (segid " " and resid 53 and name HG2) (segid " " and resid 53 and name HD2) 2.102 0.552 0.552 weight 1.000 ! spec=3D Cnoesy, no=1033, id=1657, vol=1.580000e+00 assign (segid " " and resid 53 and name HG1) (segid " " and resid 53 and name HB2) 2.793 0.975 0.975 weight 1.000 ! spec=3D Cnoesy, no=1035, id=1659, vol=1.914000e+00 assign (segid " " and resid 53 and name HB1) (segid " " and resid 53 and name HG1) 2.765 0.956 0.956 weight 1.000 ! spec=3D Cnoesy, no=1036, id=1660, vol=1.825000e+00 assign (segid " " and resid 53 and name HG1) (segid " " and resid 53 and name HE2) 3.366 1.416 1.416 weight 1.000 ! spec=3D Cnoesy, no=1038, id=1662, vol=4.680000e+08 assign (segid " " and resid 54 and name HA) (segid " " and resid 54 and name HB) 2.566 0.823 0.823 weight 1.000 ! spec=3D Cnoesy, no=1039, id=1663, vol=2.730000e+07 assign (segid " " and resid 54 and name HA) (segid " " and resid 54 and name HG11) 2.216 0.416 3.784 weight 1.000 ! spec=3D Cnoesy, no=1040, id=1664, vol=8.930000e-01 assign (segid " " and resid 51 and name HB2) (segid " " and resid 54 and name HB) 3.024 1.143 1.143 weight 1.000 ! spec=3D Cnoesy, no=1042, id=1666, vol=1.920000e+07 assign (segid " " and resid 54 and name HB) (segid " " and resid 54 and name HG11) 2.266 0.642 0.642 weight 1.000 ! spec=3D Cnoesy, no=1044, id=1668, vol=1.400000e+08 assign (segid " " and resid 51 and name HB2) (segid " " and resid 54 and name HG11) 2.699 0.910 0.910 weight 1.000 ! spec=3D Cnoesy, no=1045, id=1669, vol=1.800000e+07 assign (segid " " and resid 54 and name HG21) (segid " " and resid 54 and name HA) 2.348 0.689 0.689 weight 1.000 ! spec=3D Cnoesy, no=1048, id=1672, vol=1.940000e+08 assign (segid " " and resid 54 and name HG21) (segid " " and resid 54 and name HB) 2.154 0.580 0.580 weight 1.000 ! spec=3D Cnoesy, no=1049, id=1673, vol=2.067000e+00 assign (segid " " and resid 55 and name HA) (segid " " and resid 55 and name HB) 2.546 0.810 0.810 weight 1.000 ! spec=3D Cnoesy, no=1050, id=1674, vol=4.058000e+00 assign (segid " " and resid 55 and name HA) (segid " " and resid 55 and name HG21) 2.842 1.010 1.010 weight 1.000 ! spec=3D Cnoesy, no=1051, id=1675, vol=1.054000e+00 assign (segid " " and resid 55 and name HB) (segid " " and resid 54 and name HG11) 2.927 1.127 3.073 weight 1.000 ! spec=3D Cnoesy, no=1052, id=1676, vol=8.730000e-01 assign (segid " " and resid 33 and name HA2) (segid " " and resid 55 and name HG21) 2.561 0.820 0.820 weight 1.000 ! spec=3D Cnoesy, no=1054, id=1678, vol=2.560000e+07 assign (segid " " and resid 50 and name HB) (segid " " and resid 55 and name HG21) 2.477 0.767 0.767 weight 1.000 ! spec=3D Cnoesy, no=1056, id=1680, vol=1.587000e+00 assign (segid " " and resid 50 and name HD11) (segid " " and resid 55 and name HG21) 2.397 0.718 0.718 weight 1.000 ! spec=3D Cnoesy, no=1057, id=1681, vol=6.570000e-01 assign (segid " " and resid 51 and name HB2) (segid " " and resid 55 and name HG21) 3.558 1.582 1.582 weight 1.000 ! spec=3D Cnoesy, no=1058, id=1682, vol=4.090000e+06 assign (segid " " and resid 55 and name HB) (segid " " and resid 55 and name HG21) 2.315 0.670 0.670 weight 1.000 ! spec=3D Cnoesy, no=1061, id=1685, vol=4.490000e+07 assign (segid " " and resid 56 and name HB2) (segid " " and resid 50 and name HD11) 3.845 1.848 1.848 weight 1.000 ! spec=3D Cnoesy, no=1062, id=1686, vol=4.540000e+07 assign (segid " " and resid 56 and name HB2) (segid " " and resid 56 and name HA) 2.655 0.881 0.881 weight 1.000 ! spec=3D Cnoesy, no=1063, id=1687, vol=3.250000e+08 assign (segid " " and resid 56 and name HB2) (segid " " and resid 59 and name HB2) 3.880 1.882 1.882 weight 1.000 ! spec=3D Cnoesy, no=1065, id=1689, vol=1.550000e+08 assign (segid " " and resid 56 and name HB2) (segid " " and resid 59 and name HG2) 3.847 1.850 1.850 weight 1.000 ! spec=3D Cnoesy, no=1066, id=1690, vol=1.680000e+08 assign (segid " " and resid 56 and name HB1) (segid " " and resid 50 and name HD11) 3.884 1.885 1.885 weight 1.000 ! spec=3D Cnoesy, no=1067, id=1691, vol=3.900000e+07 assign (segid " " and resid 56 and name HB1) (segid " " and resid 56 and name HA) 2.644 0.874 0.874 weight 1.000 ! spec=3D Cnoesy, no=1068, id=1692, vol=2.990000e+08 assign (segid " " and resid 56 and name HB2) (segid " " and resid 56 and name HB1) 2.033 0.516 0.516 weight 1.000 ! spec=3D Cnoesy, no=1069, id=1693, vol=2.971000e+00 assign (segid " " and resid 56 and name HB1) (segid " " and resid 59 and name HB2) 3.893 1.894 1.894 weight 1.000 ! spec=3D Cnoesy, no=1070, id=1694, vol=1.770000e+08 assign (segid " " and resid 56 and name HB1) (segid " " and resid 59 and name HG2) 3.866 1.869 1.869 weight 1.000 ! spec=3D Cnoesy, no=1071, id=1695, vol=1.670000e+08 assign (segid " " and resid 10 and name HD11) (segid " " and resid 57 and name HA) 2.407 0.724 0.724 weight 1.000 ! spec=3D Cnoesy, no=1072, id=1696, vol=2.010000e+08 assign (segid " " and resid 50 and name HD11) (segid " " and resid 57 and name HA) 2.765 0.956 0.956 weight 1.000 ! spec=3D Cnoesy, no=1073, id=1697, vol=9.180000e+08 assign (segid " " and resid 57 and name HA) (segid " " and resid 57 and name HB2) 2.480 0.769 0.769 weight 1.000 ! spec=3D Cnoesy, no=1074, id=1698, vol=1.818000e+00 assign (segid " " and resid 57 and name HA) (segid " " and resid 57 and name HB1) 2.602 0.846 0.846 weight 1.000 ! spec=3D Cnoesy, no=1075, id=1699, vol=1.680000e+00 assign (segid " " and resid 57 and name HA) (segid " " and resid 57 and name HG2) 2.931 1.074 1.074 weight 1.000 ! spec=3D Cnoesy, no=1076, id=1700, vol=1.445000e+00 assign (segid " " and resid 57 and name HA) (segid " " and resid 57 and name HG1) 2.785 0.969 0.969 weight 1.000 ! spec=3D Cnoesy, no=1077, id=1701, vol=1.331000e+00 assign (segid " " and resid 57 and name HA) (segid " " and resid 60 and name HB) 2.636 0.836 3.364 weight 1.000 ! spec=3D Cnoesy, no=1078, id=1702, vol=1.986000e+00 assign (segid " " and resid 57 and name HA) (segid " " and resid 60 and name HG11) 2.916 1.063 1.063 weight 1.000 ! spec=3D Cnoesy, no=1079, id=1703, vol=1.220000e+07 assign (segid " " and resid 10 and name HD11) (segid " " and resid 57 and name HB2) 2.942 1.082 1.082 weight 1.000 ! spec=3D Cnoesy, no=1080, id=1704, vol=7.840000e-01 assign (segid " " and resid 57 and name HB2) (segid " " and resid 56 and name HA) 3.790 1.795 1.795 weight 1.000 ! spec=3D Cnoesy, no=1081, id=1705, vol=1.500000e+07 assign (segid " " and resid 57 and name HB2) (segid " " and resid 57 and name HB1) 2.095 0.548 0.548 weight 1.000 ! spec=3D Cnoesy, no=1083, id=1707, vol=1.685000e+00 assign (segid " " and resid 57 and name HB2) (segid " " and resid 57 and name HD2) 2.948 1.086 1.086 weight 1.000 ! spec=3D Cnoesy, no=1084, id=1708, vol=7.090000e+08 assign (segid " " and resid 57 and name HB2) (segid " " and resid 57 and name HG2) 2.790 0.973 0.973 weight 1.000 ! spec=3D Cnoesy, no=1085, id=1709, vol=1.447000e+00 assign (segid " " and resid 57 and name HB2) (segid " " and resid 57 and name HG1) 2.812 0.988 0.988 weight 1.000 ! spec=3D Cnoesy, no=1086, id=1710, vol=1.334000e+00 assign (segid " " and resid 10 and name HD11) (segid " " and resid 57 and name HB1) 3.021 1.221 2.979 weight 1.000 ! spec=3D Cnoesy, no=1087, id=1711, vol=7.830000e-01 assign (segid " " and resid 57 and name HB1) (segid " " and resid 56 and name HA) 3.789 1.794 1.794 weight 1.000 ! spec=3D Cnoesy, no=1088, id=1712, vol=2.890000e+08 assign (segid " " and resid 57 and name HB1) (segid " " and resid 57 and name HD2) 2.904 1.054 1.054 weight 1.000 ! spec=3D Cnoesy, no=1091, id=1715, vol=7.270000e+08 assign (segid " " and resid 57 and name HB1) (segid " " and resid 57 and name HG2) 2.649 0.877 0.877 weight 1.000 ! spec=3D Cnoesy, no=1092, id=1716, vol=1.437000e+00 assign (segid " " and resid 57 and name HB1) (segid " " and resid 57 and name HG1) 2.758 0.951 0.951 weight 1.000 ! spec=3D Cnoesy, no=1093, id=1717, vol=1.330000e+00 assign (segid " " and resid 10 and name HD21) (segid " " and resid 57 and name HD2) 2.913 1.061 1.061 weight 1.000 ! spec=3D Cnoesy, no=1094, id=1718, vol=4.090000e+08 assign (segid " " and resid 57 and name HD2) (segid " " and resid 57 and name HA) 3.429 1.629 2.571 weight 1.000 ! spec=3D Cnoesy, no=1095, id=1719, vol=3.677000e+00 assign (segid " " and resid 57 and name HD2) (segid " " and resid 57 and name HG2) 2.399 0.719 0.719 weight 1.000 ! spec=3D Cnoesy, no=1096, id=1720, vol=5.640000e+08 assign (segid " " and resid 57 and name HD2) (segid " " and resid 57 and name HG1) 2.557 0.817 0.817 weight 1.000 ! spec=3D Cnoesy, no=1097, id=1721, vol=3.490000e+08 assign (segid " " and resid 57 and name HG2) (segid " " and resid 57 and name HG1) 1.927 0.464 0.464 weight 1.000 ! spec=3D Cnoesy, no=1100, id=1724, vol=1.341000e+00 assign (segid " " and resid 57 and name HG2) (segid " " and resid 61 and name HG1) 3.559 1.584 1.584 weight 1.000 ! spec=3D Cnoesy, no=1102, id=1726, vol=2.121000e+00 assign (segid " " and resid 58 and name HA) (segid " " and resid 58 and name HB2) 2.251 0.633 0.633 weight 1.000 ! spec=3D Cnoesy, no=1106, id=1730, vol=3.181000e+00 assign (segid " " and resid 58 and name HA) (segid " " and resid 58 and name HD1) 2.723 0.927 0.927 weight 1.000 ! spec=3D Cnoesy, no=1107, id=1731, vol=7.270000e+00 assign (segid " " and resid 58 and name HA) (segid " " and resid 61 and name HB2) 2.640 0.871 0.871 weight 1.000 ! spec=3D Cnoesy, no=1108, id=1732, vol=7.130000e+07 assign (segid " " and resid 58 and name HA) (segid " " and resid 61 and name HG2) 3.219 1.295 1.295 weight 1.000 ! spec=3D Cnoesy, no=1109, id=1733, vol=2.402000e+00 assign (segid " " and resid 58 and name HB2) (segid " " and resid 58 and name HD1) 2.647 0.847 3.353 weight 1.000 ! spec=3D Cnoesy, no=1111, id=1735, vol=5.900000e+07 assign (segid " " and resid 59 and name HA) (segid " " and resid 58 and name HA) 3.807 1.811 1.811 weight 1.000 ! spec=3D Cnoesy, no=1112, id=1736, vol=4.352000e+00 assign (segid " " and resid 59 and name HA) (segid " " and resid 59 and name HB2) 2.366 0.700 0.700 weight 1.000 ! spec=3D Cnoesy, no=1113, id=1737, vol=2.064000e+00 assign (segid " " and resid 59 and name HA) (segid " " and resid 59 and name HB1) 2.405 0.723 0.723 weight 1.000 ! spec=3D Cnoesy, no=1114, id=1738, vol=2.009000e+00 assign (segid " " and resid 59 and name HA) (segid " " and resid 59 and name HG1) 2.666 0.889 0.889 weight 1.000 ! spec=3D Cnoesy, no=1115, id=1739, vol=2.415000e+00 assign (segid " " and resid 59 and name HB1) (segid " " and resid 56 and name HB2) 3.864 1.866 1.866 weight 1.000 ! spec=3D Cnoesy, no=1117, id=1741, vol=1.110000e+08 assign (segid " " and resid 59 and name HG2) (segid " " and resid 59 and name HA) 2.822 0.996 0.996 weight 1.000 ! spec=3D Cnoesy, no=1119, id=1743, vol=3.870000e+08 assign (segid " " and resid 59 and name HG2) (segid " " and resid 59 and name HB2) 2.383 0.710 0.710 weight 1.000 ! spec=3D Cnoesy, no=1120, id=1744, vol=2.081000e+00 assign (segid " " and resid 50 and name HD11) (segid " " and resid 60 and name HB) 2.929 1.129 3.071 weight 1.000 ! spec=3D Cnoesy, no=1127, id=1751, vol=2.060000e+07 assign (segid " " and resid 60 and name HA) (segid " " and resid 60 and name HB) 2.567 0.823 0.823 weight 1.000 ! spec=3D Cnoesy, no=1128, id=1752, vol=4.520000e+07 assign (segid " " and resid 60 and name HA) (segid " " and resid 60 and name HG11) 2.120 0.320 3.880 weight 1.000 ! spec=3D Cnoesy, no=1131, id=1755, vol=5.770000e+07 assign (segid " " and resid 60 and name HB) (segid " " and resid 60 and name HG11) 2.177 0.593 0.593 weight 1.000 ! spec=3D Cnoesy, no=1132, id=1756, vol=1.987000e+00 assign (segid " " and resid 60 and name HA) (segid " " and resid 60 and name HG21) 2.251 0.634 0.634 weight 1.000 ! spec=3D Cnoesy, no=1133, id=1757, vol=4.480000e+07 assign (segid " " and resid 60 and name HB) (segid " " and resid 60 and name HG21) 2.202 0.402 3.798 weight 1.000 ! spec=3D Cnoesy, no=1134, id=1758, vol=1.982000e+00 assign (segid " " and resid 61 and name HA) (segid " " and resid 58 and name HA) 3.746 1.754 1.754 weight 1.000 ! spec=3D Cnoesy, no=1136, id=1760, vol=4.321000e+00 assign (segid " " and resid 61 and name HA) (segid " " and resid 61 and name HB2) 2.294 0.658 0.658 weight 1.000 ! spec=3D Cnoesy, no=1137, id=1761, vol=2.115000e+00 assign (segid " " and resid 61 and name HA) (segid " " and resid 61 and name HG2) 2.770 0.959 0.959 weight 1.000 ! spec=3D Cnoesy, no=1138, id=1762, vol=2.150000e+07 assign (segid " " and resid 61 and name HA) (segid " " and resid 64 and name HB) 2.259 0.638 0.638 weight 1.000 ! spec=3D Cnoesy, no=1139, id=1763, vol=1.984000e+00 assign (segid " " and resid 61 and name HA) (segid " " and resid 64 and name HD11) 2.496 0.779 0.779 weight 1.000 ! spec=3D Cnoesy, no=1140, id=1764, vol=2.910000e+08 assign (segid " " and resid 61 and name HA) (segid " " and resid 64 and name HG12) 3.249 1.320 1.320 weight 1.000 ! spec=3D Cnoesy, no=1141, id=1765, vol=9.260000e-01 assign (segid " " and resid 61 and name HA) (segid " " and resid 64 and name HG21) 2.682 0.882 3.318 weight 1.000 ! spec=3D Cnoesy, no=1142, id=1766, vol=8.430000e+08 assign (segid " " and resid 10 and name HD11) (segid " " and resid 61 and name HB2) 3.169 1.256 1.256 weight 1.000 ! spec=3D Cnoesy, no=1143, id=1767, vol=7.760000e-01 assign (segid " " and resid 61 and name HB1) (segid " " and resid 10 and name HD21) 3.314 1.514 2.686 weight 1.000 ! spec=3D Cnoesy, no=1146, id=1770, vol=7.820000e-01 assign (segid " " and resid 61 and name HB1) (segid " " and resid 12 and name HD11) 3.500 1.532 1.532 weight 1.000 ! spec=3D Cnoesy, no=1147, id=1771, vol=6.920000e-01 assign (segid " " and resid 61 and name HB1) (segid " " and resid 61 and name HA) 2.671 0.892 0.892 weight 1.000 ! spec=3D Cnoesy, no=1148, id=1772, vol=3.110000e+07 assign (segid " " and resid 10 and name HD11) (segid " " and resid 61 and name HG2) 2.967 1.100 1.100 weight 1.000 ! spec=3D Cnoesy, no=1149, id=1773, vol=5.680000e+07 assign (segid " " and resid 61 and name HG2) (segid " " and resid 57 and name HD2) 3.836 1.839 1.839 weight 1.000 ! spec=3D Cnoesy, no=1151, id=1775, vol=6.860000e+06 assign (segid " " and resid 57 and name HG2) (segid " " and resid 61 and name HG2) 3.409 1.453 1.453 weight 1.000 ! spec=3D Cnoesy, no=1152, id=1776, vol=3.370000e+07 assign (segid " " and resid 57 and name HG1) (segid " " and resid 61 and name HG2) 3.486 1.519 1.519 weight 1.000 ! spec=3D Cnoesy, no=1153, id=1777, vol=3.630000e+07 assign (segid " " and resid 61 and name HG2) (segid " " and resid 61 and name HB1) 2.492 0.776 0.776 weight 1.000 ! spec=3D Cnoesy, no=1156, id=1780, vol=2.000000e+00 assign (segid " " and resid 61 and name HG2) (segid " " and resid 61 and name HG1) 1.977 0.488 0.488 weight 1.000 ! spec=3D Cnoesy, no=1157, id=1781, vol=2.110000e+00 assign (segid " " and resid 61 and name HG1) (segid " " and resid 57 and name HD2) 3.766 1.772 1.772 weight 1.000 ! spec=3D Cnoesy, no=1160, id=1784, vol=2.260000e+07 assign (segid " " and resid 61 and name HG1) (segid " " and resid 57 and name HG1) 3.829 1.832 1.832 weight 1.000 ! spec=3D Cnoesy, no=1162, id=1786, vol=2.410000e+07 assign (segid " " and resid 61 and name HG1) (segid " " and resid 58 and name HA) 3.380 1.428 1.428 weight 1.000 ! spec=3D Cnoesy, no=1163, id=1787, vol=7.360000e+06 assign (segid " " and resid 61 and name HG1) (segid " " and resid 61 and name HA) 2.758 0.951 0.951 weight 1.000 ! spec=3D Cnoesy, no=1164, id=1788, vol=2.750000e+07 assign (segid " " and resid 61 and name HG1) (segid " " and resid 61 and name HB1) 2.273 0.646 0.646 weight 1.000 ! spec=3D Cnoesy, no=1165, id=1789, vol=2.010000e+00 assign (segid " " and resid 62 and name HA) (segid " " and resid 62 and name HB2) 2.204 0.404 3.796 weight 1.000 ! spec=3D Cnoesy, no=1167, id=1791, vol=1.967000e+00 assign (segid " " and resid 62 and name HA) (segid " " and resid 62 and name HG2) 2.519 0.793 0.793 weight 1.000 ! spec=3D Cnoesy, no=1168, id=1792, vol=2.094000e+00 assign (segid " " and resid 62 and name HA) (segid " " and resid 65 and name HD2) 3.442 1.481 1.481 weight 1.000 ! spec=3D Cnoesy, no=1169, id=1793, vol=3.173000e+00 assign (segid " " and resid 62 and name HA) (segid " " and resid 65 and name HG1) 3.575 1.598 1.598 weight 1.000 ! spec=3D Cnoesy, no=1170, id=1794, vol=1.573000e+00 assign (segid " " and resid 62 and name HB2) (segid " " and resid 62 and name HG2) 1.942 0.472 0.472 weight 1.000 ! spec=3D Cnoesy, no=1172, id=1796, vol=2.090000e+00 assign (segid " " and resid 63 and name HA) (segid " " and resid 66 and name HB2) 2.545 0.810 0.810 weight 1.000 ! spec=3D Cnoesy, no=1175, id=1799, vol=2.104000e+00 assign (segid " " and resid 63 and name HA) (segid " " and resid 66 and name HG2) 3.354 1.406 1.406 weight 1.000 ! spec=3D Cnoesy, no=1176, id=1800, vol=3.120000e+07 assign (segid " " and resid 63 and name HA) (segid " " and resid 66 and name HG1) 3.369 1.419 1.419 weight 1.000 ! spec=3D Cnoesy, no=1177, id=1801, vol=3.350000e+07 assign (segid " " and resid 60 and name HA) (segid " " and resid 63 and name HB1) 2.363 0.698 0.698 weight 1.000 ! spec=3D Cnoesy, no=1179, id=1803, vol=4.000000e+07 assign (segid " " and resid 60 and name HG21) (segid " " and resid 63 and name HB1) 2.737 0.936 0.936 weight 1.000 ! spec=3D Cnoesy, no=1180, id=1804, vol=8.110000e-01 assign (segid " " and resid 63 and name HA) (segid " " and resid 63 and name HB1) 2.035 0.235 3.965 weight 1.000 ! spec=3D Cnoesy, no=1181, id=1805, vol=9.690000e+07 assign (segid " " and resid 63 and name HB1) (segid " " and resid 64 and name HA) 3.169 1.255 1.255 weight 1.000 ! spec=3D Cnoesy, no=1182, id=1806, vol=5.900000e+06 assign (segid " " and resid 28 and name HB1) (segid " " and resid 64 and name HA) 3.304 1.365 1.365 weight 1.000 ! spec=3D Cnoesy, no=1183, id=1807, vol=7.700000e+06 assign (segid " " and resid 28 and name HD21) (segid " " and resid 64 and name HA) 2.478 0.768 0.768 weight 1.000 ! spec=3D Cnoesy, no=1184, id=1808, vol=1.300000e+08 assign (segid " " and resid 64 and name HA) (segid " " and resid 64 and name HB) 2.618 0.857 0.857 weight 1.000 ! spec=3D Cnoesy, no=1186, id=1810, vol=6.870000e+07 assign (segid " " and resid 64 and name HA) (segid " " and resid 64 and name HG12) 2.441 0.745 0.745 weight 1.000 ! spec=3D Cnoesy, no=1187, id=1811, vol=1.600000e+08 assign (segid " " and resid 64 and name HA) (segid " " and resid 64 and name HG11) 2.568 0.824 0.824 weight 1.000 ! spec=3D Cnoesy, no=1188, id=1812, vol=6.220000e+07 assign (segid " " and resid 64 and name HA) (segid " " and resid 64 and name HG21) 2.261 0.461 3.739 weight 1.000 ! spec=3D Cnoesy, no=1189, id=1813, vol=1.490000e+08 assign (segid " " and resid 64 and name HA) (segid " " and resid 67 and name HB1) 2.525 0.797 0.797 weight 1.000 ! spec=3D Cnoesy, no=1190, id=1814, vol=3.310000e+07 assign (segid " " and resid 64 and name HB) (segid " " and resid 64 and name HD11) 2.513 0.790 0.790 weight 1.000 ! spec=3D Cnoesy, no=1193, id=1817, vol=2.400000e+08 assign (segid " " and resid 64 and name HB) (segid " " and resid 64 and name HG12) 2.869 1.029 1.029 weight 1.000 ! spec=3D Cnoesy, no=1194, id=1818, vol=1.980000e+07 assign (segid " " and resid 64 and name HB) (segid " " and resid 64 and name HG21) 2.380 0.708 0.708 weight 1.000 ! spec=3D Cnoesy, no=1195, id=1819, vol=1.730000e+08 assign (segid " " and resid 64 and name HB) (segid " " and resid 65 and name HA) 3.771 1.778 1.778 weight 1.000 ! spec=3D Cnoesy, no=1196, id=1820, vol=4.930000e+06 assign (segid " " and resid 64 and name HD11) (segid " " and resid 12 and name HG11) 2.691 0.891 3.309 weight 1.000 ! spec=3D Cnoesy, no=1197, id=1821, vol=1.154000e+00 assign (segid " " and resid 64 and name HD11) (segid " " and resid 64 and name HA) 2.680 0.898 0.898 weight 1.000 ! spec=3D Cnoesy, no=1199, id=1823, vol=1.540000e+07 assign (segid " " and resid 64 and name HD11) (segid " " and resid 64 and name HG12) 1.894 0.094 4.106 weight 1.000 ! spec=3D Cnoesy, no=1200, id=1824, vol=9.210000e-01 assign (segid " " and resid 64 and name HD11) (segid " " and resid 64 and name HG11) 2.096 0.549 0.549 weight 1.000 ! spec=3D Cnoesy, no=1201, id=1825, vol=1.878000e+00 assign (segid " " and resid 64 and name HG12) (segid " " and resid 28 and name HD11) 3.274 1.340 1.340 weight 1.000 ! spec=3D Cnoesy, no=1202, id=1826, vol=5.720000e-01 assign (segid " " and resid 64 and name HG11) (segid " " and resid 61 and name HA) 3.307 1.367 1.367 weight 1.000 ! spec=3D Cnoesy, no=1208, id=1832, vol=1.110000e+07 assign (segid " " and resid 64 and name HG12) (segid " " and resid 64 and name HG11) 2.143 0.574 0.574 weight 1.000 ! spec=3D Cnoesy, no=1211, id=1835, vol=9.260000e-01 assign (segid " " and resid 64 and name HG11) (segid " " and resid 64 and name HG21) 2.423 0.623 3.577 weight 1.000 ! spec=3D Cnoesy, no=1212, id=1836, vol=8.090000e-01 assign (segid " " and resid 65 and name HA) (segid " " and resid 65 and name HB2) 2.319 0.672 0.672 weight 1.000 ! spec=3D Cnoesy, no=1214, id=1838, vol=1.886000e+00 assign (segid " " and resid 65 and name HA) (segid " " and resid 65 and name HG1) 2.700 0.911 0.911 weight 1.000 ! spec=3D Cnoesy, no=1215, id=1839, vol=1.587000e+00 assign (segid " " and resid 65 and name HA) (segid " " and resid 68 and name HB1) 3.214 1.291 1.291 weight 1.000 ! spec=3D Cnoesy, no=1216, id=1840, vol=1.452000e+00 assign (segid " " and resid 65 and name HA) (segid " " and resid 68 and name HD11) 2.646 0.875 0.875 weight 1.000 ! spec=3D Cnoesy, no=1217, id=1841, vol=5.900000e+07 assign (segid " " and resid 65 and name HD2) (segid " " and resid 62 and name HG2) 3.106 1.206 1.206 weight 1.000 ! spec=3D Cnoesy, no=1220, id=1844, vol=2.020000e+07 assign (segid " " and resid 65 and name HB2) (segid " " and resid 65 and name HD2) 2.414 0.729 0.729 weight 1.000 ! spec=3D Cnoesy, no=1221, id=1845, vol=3.630000e+08 assign (segid " " and resid 65 and name HD2) (segid " " and resid 66 and name HA) 2.501 0.782 0.782 weight 1.000 ! spec=3D Cnoesy, no=1222, id=1846, vol=4.101000e+00 assign (segid " " and resid 65 and name HG2) (segid " " and resid 65 and name HA) 3.030 1.147 1.147 weight 1.000 ! spec=3D Cnoesy, no=1223, id=1847, vol=1.840000e+07 assign (segid " " and resid 65 and name HG2) (segid " " and resid 65 and name HD2) 2.898 1.050 1.050 weight 1.000 ! spec=3D Cnoesy, no=1224, id=1848, vol=2.940000e+07 assign (segid " " and resid 65 and name HG1) (segid " " and resid 65 and name HD2) 2.803 0.982 0.982 weight 1.000 ! spec=3D Cnoesy, no=1227, id=1851, vol=2.840000e+07 assign (segid " " and resid 65 and name HG2) (segid " " and resid 65 and name HG1) 2.154 0.580 0.580 weight 1.000 ! spec=3D Cnoesy, no=1228, id=1852, vol=1.799000e+00 assign (segid " " and resid 66 and name HA) (segid " " and resid 66 and name HB2) 2.239 0.439 3.761 weight 1.000 ! spec=3D Cnoesy, no=1229, id=1853, vol=2.106000e+00 assign (segid " " and resid 66 and name HA) (segid " " and resid 66 and name HG1) 2.645 0.875 0.875 weight 1.000 ! spec=3D Cnoesy, no=1231, id=1855, vol=2.360000e+00 assign (segid " " and resid 66 and name HB2) (segid " " and resid 67 and name HB1) 3.419 1.461 1.461 weight 1.000 ! spec=3D Cnoesy, no=1232, id=1856, vol=1.416000e+00 assign (segid " " and resid 66 and name HG2) (segid " " and resid 65 and name HB2) 3.531 1.558 1.558 weight 1.000 ! spec=3D Cnoesy, no=1233, id=1857, vol=1.885000e+00 assign (segid " " and resid 66 and name HA) (segid " " and resid 66 and name HG2) 2.741 0.939 0.939 weight 1.000 ! spec=3D Cnoesy, no=1234, id=1858, vol=2.200000e+07 assign (segid " " and resid 66 and name HG2) (segid " " and resid 66 and name HB2) 2.100 0.551 0.551 weight 1.000 ! spec=3D Cnoesy, no=1235, id=1859, vol=2.107000e+00 assign (segid " " and resid 66 and name HG2) (segid " " and resid 69 and name HB2) 3.233 1.307 1.307 weight 1.000 ! spec=3D Cnoesy, no=1237, id=1861, vol=1.980000e+00 assign (segid " " and resid 66 and name HG1) (segid " " and resid 65 and name HB2) 3.600 1.620 1.620 weight 1.000 ! spec=3D Cnoesy, no=1238, id=1862, vol=1.871000e+00 assign (segid " " and resid 66 and name HG1) (segid " " and resid 66 and name HB2) 2.182 0.382 3.818 weight 1.000 ! spec=3D Cnoesy, no=1240, id=1864, vol=2.108000e+00 assign (segid " " and resid 66 and name HG2) (segid " " and resid 66 and name HG1) 1.605 0.322 0.322 weight 1.000 ! spec=3D Cnoesy, no=1241, id=1865, vol=2.474000e+00 assign (segid " " and resid 66 and name HG1) (segid " " and resid 69 and name HB2) 3.374 1.423 1.423 weight 1.000 ! spec=3D Cnoesy, no=1242, id=1866, vol=1.969000e+00 assign (segid " " and resid 67 and name HB1) (segid " " and resid 28 and name HD21) 2.545 0.810 0.810 weight 1.000 ! spec=3D Cnoesy, no=1245, id=1869, vol=7.010000e-01 assign (segid " " and resid 67 and name HA) (segid " " and resid 67 and name HB1) 2.079 0.279 3.921 weight 1.000 ! spec=3D Cnoesy, no=1247, id=1871, vol=1.030000e+08 assign (segid " " and resid 68 and name HA) (segid " " and resid 68 and name HB2) 2.532 0.802 0.802 weight 1.000 ! spec=3D Cnoesy, no=1248, id=1872, vol=1.794000e+00 assign (segid " " and resid 68 and name HA) (segid " " and resid 68 and name HB1) 2.527 0.798 0.798 weight 1.000 ! spec=3D Cnoesy, no=1249, id=1873, vol=1.451000e+00 assign (segid " " and resid 68 and name HB2) (segid " " and resid 68 and name HB1) 2.008 0.504 0.504 weight 1.000 ! spec=3D Cnoesy, no=1256, id=1880, vol=1.799000e+00 assign (segid " " and resid 68 and name HB1) (segid " " and resid 68 and name HD11) 2.511 0.788 0.788 weight 1.000 ! spec=3D Cnoesy, no=1257, id=1881, vol=8.610000e+08 assign (segid " " and resid 68 and name HD11) (segid " " and resid 14 and name HA) 3.375 1.424 1.424 weight 1.000 ! spec=3D Cnoesy, no=1258, id=1882, vol=3.970000e+08 assign (segid " " and resid 68 and name HD11) (segid " " and resid 15 and name HD1) 3.307 1.367 1.367 weight 1.000 ! spec=3D Cnoesy, no=1259, id=1883, vol=5.320000e+06 assign (segid " " and resid 68 and name HD11) (segid " " and resid 68 and name HA) 3.261 1.329 1.329 weight 1.000 ! spec=3D Cnoesy, no=1261, id=1885, vol=5.920000e+06 assign (segid " " and resid 68 and name HB2) (segid " " and resid 68 and name HD11) 2.379 0.707 0.707 weight 1.000 ! spec=3D Cnoesy, no=1262, id=1886, vol=1.791000e+00 assign (segid " " and resid 68 and name HA) (segid " " and resid 68 and name HD21) 2.161 0.584 0.584 weight 1.000 ! spec=3D Cnoesy, no=1265, id=1889, vol=1.330000e+08 assign (segid " " and resid 68 and name HD21) (segid " " and resid 68 and name HG) 2.141 0.573 0.573 weight 1.000 ! spec=3D Cnoesy, no=1266, id=1890, vol=1.767000e+00 assign (segid " " and resid 68 and name HG) (segid " " and resid 68 and name HA) 3.339 1.393 1.393 weight 1.000 ! spec=3D Cnoesy, no=1267, id=1891, vol=1.070000e+07 assign (segid " " and resid 68 and name HG) (segid " " and resid 68 and name HB1) 2.746 0.943 0.943 weight 1.000 ! spec=3D Cnoesy, no=1268, id=1892, vol=1.455000e+00 assign (segid " " and resid 69 and name HA) (segid " " and resid 69 and name HB2) 2.214 0.414 3.786 weight 1.000 ! spec=3D Cnoesy, no=1270, id=1894, vol=1.968000e+00 assign (segid " " and resid 69 and name HA) (segid " " and resid 69 and name HG2) 2.639 0.871 0.871 weight 1.000 ! spec=3D Cnoesy, no=1271, id=1895, vol=2.189000e+00 assign (segid " " and resid 69 and name HA) (segid " " and resid 69 and name HG1) 2.998 1.123 1.123 weight 1.000 ! spec=3D Cnoesy, no=1272, id=1896, vol=2.314000e+00 assign (segid " " and resid 69 and name HB2) (segid " " and resid 69 and name HG2) 1.967 0.483 0.483 weight 1.000 ! spec=3D Cnoesy, no=1276, id=1900, vol=1.971000e+00 assign (segid " " and resid 69 and name HG1) (segid " " and resid 69 and name HB2) 1.988 0.494 0.494 weight 1.000 ! spec=3D Cnoesy, no=1277, id=1901, vol=1.973000e+00 assign (segid " " and resid 6 and name HN) (segid " " and resid 5 and name HA) 2.643 0.873 0.873 weight 1.000 ! spec=3D Nnoesy, no=3, id=0, vol=8.700000e+07 assign (segid " " and resid 6 and name HN) (segid " " and resid 5 and name HB2) 3.764 1.771 1.771 weight 1.000 ! spec=3D Nnoesy, no=4, id=1, vol=1.780000e+07 assign (segid " " and resid 6 and name HN) (segid " " and resid 5 and name HB1) 3.727 1.737 1.737 weight 1.000 ! spec=3D Nnoesy, no=5, id=2, vol=7.040000e+07 assign (segid " " and resid 6 and name HN) (segid " " and resid 5 and name HD2) 4.210 2.215 2.215 weight 1.000 ! spec=3D Nnoesy, no=6, id=3, vol=1.170000e+08 assign (segid " " and resid 6 and name HN) (segid " " and resid 5 and name HD1) 3.871 1.874 1.874 weight 1.000 ! spec=3D Nnoesy, no=7, id=4, vol=1.260000e+07 assign (segid " " and resid 6 and name HN) (segid " " and resid 5 and name HG1) 3.660 1.675 1.675 weight 1.000 ! spec=3D Nnoesy, no=8, id=5, vol=4.060000e+07 assign (segid " " and resid 6 and name HN) (segid " " and resid 6 and name HA) 2.930 1.073 1.073 weight 1.000 ! spec=3D Nnoesy, no=9, id=6, vol=5.660000e+07 assign (segid " " and resid 6 and name HN) (segid " " and resid 6 and name HB2) 2.860 1.022 1.022 weight 1.000 ! spec=3D Nnoesy, no=10, id=7, vol=7.380000e+07 assign (segid " " and resid 6 and name HN) (segid " " and resid 6 and name HD2) 3.441 1.480 1.480 weight 1.000 ! spec=3D Nnoesy, no=11, id=8, vol=2.420000e+07 assign (segid " " and resid 7 and name HN) (segid " " and resid 6 and name HB2) 3.343 1.397 1.397 weight 1.000 ! spec=3D Nnoesy, no=12, id=9, vol=3.070000e+07 assign (segid " " and resid 7 and name HN) (segid " " and resid 6 and name HD2) 3.929 1.930 1.930 weight 1.000 ! spec=3D Nnoesy, no=13, id=10, vol=2.340000e+07 assign (segid " " and resid 7 and name HN) (segid " " and resid 7 and name HA) 2.420 0.732 0.732 weight 1.000 ! spec=3D Nnoesy, no=14, id=11, vol=1.610000e+08 assign (segid " " and resid 7 and name HN) (segid " " and resid 7 and name HB) 2.641 0.872 0.872 weight 1.000 ! spec=3D Nnoesy, no=15, id=12, vol=1.020000e+08 assign (segid " " and resid 7 and name HN) (segid " " and resid 7 and name HG11) 2.699 0.911 0.911 weight 1.000 ! spec=3D Nnoesy, no=16, id=13, vol=8.700000e+07 assign (segid " " and resid 8 and name HN) (segid " " and resid 7 and name HA) 2.692 0.906 0.906 weight 1.000 ! spec=3D Nnoesy, no=18, id=15, vol=1.040000e+08 assign (segid " " and resid 8 and name HN) (segid " " and resid 7 and name HB) 3.554 1.579 1.579 weight 1.000 ! spec=3D Nnoesy, no=19, id=16, vol=2.490000e+07 assign (segid " " and resid 8 and name HN) (segid " " and resid 7 and name HG11) 3.230 1.304 1.304 weight 1.000 ! spec=3D Nnoesy, no=20, id=17, vol=3.730000e+07 assign (segid " " and resid 7 and name HN) (segid " " and resid 8 and name HN) 3.712 1.723 1.723 weight 1.000 ! spec=3D Nnoesy, no=21, id=18, vol=7.744000e+00 assign (segid " " and resid 8 and name HN) (segid " " and resid 8 and name HB2) 3.291 1.354 1.354 weight 1.000 ! spec=3D Nnoesy, no=22, id=19, vol=4.450000e+07 assign (segid " " and resid 8 and name HN) (segid " " and resid 50 and name HG12) 3.923 1.924 1.924 weight 1.000 ! spec=3D Nnoesy, no=23, id=20, vol=3.470000e+07 assign (segid " " and resid 9 and name HN) (segid " " and resid 8 and name HA) 2.906 1.056 1.056 weight 1.000 ! spec=3D Nnoesy, no=24, id=21, vol=1.040000e+08 assign (segid " " and resid 9 and name HN) (segid " " and resid 8 and name HB2) 3.498 1.529 1.529 weight 1.000 ! spec=3D Nnoesy, no=25, id=22, vol=1.920000e+08 assign (segid " " and resid 9 and name HN) (segid " " and resid 9 and name HA) 3.627 1.644 1.644 weight 1.000 ! spec=3D Nnoesy, no=26, id=23, vol=3.190000e+07 assign (segid " " and resid 9 and name HN) (segid " " and resid 9 and name HB2) 3.161 1.249 1.249 weight 1.000 ! spec=3D Nnoesy, no=27, id=24, vol=1.110000e+08 assign (segid " " and resid 10 and name HN) (segid " " and resid 9 and name HA) 2.400 0.720 0.720 weight 1.000 ! spec=3D Nnoesy, no=28, id=25, vol=2.250000e+08 assign (segid " " and resid 10 and name HN) (segid " " and resid 9 and name HB2) 3.079 1.185 1.185 weight 1.000 ! spec=3D Nnoesy, no=29, id=26, vol=6.990000e+07 assign (segid " " and resid 10 and name HN) (segid " " and resid 9 and name HN) 4.218 2.224 2.224 weight 1.000 ! spec=3D Nnoesy, no=30, id=27, vol=7.230000e+08 assign (segid " " and resid 10 and name HN) (segid " " and resid 10 and name HA) 3.210 1.288 1.288 weight 1.000 ! spec=3D Nnoesy, no=31, id=28, vol=5.680000e+07 assign (segid " " and resid 10 and name HN) (segid " " and resid 10 and name HB2) 2.801 0.980 0.980 weight 1.000 ! spec=3D Nnoesy, no=32, id=29, vol=1.760000e+08 assign (segid " " and resid 10 and name HN) (segid " " and resid 10 and name HB1) 3.402 1.446 1.446 weight 1.000 ! spec=3D Nnoesy, no=33, id=30, vol=1.700000e+09 assign (segid " " and resid 10 and name HN) (segid " " and resid 10 and name HD21) 3.177 1.262 1.262 weight 1.000 ! spec=3D Nnoesy, no=34, id=31, vol=5.680000e+07 assign (segid " " and resid 10 and name HN) (segid " " and resid 11 and name HN) 3.777 1.783 1.783 weight 1.000 ! spec=3D Nnoesy, no=35, id=32, vol=3.220000e+07 assign (segid " " and resid 10 and name HN) (segid " " and resid 48 and name HB) 3.737 1.746 1.746 weight 1.000 ! spec=3D Nnoesy, no=36, id=33, vol=2.040000e+07 assign (segid " " and resid 10 and name HN) (segid " " and resid 48 and name HN) 3.156 1.245 1.245 weight 1.000 ! spec=3D Nnoesy, no=37, id=34, vol=1.900000e+09 assign (segid " " and resid 11 and name HH11) (segid " " and resid 11 and name HD2) 3.619 1.637 1.637 weight 1.000 ! spec=3D Nnoesy, no=38, id=35, vol=1.050000e+08 assign (segid " " and resid 11 and name HH12) (segid " " and resid 11 and name HD2) 3.617 1.636 1.636 weight 1.000 ! spec=3D Nnoesy, no=39, id=36, vol=8.220000e+07 assign (segid " " and resid 11 and name HN) (segid " " and resid 10 and name HA) 2.485 0.772 0.772 weight 1.000 ! spec=3D Nnoesy, no=40, id=37, vol=2.200000e+08 assign (segid " " and resid 11 and name HN) (segid " " and resid 10 and name HD21) 3.444 1.483 1.483 weight 1.000 ! spec=3D Nnoesy, no=41, id=38, vol=3.530000e+07 assign (segid " " and resid 11 and name HN) (segid " " and resid 11 and name HA) 3.365 1.415 1.415 weight 1.000 ! spec=3D Nnoesy, no=42, id=39, vol=5.870000e+08 assign (segid " " and resid 11 and name HN) (segid " " and resid 11 and name HB2) 3.034 1.150 1.150 weight 1.000 ! spec=3D Nnoesy, no=43, id=40, vol=2.640000e+08 assign (segid " " and resid 11 and name HN) (segid " " and resid 11 and name HB1) 2.984 1.113 1.113 weight 1.000 ! spec=3D Nnoesy, no=44, id=41, vol=2.750000e+08 assign (segid " " and resid 12 and name HN) (segid " " and resid 11 and name HA) 2.277 0.648 0.648 weight 1.000 ! spec=3D Nnoesy, no=45, id=42, vol=2.750000e+08 assign (segid " " and resid 12 and name HN) (segid " " and resid 11 and name HB2) 3.357 1.409 1.409 weight 1.000 ! spec=3D Nnoesy, no=46, id=43, vol=5.810000e+07 assign (segid " " and resid 12 and name HN) (segid " " and resid 11 and name HG1) 3.241 1.313 1.313 weight 1.000 ! spec=3D Nnoesy, no=48, id=45, vol=1.880000e+08 assign (segid " " and resid 12 and name HN) (segid " " and resid 11 and name HN) 3.798 1.803 1.803 weight 1.000 ! spec=3D Nnoesy, no=49, id=46, vol=3.460000e+07 assign (segid " " and resid 12 and name HN) (segid " " and resid 12 and name HA) 2.968 1.101 1.101 weight 1.000 ! spec=3D Nnoesy, no=50, id=47, vol=5.860000e+07 assign (segid " " and resid 12 and name HN) (segid " " and resid 12 and name HB) 2.642 0.873 0.873 weight 1.000 ! spec=3D Nnoesy, no=51, id=48, vol=1.240000e+08 assign (segid " " and resid 12 and name HN) (segid " " and resid 12 and name HG12) 3.288 1.488 2.712 weight 1.000 ! spec=3D Nnoesy, no=52, id=49, vol=1.212000e+00 assign (segid " " and resid 12 and name HN) (segid " " and resid 12 and name HG11) 3.227 1.302 1.302 weight 1.000 ! spec=3D Nnoesy, no=53, id=50, vol=1.138000e+00 assign (segid " " and resid 12 and name HN) (segid " " and resid 12 and name HG21) 3.083 1.188 1.188 weight 1.000 ! spec=3D Nnoesy, no=54, id=51, vol=1.890000e+08 assign (segid " " and resid 12 and name HN) (segid " " and resid 13 and name HN) 3.554 1.579 1.579 weight 1.000 ! spec=3D Nnoesy, no=56, id=53, vol=4.600000e+07 assign (segid " " and resid 12 and name HN) (segid " " and resid 45 and name HB2) 3.599 1.619 1.619 weight 1.000 ! spec=3D Nnoesy, no=57, id=54, vol=2.030000e+07 assign (segid " " and resid 12 and name HN) (segid " " and resid 46 and name HB1) 2.961 1.161 3.039 weight 1.000 ! spec=3D Nnoesy, no=58, id=55, vol=1.960000e+08 assign (segid " " and resid 12 and name HN) (segid " " and resid 46 and name HN) 2.902 1.053 1.053 weight 1.000 ! spec=3D Nnoesy, no=59, id=56, vol=6.680000e+07 assign (segid " " and resid 12 and name HN) (segid " " and resid 47 and name HA) 3.116 1.213 1.213 weight 1.000 ! spec=3D Nnoesy, no=60, id=57, vol=4.500000e+07 assign (segid " " and resid 13 and name HN) (segid " " and resid 11 and name HG2) 3.638 1.655 1.655 weight 1.000 ! spec=3D Nnoesy, no=61, id=58, vol=1.420000e+07 assign (segid " " and resid 13 and name HN) (segid " " and resid 12 and name HB) 3.294 1.356 1.356 weight 1.000 ! spec=3D Nnoesy, no=62, id=59, vol=3.170000e+07 assign (segid " " and resid 13 and name HN) (segid " " and resid 12 and name HG12) 3.816 1.821 1.821 weight 1.000 ! spec=3D Nnoesy, no=63, id=60, vol=6.230000e+07 assign (segid " " and resid 13 and name HN) (segid " " and resid 12 and name HG11) 3.873 1.875 1.875 weight 1.000 ! spec=3D Nnoesy, no=64, id=61, vol=1.560000e+08 assign (segid " " and resid 13 and name HN) (segid " " and resid 12 and name HG21) 2.627 0.863 0.863 weight 1.000 ! spec=3D Nnoesy, no=65, id=62, vol=9.640000e+07 assign (segid " " and resid 13 and name HN) (segid " " and resid 13 and name HB1) 2.371 0.703 0.703 weight 1.000 ! spec=3D Nnoesy, no=67, id=64, vol=2.200000e+08 assign (segid " " and resid 13 and name HN) (segid " " and resid 13 and name HG2) 2.931 1.074 1.074 weight 1.000 ! spec=3D Nnoesy, no=68, id=65, vol=7.790000e+07 assign (segid " " and resid 13 and name HN) (segid " " and resid 13 and name HG1) 3.531 1.558 1.558 weight 1.000 ! spec=3D Nnoesy, no=69, id=66, vol=1.580000e+08 assign (segid " " and resid 13 and name HN) (segid " " and resid 14 and name HN) 3.565 1.588 1.588 weight 1.000 ! spec=3D Nnoesy, no=70, id=67, vol=2.210000e+07 assign (segid " " and resid 14 and name HN) (segid " " and resid 13 and name HA) 2.236 0.625 0.625 weight 1.000 ! spec=3D Nnoesy, no=71, id=68, vol=3.010000e+08 assign (segid " " and resid 14 and name HN) (segid " " and resid 13 and name HB2) 3.233 1.307 1.307 weight 1.000 ! spec=3D Nnoesy, no=72, id=69, vol=5.170000e+07 assign (segid " " and resid 14 and name HN) (segid " " and resid 13 and name HG2) 3.795 1.801 1.801 weight 1.000 ! spec=3D Nnoesy, no=73, id=70, vol=5.970000e+07 assign (segid " " and resid 14 and name HN) (segid " " and resid 13 and name HG1) 3.852 1.854 1.854 weight 1.000 ! spec=3D Nnoesy, no=74, id=71, vol=6.730000e+07 assign (segid " " and resid 14 and name HN) (segid " " and resid 14 and name HB) 2.473 0.764 0.764 weight 1.000 ! spec=3D Nnoesy, no=76, id=73, vol=1.990000e+08 assign (segid " " and resid 14 and name HN) (segid " " and resid 14 and name HD11) 3.295 1.358 1.358 weight 1.000 ! spec=3D Nnoesy, no=77, id=74, vol=3.130000e+07 assign (segid " " and resid 14 and name HN) (segid " " and resid 14 and name HG11) 2.967 1.101 1.101 weight 1.000 ! spec=3D Nnoesy, no=78, id=75, vol=6.950000e-01 assign (segid " " and resid 14 and name HN) (segid " " and resid 14 and name HG21) 2.973 1.173 3.027 weight 1.000 ! spec=3D Nnoesy, no=79, id=76, vol=7.730000e-01 assign (segid " " and resid 14 and name HN) (segid " " and resid 45 and name HA) 2.645 0.875 0.875 weight 1.000 ! spec=3D Nnoesy, no=80, id=77, vol=1.140000e+08 assign (segid " " and resid 14 and name HN) (segid " " and resid 45 and name HB2) 3.583 1.605 1.605 weight 1.000 ! spec=3D Nnoesy, no=81, id=78, vol=3.460000e+07 assign (segid " " and resid 14 and name HN) (segid " " and resid 45 and name HN) 3.476 1.510 1.510 weight 1.000 ! spec=3D Nnoesy, no=82, id=79, vol=2.430000e+07 assign (segid " " and resid 16 and name HN) (segid " " and resid 15 and name HA) 2.164 0.585 0.585 weight 1.000 ! spec=3D Nnoesy, no=84, id=81, vol=2.310000e+08 assign (segid " " and resid 16 and name HN) (segid " " and resid 15 and name HB2) 3.047 1.161 1.161 weight 1.000 ! spec=3D Nnoesy, no=85, id=82, vol=3.820000e+07 assign (segid " " and resid 16 and name HN) (segid " " and resid 15 and name HB1) 3.277 1.343 1.343 weight 1.000 ! spec=3D Nnoesy, no=86, id=83, vol=2.600000e+07 assign (segid " " and resid 16 and name HN) (segid " " and resid 15 and name HG2) 3.744 1.752 1.752 weight 1.000 ! spec=3D Nnoesy, no=87, id=84, vol=1.830000e+07 assign (segid " " and resid 16 and name HN) (segid " " and resid 16 and name HA) 2.705 0.914 0.914 weight 1.000 ! spec=3D Nnoesy, no=88, id=85, vol=7.070000e+07 assign (segid " " and resid 16 and name HN) (segid " " and resid 16 and name HB1) 2.265 0.641 0.641 weight 1.000 ! spec=3D Nnoesy, no=89, id=86, vol=1.740000e+08 assign (segid " " and resid 17 and name HN) (segid " " and resid 15 and name HB2) 3.174 1.259 1.259 weight 1.000 ! spec=3D Nnoesy, no=92, id=89, vol=2.390000e+08 assign (segid " " and resid 17 and name HN) (segid " " and resid 15 and name HB1) 3.022 1.141 1.141 weight 1.000 ! spec=3D Nnoesy, no=93, id=90, vol=5.160000e+07 assign (segid " " and resid 17 and name HN) (segid " " and resid 15 and name HG2) 3.912 1.913 1.913 weight 1.000 ! spec=3D Nnoesy, no=94, id=91, vol=2.520000e+07 assign (segid " " and resid 17 and name HN) (segid " " and resid 16 and name HA) 2.891 1.045 1.045 weight 1.000 ! spec=3D Nnoesy, no=95, id=92, vol=5.590000e+07 assign (segid " " and resid 17 and name HN) (segid " " and resid 16 and name HB1) 2.652 0.879 0.879 weight 1.000 ! spec=3D Nnoesy, no=96, id=93, vol=9.970000e+07 assign (segid " " and resid 16 and name HN) (segid " " and resid 17 and name HN) 2.855 1.019 1.019 weight 1.000 ! spec=3D Nnoesy, no=97, id=94, vol=5.980000e+07 assign (segid " " and resid 17 and name HN) (segid " " and resid 17 and name HA) 2.585 0.835 0.835 weight 1.000 ! spec=3D Nnoesy, no=98, id=95, vol=9.800000e+07 assign (segid " " and resid 17 and name HN) (segid " " and resid 17 and name HB2) 2.848 1.014 1.014 weight 1.000 ! spec=3D Nnoesy, no=99, id=96, vol=6.030000e+07 assign (segid " " and resid 17 and name HN) (segid " " and resid 17 and name HB1) 2.723 0.927 0.927 weight 1.000 ! spec=3D Nnoesy, no=100, id=97, vol=7.900000e+07 assign (segid " " and resid 17 and name HN) (segid " " and resid 18 and name HB) 3.647 1.662 1.662 weight 1.000 ! spec=3D Nnoesy, no=101, id=98, vol=1.790000e+08 assign (segid " " and resid 17 and name HN) (segid " " and resid 18 and name HN) 2.555 0.816 0.816 weight 1.000 ! spec=3D Nnoesy, no=102, id=99, vol=1.130000e+08 assign (segid " " and resid 18 and name HN) (segid " " and resid 15 and name HB2) 3.933 1.933 1.933 weight 1.000 ! spec=3D Nnoesy, no=103, id=100, vol=2.760000e+07 assign (segid " " and resid 18 and name HN) (segid " " and resid 15 and name HB1) 3.256 1.325 1.325 weight 1.000 ! spec=3D Nnoesy, no=104, id=101, vol=4.250000e+08 assign (segid " " and resid 18 and name HN) (segid " " and resid 16 and name HA) 3.571 1.594 1.594 weight 1.000 ! spec=3D Nnoesy, no=105, id=102, vol=2.290000e+07 assign (segid " " and resid 16 and name HN) (segid " " and resid 18 and name HN) 3.701 1.712 1.712 weight 1.000 ! spec=3D Nnoesy, no=106, id=103, vol=2.520000e+07 assign (segid " " and resid 18 and name HN) (segid " " and resid 17 and name HA) 2.885 1.041 1.041 weight 1.000 ! spec=3D Nnoesy, no=107, id=104, vol=6.440000e+07 assign (segid " " and resid 18 and name HN) (segid " " and resid 17 and name HB2) 3.841 1.844 1.844 weight 1.000 ! spec=3D Nnoesy, no=108, id=105, vol=2.490000e+07 assign (segid " " and resid 18 and name HN) (segid " " and resid 17 and name HB1) 3.819 1.823 1.823 weight 1.000 ! spec=3D Nnoesy, no=109, id=106, vol=1.250000e+07 assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HA) 2.888 1.042 1.042 weight 1.000 ! spec=3D Nnoesy, no=111, id=108, vol=6.440000e+07 assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HB) 2.459 0.756 0.756 weight 1.000 ! spec=3D Nnoesy, no=112, id=109, vol=1.660000e+08 assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HG12) 2.901 1.052 1.052 weight 1.000 ! spec=3D Nnoesy, no=113, id=110, vol=7.630000e+07 assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HG11) 3.171 1.257 1.257 weight 1.000 ! spec=3D Nnoesy, no=114, id=111, vol=5.070000e+07 assign (segid " " and resid 18 and name HN) (segid " " and resid 18 and name HG21) 2.849 1.049 3.151 weight 1.000 ! spec=3D Nnoesy, no=115, id=112, vol=1.000000e+08 assign (segid " " and resid 18 and name HN) (segid " " and resid 19 and name HN) 3.432 1.472 1.472 weight 1.000 ! spec=3D Nnoesy, no=116, id=113, vol=2.180000e+07 assign (segid " " and resid 19 and name HN) (segid " " and resid 18 and name HA) 2.283 0.651 0.651 weight 1.000 ! spec=3D Nnoesy, no=117, id=114, vol=2.570000e+08 assign (segid " " and resid 19 and name HN) (segid " " and resid 18 and name HB) 3.513 1.543 1.543 weight 1.000 ! spec=3D Nnoesy, no=118, id=115, vol=2.070000e+07 assign (segid " " and resid 19 and name HN) (segid " " and resid 18 and name HG21) 2.756 0.950 0.950 weight 1.000 ! spec=3D Nnoesy, no=119, id=116, vol=8.660000e+07 assign (segid " " and resid 19 and name HN) (segid " " and resid 19 and name HB1) 2.397 0.597 3.603 weight 1.000 ! spec=3D Nnoesy, no=121, id=118, vol=1.860000e+08 assign (segid " " and resid 20 and name HN) (segid " " and resid 19 and name HA) 2.347 0.689 0.689 weight 1.000 ! spec=3D Nnoesy, no=123, id=120, vol=2.860000e+08 assign (segid " " and resid 20 and name HN) (segid " " and resid 19 and name HB1) 2.997 1.123 1.123 weight 1.000 ! spec=3D Nnoesy, no=124, id=121, vol=6.890000e+07 assign (segid " " and resid 19 and name HN) (segid " " and resid 20 and name HN) 3.596 1.617 1.617 weight 1.000 ! spec=3D Nnoesy, no=125, id=122, vol=8.239000e+00 assign (segid " " and resid 20 and name HN) (segid " " and resid 20 and name HB1) 2.680 0.898 0.898 weight 1.000 ! spec=3D Nnoesy, no=126, id=123, vol=1.400000e+08 assign (segid " " and resid 21 and name HD21) (segid " " and resid 19 and name HB1) 3.228 1.303 1.303 weight 1.000 ! spec=3D Nnoesy, no=128, id=125, vol=4.850000e+07 assign (segid " " and resid 21 and name HD21) (segid " " and resid 21 and name HA) 3.838 1.841 1.841 weight 1.000 ! spec=3D Nnoesy, no=129, id=126, vol=3.610000e+07 assign (segid " " and resid 21 and name HD21) (segid " " and resid 21 and name HB2) 3.120 1.217 1.217 weight 1.000 ! spec=3D Nnoesy, no=130, id=127, vol=5.690000e+07 assign (segid " " and resid 21 and name HD21) (segid " " and resid 21 and name HB1) 2.987 1.116 1.116 weight 1.000 ! spec=3D Nnoesy, no=131, id=128, vol=7.240000e+07 assign (segid " " and resid 21 and name HD22) (segid " " and resid 19 and name HB1) 3.150 1.240 1.240 weight 1.000 ! spec=3D Nnoesy, no=132, id=129, vol=6.690000e+07 assign (segid " " and resid 21 and name HD22) (segid " " and resid 21 and name HA) 4.110 2.112 2.112 weight 1.000 ! spec=3D Nnoesy, no=133, id=130, vol=7.700000e+07 assign (segid " " and resid 21 and name HD22) (segid " " and resid 21 and name HB2) 3.262 1.330 1.330 weight 1.000 ! spec=3D Nnoesy, no=134, id=131, vol=2.780000e+07 assign (segid " " and resid 21 and name HD22) (segid " " and resid 21 and name HB1) 3.128 1.223 1.223 weight 1.000 ! spec=3D Nnoesy, no=135, id=132, vol=3.690000e+07 assign (segid " " and resid 21 and name HN) (segid " " and resid 19 and name HB1) 3.258 1.327 1.327 weight 1.000 ! spec=3D Nnoesy, no=136, id=133, vol=8.200000e+07 assign (segid " " and resid 21 and name HN) (segid " " and resid 20 and name HA) 2.290 0.655 0.655 weight 1.000 ! spec=3D Nnoesy, no=137, id=134, vol=2.310000e+08 assign (segid " " and resid 21 and name HN) (segid " " and resid 20 and name HB1) 3.029 1.147 1.147 weight 1.000 ! spec=3D Nnoesy, no=138, id=135, vol=2.080000e+08 assign (segid " " and resid 20 and name HN) (segid " " and resid 21 and name HN) 3.475 1.509 1.509 weight 1.000 ! spec=3D Nnoesy, no=139, id=136, vol=2.070000e+07 assign (segid " " and resid 21 and name HN) (segid " " and resid 21 and name HA) 2.883 1.039 1.039 weight 1.000 ! spec=3D Nnoesy, no=140, id=137, vol=7.530000e+07 assign (segid " " and resid 21 and name HN) (segid " " and resid 21 and name HB2) 3.218 1.295 1.295 weight 1.000 ! spec=3D Nnoesy, no=141, id=138, vol=4.250000e+07 assign (segid " " and resid 21 and name HN) (segid " " and resid 21 and name HB1) 3.093 1.196 1.196 weight 1.000 ! spec=3D Nnoesy, no=142, id=139, vol=4.910000e+07 assign (segid " " and resid 21 and name HN) (segid " " and resid 22 and name HN) 3.641 1.657 1.657 weight 1.000 ! spec=3D Nnoesy, no=143, id=140, vol=1.670000e+07 assign (segid " " and resid 21 and name HN) (segid " " and resid 24 and name HA) 3.562 1.586 1.586 weight 1.000 ! spec=3D Nnoesy, no=144, id=141, vol=1.670000e+07 assign (segid " " and resid 21 and name HN) (segid " " and resid 24 and name HB2) 2.756 0.950 0.950 weight 1.000 ! spec=3D Nnoesy, no=145, id=142, vol=1.010000e+08 assign (segid " " and resid 21 and name HN) (segid " " and resid 24 and name HB1) 2.924 1.069 1.069 weight 1.000 ! spec=3D Nnoesy, no=146, id=143, vol=6.600000e+07 assign (segid " " and resid 21 and name HN) (segid " " and resid 24 and name HD11) 2.877 1.035 1.035 weight 1.000 ! spec=3D Nnoesy, no=147, id=144, vol=6.630000e+07 assign (segid " " and resid 21 and name HN) (segid " " and resid 39 and name HD11) 3.575 1.598 1.598 weight 1.000 ! spec=3D Nnoesy, no=149, id=146, vol=7.470000e+07 assign (segid " " and resid 22 and name HN) (segid " " and resid 21 and name HA) 2.716 0.922 0.922 weight 1.000 ! spec=3D Nnoesy, no=150, id=147, vol=1.370000e+08 assign (segid " " and resid 22 and name HN) (segid " " and resid 21 and name HB2) 2.530 0.800 0.800 weight 1.000 ! spec=3D Nnoesy, no=151, id=148, vol=1.290000e+08 assign (segid " " and resid 22 and name HN) (segid " " and resid 21 and name HB1) 2.859 1.022 1.022 weight 1.000 ! spec=3D Nnoesy, no=152, id=149, vol=6.650000e+07 assign (segid " " and resid 22 and name HN) (segid " " and resid 22 and name HA) 2.864 1.025 1.025 weight 1.000 ! spec=3D Nnoesy, no=154, id=151, vol=6.050000e+07 assign (segid " " and resid 22 and name HN) (segid " " and resid 22 and name HG2) 3.098 1.298 2.902 weight 1.000 ! spec=3D Nnoesy, no=155, id=152, vol=3.440000e+08 assign (segid " " and resid 23 and name HN) (segid " " and resid 21 and name HA) 3.630 1.647 1.647 weight 1.000 ! spec=3D Nnoesy, no=157, id=154, vol=1.180000e+07 assign (segid " " and resid 23 and name HN) (segid " " and resid 21 and name HB2) 3.174 1.259 1.259 weight 1.000 ! spec=3D Nnoesy, no=158, id=155, vol=2.610000e+07 assign (segid " " and resid 23 and name HN) (segid " " and resid 21 and name HB1) 3.591 1.612 1.612 weight 1.000 ! spec=3D Nnoesy, no=159, id=156, vol=1.500000e+07 assign (segid " " and resid 23 and name HN) (segid " " and resid 21 and name HD22) 3.444 1.483 1.483 weight 1.000 ! spec=3D Nnoesy, no=160, id=157, vol=1.580000e+07 assign (segid " " and resid 23 and name HN) (segid " " and resid 21 and name HN) 3.579 1.601 1.601 weight 1.000 ! spec=3D Nnoesy, no=161, id=158, vol=7.199000e+00 assign (segid " " and resid 23 and name HN) (segid " " and resid 22 and name HB1) 2.572 0.827 0.827 weight 1.000 ! spec=3D Nnoesy, no=162, id=159, vol=7.670000e+08 assign (segid " " and resid 23 and name HN) (segid " " and resid 22 and name HG2) 3.294 1.356 1.356 weight 1.000 ! spec=3D Nnoesy, no=163, id=160, vol=2.490000e+07 assign (segid " " and resid 22 and name HN) (segid " " and resid 23 and name HN) 2.686 0.902 0.902 weight 1.000 ! spec=3D Nnoesy, no=164, id=161, vol=3.870000e+08 assign (segid " " and resid 23 and name HN) (segid " " and resid 23 and name HA) 2.432 0.739 0.739 weight 1.000 ! spec=3D Nnoesy, no=165, id=162, vol=1.310000e+08 assign (segid " " and resid 23 and name HN) (segid " " and resid 23 and name HB1) 2.058 0.529 0.529 weight 1.000 ! spec=3D Nnoesy, no=166, id=163, vol=2.630000e+08 assign (segid " " and resid 24 and name HN) (segid " " and resid 20 and name HA) 3.728 1.737 1.737 weight 1.000 ! spec=3D Nnoesy, no=167, id=164, vol=1.920000e+07 assign (segid " " and resid 24 and name HN) (segid " " and resid 21 and name HA) 3.756 1.763 1.763 weight 1.000 ! spec=3D Nnoesy, no=168, id=165, vol=9.430000e+06 assign (segid " " and resid 24 and name HN) (segid " " and resid 21 and name HD22) 3.717 1.727 1.727 weight 1.000 ! spec=3D Nnoesy, no=169, id=166, vol=7.530000e+07 assign (segid " " and resid 21 and name HN) (segid " " and resid 24 and name HN) 2.987 1.115 1.115 weight 1.000 ! spec=3D Nnoesy, no=170, id=167, vol=7.201000e+00 assign (segid " " and resid 24 and name HN) (segid " " and resid 23 and name HB1) 2.425 0.625 3.575 weight 1.000 ! spec=3D Nnoesy, no=171, id=168, vol=1.460000e+08 assign (segid " " and resid 24 and name HN) (segid " " and resid 23 and name HN) 2.421 0.733 0.733 weight 1.000 ! spec=3D Nnoesy, no=172, id=169, vol=7.786000e+00 assign (segid " " and resid 24 and name HN) (segid " " and resid 24 and name HA) 2.504 0.784 0.784 weight 1.000 ! spec=3D Nnoesy, no=173, id=170, vol=1.280000e+08 assign (segid " " and resid 24 and name HN) (segid " " and resid 24 and name HB2) 2.337 0.683 0.683 weight 1.000 ! spec=3D Nnoesy, no=174, id=171, vol=1.780000e+08 assign (segid " " and resid 24 and name HN) (segid " " and resid 24 and name HB1) 2.353 0.692 0.692 weight 1.000 ! spec=3D Nnoesy, no=175, id=172, vol=1.700000e+08 assign (segid " " and resid 24 and name HN) (segid " " and resid 24 and name HD21) 2.804 1.004 3.196 weight 1.000 ! spec=3D Nnoesy, no=176, id=173, vol=5.130000e+07 assign (segid " " and resid 24 and name HN) (segid " " and resid 25 and name HN) 2.301 0.662 0.662 weight 1.000 ! spec=3D Nnoesy, no=177, id=174, vol=7.575000e+00 assign (segid " " and resid 25 and name HN) (segid " " and resid 22 and name HA) 2.811 0.988 0.988 weight 1.000 ! spec=3D Nnoesy, no=178, id=175, vol=4.710000e+09 assign (segid " " and resid 25 and name HN) (segid " " and resid 24 and name HB2) 2.696 0.909 0.909 weight 1.000 ! spec=3D Nnoesy, no=179, id=176, vol=9.550000e+07 assign (segid " " and resid 25 and name HN) (segid " " and resid 24 and name HD21) 3.180 1.264 1.264 weight 1.000 ! spec=3D Nnoesy, no=180, id=177, vol=6.110000e+09 assign (segid " " and resid 25 and name HN) (segid " " and resid 24 and name HG) 3.232 1.306 1.306 weight 1.000 ! spec=3D Nnoesy, no=181, id=178, vol=3.070000e+09 assign (segid " " and resid 25 and name HN) (segid " " and resid 25 and name HA) 2.761 0.953 0.953 weight 1.000 ! spec=3D Nnoesy, no=183, id=180, vol=8.220000e+07 assign (segid " " and resid 25 and name HN) (segid " " and resid 25 and name HB2) 2.579 0.832 0.832 weight 1.000 ! spec=3D Nnoesy, no=184, id=181, vol=1.320000e+08 assign (segid " " and resid 25 and name HN) (segid " " and resid 25 and name HB1) 2.410 0.726 0.726 weight 1.000 ! spec=3D Nnoesy, no=185, id=182, vol=1.920000e+08 assign (segid " " and resid 25 and name HN) (segid " " and resid 25 and name HG2) 3.266 1.333 1.333 weight 1.000 ! spec=3D Nnoesy, no=186, id=183, vol=3.270000e+09 assign (segid " " and resid 25 and name HN) (segid " " and resid 26 and name HG11) 3.760 1.767 1.767 weight 1.000 ! spec=3D Nnoesy, no=187, id=184, vol=1.310000e+07 assign (segid " " and resid 25 and name HN) (segid " " and resid 39 and name HD11) 3.321 1.379 1.379 weight 1.000 ! spec=3D Nnoesy, no=189, id=186, vol=2.520000e+07 assign (segid " " and resid 26 and name HN) (segid " " and resid 23 and name HA) 2.831 1.002 1.002 weight 1.000 ! spec=3D Nnoesy, no=190, id=187, vol=6.330000e+07 assign (segid " " and resid 26 and name HN) (segid " " and resid 25 and name HB2) 2.567 0.823 0.823 weight 1.000 ! spec=3D Nnoesy, no=191, id=188, vol=4.540000e+08 assign (segid " " and resid 26 and name HN) (segid " " and resid 25 and name HB1) 2.803 0.982 0.982 weight 1.000 ! spec=3D Nnoesy, no=192, id=189, vol=6.940000e+07 assign (segid " " and resid 26 and name HN) (segid " " and resid 25 and name HG1) 3.144 1.235 1.235 weight 1.000 ! spec=3D Nnoesy, no=193, id=190, vol=9.760000e+07 assign (segid " " and resid 25 and name HN) (segid " " and resid 26 and name HN) 2.762 0.953 0.953 weight 1.000 ! spec=3D Nnoesy, no=194, id=191, vol=7.567000e+00 assign (segid " " and resid 26 and name HN) (segid " " and resid 26 and name HA) 2.544 0.809 0.809 weight 1.000 ! spec=3D Nnoesy, no=195, id=192, vol=1.000000e+08 assign (segid " " and resid 26 and name HN) (segid " " and resid 26 and name HB) 2.266 0.466 3.734 weight 1.000 ! spec=3D Nnoesy, no=196, id=193, vol=3.030000e+08 assign (segid " " and resid 26 and name HN) (segid " " and resid 26 and name HG11) 2.306 0.664 0.664 weight 1.000 ! spec=3D Nnoesy, no=197, id=194, vol=1.600000e+08 assign (segid " " and resid 26 and name HN) (segid " " and resid 26 and name HG21) 2.767 0.957 0.957 weight 1.000 ! spec=3D Nnoesy, no=198, id=195, vol=6.120000e+07 assign (segid " " and resid 26 and name HN) (segid " " and resid 27 and name HN) 2.581 0.833 0.833 weight 1.000 ! spec=3D Nnoesy, no=199, id=196, vol=7.497000e+00 assign (segid " " and resid 26 and name HN) (segid " " and resid 28 and name HN) 3.702 1.713 1.713 weight 1.000 ! spec=3D Nnoesy, no=200, id=197, vol=8.080000e+06 assign (segid " " and resid 27 and name HN) (segid " " and resid 24 and name HA) 2.983 1.112 1.112 weight 1.000 ! spec=3D Nnoesy, no=201, id=198, vol=2.430000e+08 assign (segid " " and resid 27 and name HN) (segid " " and resid 26 and name HA) 3.082 1.187 1.187 weight 1.000 ! spec=3D Nnoesy, no=202, id=199, vol=3.600000e+07 assign (segid " " and resid 27 and name HN) (segid " " and resid 26 and name HB) 2.540 0.740 3.460 weight 1.000 ! spec=3D Nnoesy, no=203, id=200, vol=5.060000e+08 assign (segid " " and resid 27 and name HN) (segid " " and resid 26 and name HG11) 3.125 1.221 1.221 weight 1.000 ! spec=3D Nnoesy, no=204, id=201, vol=3.190000e+07 assign (segid " " and resid 27 and name HN) (segid " " and resid 26 and name HG21) 2.889 1.043 1.043 weight 1.000 ! spec=3D Nnoesy, no=205, id=202, vol=3.980000e+07 assign (segid " " and resid 27 and name HN) (segid " " and resid 27 and name HA) 2.555 0.816 0.816 weight 1.000 ! spec=3D Nnoesy, no=207, id=204, vol=1.660000e+08 assign (segid " " and resid 27 and name HN) (segid " " and resid 27 and name HB2) 2.338 0.683 0.683 weight 1.000 ! spec=3D Nnoesy, no=208, id=205, vol=4.320000e+08 assign (segid " " and resid 27 and name HN) (segid " " and resid 27 and name HD2) 3.581 1.603 1.603 weight 1.000 ! spec=3D Nnoesy, no=209, id=206, vol=1.460000e+07 assign (segid " " and resid 27 and name HN) (segid " " and resid 27 and name HG2) 2.673 0.893 0.893 weight 1.000 ! spec=3D Nnoesy, no=210, id=207, vol=8.390000e+07 assign (segid " " and resid 28 and name HN) (segid " " and resid 24 and name HG) 3.407 1.451 1.451 weight 1.000 ! spec=3D Nnoesy, no=212, id=209, vol=2.660000e+07 assign (segid " " and resid 28 and name HN) (segid " " and resid 25 and name HA) 3.007 1.130 1.130 weight 1.000 ! spec=3D Nnoesy, no=213, id=210, vol=5.090000e+07 assign (segid " " and resid 28 and name HN) (segid " " and resid 27 and name HA) 3.080 1.186 1.186 weight 1.000 ! spec=3D Nnoesy, no=214, id=211, vol=2.460000e+08 assign (segid " " and resid 28 and name HN) (segid " " and resid 27 and name HD2) 3.682 1.695 1.695 weight 1.000 ! spec=3D Nnoesy, no=215, id=212, vol=2.260000e+07 assign (segid " " and resid 28 and name HN) (segid " " and resid 27 and name HG2) 3.010 1.132 1.132 weight 1.000 ! spec=3D Nnoesy, no=216, id=213, vol=4.420000e+07 assign (segid " " and resid 27 and name HN) (segid " " and resid 28 and name HN) 2.535 0.803 0.803 weight 1.000 ! spec=3D Nnoesy, no=217, id=214, vol=1.030000e+08 assign (segid " " and resid 28 and name HN) (segid " " and resid 28 and name HA) 2.592 0.840 0.840 weight 1.000 ! spec=3D Nnoesy, no=218, id=215, vol=1.010000e+08 assign (segid " " and resid 28 and name HN) (segid " " and resid 28 and name HB2) 2.300 0.661 0.661 weight 1.000 ! spec=3D Nnoesy, no=219, id=216, vol=6.520000e+08 assign (segid " " and resid 28 and name HN) (segid " " and resid 28 and name HB1) 2.677 0.896 0.896 weight 1.000 ! spec=3D Nnoesy, no=220, id=217, vol=7.560000e+07 assign (segid " " and resid 28 and name HN) (segid " " and resid 28 and name HD11) 3.045 1.159 1.159 weight 1.000 ! spec=3D Nnoesy, no=221, id=218, vol=9.190000e+09 assign (segid " " and resid 28 and name HN) (segid " " and resid 28 and name HD21) 2.919 1.065 1.065 weight 1.000 ! spec=3D Nnoesy, no=222, id=219, vol=1.720000e+08 assign (segid " " and resid 28 and name HN) (segid " " and resid 28 and name HG) 2.407 0.724 0.724 weight 1.000 ! spec=3D Nnoesy, no=223, id=220, vol=5.330000e+08 assign (segid " " and resid 28 and name HN) (segid " " and resid 29 and name HN) 2.487 0.773 0.773 weight 1.000 ! spec=3D Nnoesy, no=224, id=221, vol=8.132000e+00 assign (segid " " and resid 28 and name HN) (segid " " and resid 30 and name HN) 3.419 1.461 1.461 weight 1.000 ! spec=3D Nnoesy, no=225, id=222, vol=3.670000e+08 assign (segid " " and resid 29 and name HN) (segid " " and resid 26 and name HA) 2.892 1.045 1.045 weight 1.000 ! spec=3D Nnoesy, no=226, id=223, vol=4.740000e+07 assign (segid " " and resid 29 and name HN) (segid " " and resid 27 and name HA) 3.704 1.715 1.715 weight 1.000 ! spec=3D Nnoesy, no=227, id=224, vol=4.510000e+08 assign (segid " " and resid 29 and name HN) (segid " " and resid 28 and name HB2) 2.770 0.959 0.959 weight 1.000 ! spec=3D Nnoesy, no=228, id=225, vol=6.950000e+07 assign (segid " " and resid 29 and name HN) (segid " " and resid 28 and name HB1) 2.938 1.079 1.079 weight 1.000 ! spec=3D Nnoesy, no=229, id=226, vol=4.510000e+07 assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HA) 2.524 0.797 0.797 weight 1.000 ! spec=3D Nnoesy, no=231, id=228, vol=3.410000e+08 assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HB2) 2.352 0.692 0.692 weight 1.000 ! spec=3D Nnoesy, no=232, id=229, vol=1.820000e+08 assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HB1) 2.614 0.854 0.854 weight 1.000 ! spec=3D Nnoesy, no=233, id=230, vol=8.510000e+07 assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HD21) 2.620 0.820 3.380 weight 1.000 ! spec=3D Nnoesy, no=234, id=231, vol=1.530000e+08 assign (segid " " and resid 29 and name HN) (segid " " and resid 29 and name HG) 2.461 0.757 0.757 weight 1.000 ! spec=3D Nnoesy, no=235, id=232, vol=1.430000e+08 assign (segid " " and resid 29 and name HN) (segid " " and resid 30 and name HN) 2.614 0.854 0.854 weight 1.000 ! spec=3D Nnoesy, no=236, id=233, vol=7.369000e+00 assign (segid " " and resid 29 and name HN) (segid " " and resid 31 and name HN) 3.352 1.405 1.405 weight 1.000 ! spec=3D Nnoesy, no=237, id=234, vol=7.621000e+00 assign (segid " " and resid 30 and name HN) (segid " " and resid 26 and name HA) 3.695 1.707 1.707 weight 1.000 ! spec=3D Nnoesy, no=238, id=235, vol=1.350000e+07 assign (segid " " and resid 30 and name HN) (segid " " and resid 27 and name HA) 3.116 1.214 1.214 weight 1.000 ! spec=3D Nnoesy, no=239, id=236, vol=2.460000e+08 assign (segid " " and resid 30 and name HN) (segid " " and resid 28 and name HB1) 3.868 1.870 1.870 weight 1.000 ! spec=3D Nnoesy, no=240, id=237, vol=1.800000e+07 assign (segid " " and resid 30 and name HN) (segid " " and resid 29 and name HA) 2.936 1.078 1.078 weight 1.000 ! spec=3D Nnoesy, no=242, id=239, vol=6.440000e+07 assign (segid " " and resid 30 and name HN) (segid " " and resid 29 and name HB2) 3.053 1.165 1.165 weight 1.000 ! spec=3D Nnoesy, no=243, id=240, vol=5.660000e+07 assign (segid " " and resid 30 and name HN) (segid " " and resid 29 and name HB1) 3.237 1.310 1.310 weight 1.000 ! spec=3D Nnoesy, no=244, id=241, vol=7.290000e+07 assign (segid " " and resid 30 and name HN) (segid " " and resid 29 and name HG) 3.596 1.617 1.617 weight 1.000 ! spec=3D Nnoesy, no=245, id=242, vol=1.030000e+08 assign (segid " " and resid 30 and name HN) (segid " " and resid 30 and name HA) 2.618 0.857 0.857 weight 1.000 ! spec=3D Nnoesy, no=247, id=244, vol=1.250000e+08 assign (segid " " and resid 30 and name HN) (segid " " and resid 30 and name HB1) 2.453 0.752 0.752 weight 1.000 ! spec=3D Nnoesy, no=248, id=245, vol=2.530000e+08 assign (segid " " and resid 30 and name HN) (segid " " and resid 30 and name HG2) 2.705 0.915 0.915 weight 1.000 ! spec=3D Nnoesy, no=249, id=246, vol=8.470000e+07 assign (segid " " and resid 30 and name HN) (segid " " and resid 30 and name HG1) 3.080 1.186 1.186 weight 1.000 ! spec=3D Nnoesy, no=250, id=247, vol=2.950000e+08 assign (segid " " and resid 31 and name HN) (segid " " and resid 30 and name HB1) 3.236 1.309 1.309 weight 1.000 ! spec=3D Nnoesy, no=252, id=249, vol=9.930000e+09 assign (segid " " and resid 31 and name HN) (segid " " and resid 30 and name HG2) 3.861 1.863 1.863 weight 1.000 ! spec=3D Nnoesy, no=253, id=250, vol=8.520000e+06 assign (segid " " and resid 30 and name HN) (segid " " and resid 31 and name HN) 2.466 0.760 0.760 weight 1.000 ! spec=3D Nnoesy, no=254, id=251, vol=7.370000e+00 assign (segid " " and resid 31 and name HN) (segid " " and resid 31 and name HA) 2.631 0.865 0.865 weight 1.000 ! spec=3D Nnoesy, no=255, id=252, vol=1.730000e+08 assign (segid " " and resid 31 and name HN) (segid " " and resid 31 and name HB) 2.247 0.631 0.631 weight 1.000 ! spec=3D Nnoesy, no=256, id=253, vol=2.240000e+08 assign (segid " " and resid 31 and name HN) (segid " " and resid 31 and name HG21) 2.960 1.160 3.040 weight 1.000 ! spec=3D Nnoesy, no=257, id=254, vol=4.570000e+07 assign (segid " " and resid 31 and name HN) (segid " " and resid 34 and name HB) 3.110 1.209 1.209 weight 1.000 ! spec=3D Nnoesy, no=259, id=256, vol=4.210000e+07 assign (segid " " and resid 31 and name HN) (segid " " and resid 34 and name HG11) 2.863 1.024 1.024 weight 1.000 ! spec=3D Nnoesy, no=260, id=257, vol=6.350000e+07 assign (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HA) 1.900 0.451 0.451 weight 1.000 ! spec=3D Nnoesy, no=261, id=258, vol=4.510000e+08 assign (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HB) 3.101 1.202 1.202 weight 1.000 ! spec=3D Nnoesy, no=262, id=259, vol=2.860000e+07 assign (segid " " and resid 32 and name HN) (segid " " and resid 31 and name HG21) 2.440 0.744 0.744 weight 1.000 ! spec=3D Nnoesy, no=263, id=260, vol=1.030000e+08 assign (segid " " and resid 31 and name HN) (segid " " and resid 32 and name HN) 3.438 1.478 1.478 weight 1.000 ! spec=3D Nnoesy, no=264, id=261, vol=2.280000e+07 assign (segid " " and resid 32 and name HN) (segid " " and resid 32 and name HB2) 2.249 0.632 0.632 weight 1.000 ! spec=3D Nnoesy, no=265, id=262, vol=4.050000e+08 assign (segid " " and resid 32 and name HN) (segid " " and resid 32 and name HB1) 2.408 0.725 0.725 weight 1.000 ! spec=3D Nnoesy, no=266, id=263, vol=4.910000e+08 assign (segid " " and resid 32 and name HN) (segid " " and resid 32 and name HG2) 2.864 1.064 3.136 weight 1.000 ! spec=3D Nnoesy, no=267, id=264, vol=4.180000e+07 assign (segid " " and resid 33 and name HN) (segid " " and resid 32 and name HA) 2.043 0.522 0.522 weight 1.000 ! spec=3D Nnoesy, no=268, id=265, vol=4.350000e+08 assign (segid " " and resid 33 and name HN) (segid " " and resid 32 and name HB2) 3.277 1.342 1.342 weight 1.000 ! spec=3D Nnoesy, no=269, id=266, vol=1.100000e+08 assign (segid " " and resid 33 and name HN) (segid " " and resid 32 and name HB1) 3.270 1.337 1.337 weight 1.000 ! spec=3D Nnoesy, no=270, id=267, vol=1.160000e+08 assign (segid " " and resid 33 and name HN) (segid " " and resid 32 and name HG2) 2.950 1.088 1.088 weight 1.000 ! spec=3D Nnoesy, no=271, id=268, vol=5.760000e+07 assign (segid " " and resid 33 and name HN) (segid " " and resid 32 and name HN) 3.333 1.389 1.389 weight 1.000 ! spec=3D Nnoesy, no=272, id=269, vol=2.750000e+07 assign (segid " " and resid 33 and name HN) (segid " " and resid 33 and name HA2) 2.630 0.864 0.864 weight 1.000 ! spec=3D Nnoesy, no=273, id=270, vol=1.120000e+08 assign (segid " " and resid 33 and name HN) (segid " " and resid 33 and name HA1) 2.411 0.727 0.727 weight 1.000 ! spec=3D Nnoesy, no=274, id=271, vol=1.910000e+08 assign (segid " " and resid 33 and name HN) (segid " " and resid 34 and name HN) 2.592 0.840 0.840 weight 1.000 ! spec=3D Nnoesy, no=275, id=272, vol=1.080000e+08 assign (segid " " and resid 34 and name HN) (segid " " and resid 32 and name HN) 3.726 1.736 1.736 weight 1.000 ! spec=3D Nnoesy, no=276, id=273, vol=1.670000e+07 assign (segid " " and resid 34 and name HN) (segid " " and resid 33 and name HA2) 2.913 1.060 1.060 weight 1.000 ! spec=3D Nnoesy, no=277, id=274, vol=7.440000e+07 assign (segid " " and resid 34 and name HN) (segid " " and resid 33 and name HA1) 3.049 1.162 1.162 weight 1.000 ! spec=3D Nnoesy, no=278, id=275, vol=5.030000e+07 assign (segid " " and resid 34 and name HN) (segid " " and resid 34 and name HA) 2.588 0.837 0.837 weight 1.000 ! spec=3D Nnoesy, no=280, id=277, vol=1.370000e+08 assign (segid " " and resid 34 and name HN) (segid " " and resid 34 and name HB) 2.228 0.428 3.772 weight 1.000 ! spec=3D Nnoesy, no=281, id=278, vol=2.680000e+08 assign (segid " " and resid 34 and name HN) (segid " " and resid 34 and name HG11) 2.324 0.524 3.676 weight 1.000 ! spec=3D Nnoesy, no=282, id=279, vol=2.140000e+08 assign (segid " " and resid 34 and name HN) (segid " " and resid 35 and name HN) 3.746 1.754 1.754 weight 1.000 ! spec=3D Nnoesy, no=283, id=280, vol=1.510000e+07 assign (segid " " and resid 34 and name HN) (segid " " and resid 50 and name HA) 4.154 2.157 2.157 weight 1.000 ! spec=3D Nnoesy, no=284, id=281, vol=1.480000e+08 assign (segid " " and resid 35 and name HN) (segid " " and resid 34 and name HA) 2.318 0.672 0.672 weight 1.000 ! spec=3D Nnoesy, no=285, id=282, vol=2.690000e+08 assign (segid " " and resid 35 and name HN) (segid " " and resid 34 and name HG11) 2.700 0.900 3.300 weight 1.000 ! spec=3D Nnoesy, no=286, id=283, vol=2.000000e+08 assign (segid " " and resid 35 and name HN) (segid " " and resid 35 and name HA) 2.989 1.116 1.116 weight 1.000 ! spec=3D Nnoesy, no=288, id=285, vol=6.910000e+07 assign (segid " " and resid 35 and name HN) (segid " " and resid 35 and name HB2) 3.014 1.136 1.136 weight 1.000 ! spec=3D Nnoesy, no=289, id=286, vol=5.950000e+07 assign (segid " " and resid 35 and name HN) (segid " " and resid 35 and name HD2) 3.305 1.365 1.365 weight 1.000 ! spec=3D Nnoesy, no=290, id=287, vol=5.160000e+08 assign (segid " " and resid 35 and name HN) (segid " " and resid 35 and name HG2) 2.521 0.794 0.794 weight 1.000 ! spec=3D Nnoesy, no=291, id=288, vol=2.260000e+08 assign (segid " " and resid 35 and name HN) (segid " " and resid 37 and name HG21) 3.162 1.362 2.838 weight 1.000 ! spec=3D Nnoesy, no=293, id=290, vol=3.010000e+08 assign (segid " " and resid 35 and name HN) (segid " " and resid 49 and name HN) 3.593 1.614 1.614 weight 1.000 ! spec=3D Nnoesy, no=294, id=291, vol=3.270000e+07 assign (segid " " and resid 35 and name HN) (segid " " and resid 50 and name HA) 2.878 1.035 1.035 weight 1.000 ! spec=3D Nnoesy, no=295, id=292, vol=8.280000e+07 assign (segid " " and resid 36 and name HN) (segid " " and resid 29 and name HD21) 2.881 1.037 1.037 weight 1.000 ! spec=3D Nnoesy, no=296, id=293, vol=2.210000e+09 assign (segid " " and resid 36 and name HN) (segid " " and resid 34 and name HA) 3.055 1.166 1.166 weight 1.000 ! spec=3D Nnoesy, no=297, id=294, vol=4.830000e+07 assign (segid " " and resid 36 and name HN) (segid " " and resid 34 and name HG11) 2.571 0.771 3.429 weight 1.000 ! spec=3D Nnoesy, no=298, id=295, vol=1.240000e+08 assign (segid " " and resid 36 and name HN) (segid " " and resid 35 and name HA) 3.206 1.285 1.285 weight 1.000 ! spec=3D Nnoesy, no=299, id=296, vol=2.880000e+08 assign (segid " " and resid 36 and name HN) (segid " " and resid 35 and name HB1) 2.656 0.882 0.882 weight 1.000 ! spec=3D Nnoesy, no=300, id=297, vol=1.360000e+08 assign (segid " " and resid 35 and name HN) (segid " " and resid 36 and name HN) 2.388 0.713 0.713 weight 1.000 ! spec=3D Nnoesy, no=301, id=298, vol=1.700000e+08 assign (segid " " and resid 36 and name HN) (segid " " and resid 36 and name HA) 2.802 0.981 0.981 weight 1.000 ! spec=3D Nnoesy, no=302, id=299, vol=1.480000e+08 assign (segid " " and resid 36 and name HN) (segid " " and resid 36 and name HB2) 3.285 1.349 1.349 weight 1.000 ! spec=3D Nnoesy, no=303, id=300, vol=1.210000e+10 assign (segid " " and resid 36 and name HN) (segid " " and resid 36 and name HB1) 2.678 0.896 0.896 weight 1.000 ! spec=3D Nnoesy, no=304, id=301, vol=7.410000e+08 assign (segid " " and resid 36 and name HN) (segid " " and resid 36 and name HG2) 3.290 1.353 1.353 weight 1.000 ! spec=3D Nnoesy, no=305, id=302, vol=3.670000e+07 assign (segid " " and resid 36 and name HN) (segid " " and resid 37 and name HN) 3.320 1.378 1.378 weight 1.000 ! spec=3D Nnoesy, no=306, id=303, vol=3.390000e+07 assign (segid " " and resid 36 and name HN) (segid " " and resid 48 and name HA) 3.649 1.664 1.664 weight 1.000 ! spec=3D Nnoesy, no=307, id=304, vol=6.300000e+07 assign (segid " " and resid 36 and name HN) (segid " " and resid 49 and name HB2) 2.666 0.888 0.888 weight 1.000 ! spec=3D Nnoesy, no=308, id=305, vol=1.400000e+08 assign (segid " " and resid 36 and name HN) (segid " " and resid 49 and name HN) 2.849 1.015 1.015 weight 1.000 ! spec=3D Nnoesy, no=309, id=306, vol=1.450000e+09 assign (segid " " and resid 36 and name HN) (segid " " and resid 50 and name HA) 3.681 1.694 1.694 weight 1.000 ! spec=3D Nnoesy, no=310, id=307, vol=8.210000e+07 assign (segid " " and resid 37 and name HN) (segid " " and resid 25 and name HE2) 3.960 1.961 1.961 weight 1.000 ! spec=3D Nnoesy, no=311, id=308, vol=3.300000e+07 assign (segid " " and resid 37 and name HN) (segid " " and resid 36 and name HA) 2.196 0.603 0.603 weight 1.000 ! spec=3D Nnoesy, no=312, id=309, vol=3.180000e+08 assign (segid " " and resid 37 and name HN) (segid " " and resid 36 and name HB2) 2.896 1.048 1.048 weight 1.000 ! spec=3D Nnoesy, no=313, id=310, vol=3.260000e+08 assign (segid " " and resid 37 and name HN) (segid " " and resid 36 and name HG2) 2.915 1.062 1.062 weight 1.000 ! spec=3D Nnoesy, no=314, id=311, vol=7.130000e+07 assign (segid " " and resid 37 and name HN) (segid " " and resid 37 and name HA) 2.891 1.045 1.045 weight 1.000 ! spec=3D Nnoesy, no=316, id=313, vol=3.960000e+07 assign (segid " " and resid 37 and name HN) (segid " " and resid 37 and name HB) 2.615 0.854 0.854 weight 1.000 ! spec=3D Nnoesy, no=317, id=314, vol=1.660000e+09 assign (segid " " and resid 37 and name HN) (segid " " and resid 37 and name HG21) 2.562 0.762 3.438 weight 1.000 ! spec=3D Nnoesy, no=318, id=315, vol=2.020000e+08 assign (segid " " and resid 38 and name HN) (segid " " and resid 37 and name HA) 2.347 0.689 0.689 weight 1.000 ! spec=3D Nnoesy, no=320, id=317, vol=2.440000e+08 assign (segid " " and resid 38 and name HN) (segid " " and resid 37 and name HG11) 2.633 0.867 0.867 weight 1.000 ! spec=3D Nnoesy, no=321, id=318, vol=1.720000e+08 assign (segid " " and resid 37 and name HN) (segid " " and resid 38 and name HN) 3.399 1.444 1.444 weight 1.000 ! spec=3D Nnoesy, no=322, id=319, vol=3.040000e+07 assign (segid " " and resid 38 and name HN) (segid " " and resid 38 and name HB2) 2.862 1.024 1.024 weight 1.000 ! spec=3D Nnoesy, no=323, id=320, vol=2.390000e+08 assign (segid " " and resid 38 and name HN) (segid " " and resid 38 and name HB1) 2.925 1.069 1.069 weight 1.000 ! spec=3D Nnoesy, no=324, id=321, vol=2.290000e+08 assign (segid " " and resid 38 and name HN) (segid " " and resid 38 and name HG) 3.509 1.539 1.539 weight 1.000 ! spec=3D Nnoesy, no=325, id=322, vol=2.180000e+07 assign (segid " " and resid 38 and name HN) (segid " " and resid 47 and name HA) 3.767 1.773 1.773 weight 1.000 ! spec=3D Nnoesy, no=326, id=323, vol=4.690000e+07 assign (segid " " and resid 38 and name HN) (segid " " and resid 47 and name HB2) 3.442 1.481 1.481 weight 1.000 ! spec=3D Nnoesy, no=327, id=324, vol=4.960000e+07 assign (segid " " and resid 38 and name HN) (segid " " and resid 47 and name HN) 3.173 1.258 1.258 weight 1.000 ! spec=3D Nnoesy, no=328, id=325, vol=5.180000e+07 assign (segid " " and resid 38 and name HN) (segid " " and resid 48 and name HA) 3.261 1.329 1.329 weight 1.000 ! spec=3D Nnoesy, no=329, id=326, vol=3.060000e+07 assign (segid " " and resid 38 and name HN) (segid " " and resid 49 and name HN) 3.864 1.867 1.867 weight 1.000 ! spec=3D Nnoesy, no=330, id=327, vol=2.340000e+07 assign (segid " " and resid 39 and name HN) (segid " " and resid 39 and name HA) 4.247 2.254 2.254 weight 1.000 ! spec=3D Nnoesy, no=331, id=328, vol=5.460000e+08 assign (segid " " and resid 39 and name HN) (segid " " and resid 39 and name HB) 3.406 1.450 1.450 weight 1.000 ! spec=3D Nnoesy, no=332, id=329, vol=6.750000e+09 assign (segid " " and resid 39 and name HN) (segid " " and resid 39 and name HG11) 3.753 1.761 1.761 weight 1.000 ! spec=3D Nnoesy, no=333, id=330, vol=1.030000e+09 assign (segid " " and resid 40 and name HN) (segid " " and resid 14 and name HD11) 3.957 1.958 1.958 weight 1.000 ! spec=3D Nnoesy, no=334, id=331, vol=2.810000e+07 assign (segid " " and resid 40 and name HN) (segid " " and resid 39 and name HA) 2.255 0.635 0.635 weight 1.000 ! spec=3D Nnoesy, no=335, id=332, vol=2.950000e+08 assign (segid " " and resid 40 and name HN) (segid " " and resid 39 and name HB) 3.409 1.452 1.452 weight 1.000 ! spec=3D Nnoesy, no=336, id=333, vol=2.780000e+07 assign (segid " " and resid 40 and name HN) (segid " " and resid 39 and name HG21) 2.769 0.958 0.958 weight 1.000 ! spec=3D Nnoesy, no=337, id=334, vol=1.130000e+08 assign (segid " " and resid 40 and name HN) (segid " " and resid 40 and name HA) 2.924 1.069 1.069 weight 1.000 ! spec=3D Nnoesy, no=338, id=335, vol=5.980000e+07 assign (segid " " and resid 40 and name HN) (segid " " and resid 40 and name HB1) 2.502 0.783 0.783 weight 1.000 ! spec=3D Nnoesy, no=339, id=336, vol=1.620000e+08 assign (segid " " and resid 40 and name HN) (segid " " and resid 45 and name HB2) 3.864 1.867 1.867 weight 1.000 ! spec=3D Nnoesy, no=341, id=338, vol=1.670000e+07 assign (segid " " and resid 40 and name HN) (segid " " and resid 46 and name HA) 2.936 1.078 1.078 weight 1.000 ! spec=3D Nnoesy, no=343, id=340, vol=6.880000e+07 assign (segid " " and resid 41 and name HN) (segid " " and resid 40 and name HA) 2.309 0.667 0.667 weight 1.000 ! spec=3D Nnoesy, no=345, id=342, vol=2.490000e+08 assign (segid " " and resid 40 and name HN) (segid " " and resid 41 and name HN) 3.140 1.233 1.233 weight 1.000 ! spec=3D Nnoesy, no=346, id=343, vol=7.080000e+07 assign (segid " " and resid 41 and name HN) (segid " " and resid 41 and name HA) 2.804 0.983 0.983 weight 1.000 ! spec=3D Nnoesy, no=347, id=344, vol=9.360000e+08 assign (segid " " and resid 41 and name HN) (segid " " and resid 41 and name HB2) 2.500 0.781 0.781 weight 1.000 ! spec=3D Nnoesy, no=348, id=345, vol=1.520000e+08 assign (segid " " and resid 41 and name HN) (segid " " and resid 41 and name HG2) 2.930 1.073 1.073 weight 1.000 ! spec=3D Nnoesy, no=349, id=346, vol=6.860000e+07 assign (segid " " and resid 41 and name HN) (segid " " and resid 42 and name HN) 3.316 1.374 1.374 weight 1.000 ! spec=3D Nnoesy, no=350, id=347, vol=2.700000e+07 assign (segid " " and resid 42 and name HN) (segid " " and resid 40 and name HB1) 4.058 2.058 2.058 weight 1.000 ! spec=3D Nnoesy, no=351, id=348, vol=2.490000e+07 assign (segid " " and resid 42 and name HN) (segid " " and resid 41 and name HA) 3.738 1.747 1.747 weight 1.000 ! spec=3D Nnoesy, no=352, id=349, vol=1.520000e+07 assign (segid " " and resid 42 and name HN) (segid " " and resid 42 and name HA) 3.233 1.306 1.306 weight 1.000 ! spec=3D Nnoesy, no=354, id=351, vol=4.300000e+07 assign (segid " " and resid 42 and name HN) (segid " " and resid 42 and name HB2) 2.738 0.937 0.937 weight 1.000 ! spec=3D Nnoesy, no=355, id=352, vol=1.190000e+08 assign (segid " " and resid 42 and name HN) (segid " " and resid 42 and name HG1) 3.463 1.499 1.499 weight 1.000 ! spec=3D Nnoesy, no=356, id=353, vol=2.800000e+07 assign (segid " " and resid 43 and name HN) (segid " " and resid 40 and name HB1) 2.986 1.115 1.115 weight 1.000 ! spec=3D Nnoesy, no=358, id=355, vol=5.190000e+07 assign (segid " " and resid 43 and name HN) (segid " " and resid 41 and name HA) 3.161 1.249 1.249 weight 1.000 ! spec=3D Nnoesy, no=359, id=356, vol=3.750000e+07 assign (segid " " and resid 43 and name HN) (segid " " and resid 41 and name HN) 4.164 2.167 2.167 weight 1.000 ! spec=3D Nnoesy, no=360, id=357, vol=6.000000e+07 assign (segid " " and resid 43 and name HN) (segid " " and resid 42 and name HA) 3.126 1.221 1.221 weight 1.000 ! spec=3D Nnoesy, no=361, id=358, vol=3.430000e+07 assign (segid " " and resid 42 and name HN) (segid " " and resid 43 and name HN) 2.950 1.088 1.088 weight 1.000 ! spec=3D Nnoesy, no=362, id=359, vol=6.230000e+07 assign (segid " " and resid 43 and name HN) (segid " " and resid 43 and name HA) 2.841 1.009 1.009 weight 1.000 ! spec=3D Nnoesy, no=363, id=360, vol=6.470000e+07 assign (segid " " and resid 43 and name HN) (segid " " and resid 43 and name HB2) 2.776 0.963 0.963 weight 1.000 ! spec=3D Nnoesy, no=364, id=361, vol=3.220000e+08 assign (segid " " and resid 43 and name HN) (segid " " and resid 43 and name HB1) 2.656 0.882 0.882 weight 1.000 ! spec=3D Nnoesy, no=365, id=362, vol=3.590000e+08 assign (segid " " and resid 43 and name HN) (segid " " and resid 44 and name HN) 2.395 0.717 0.717 weight 1.000 ! spec=3D Nnoesy, no=366, id=363, vol=1.790000e+08 assign (segid " " and resid 44 and name HN) (segid " " and resid 20 and name HB1) 4.036 2.036 2.036 weight 1.000 ! spec=3D Nnoesy, no=368, id=365, vol=4.550000e+07 assign (segid " " and resid 44 and name HN) (segid " " and resid 40 and name HB1) 3.595 1.616 1.616 weight 1.000 ! spec=3D Nnoesy, no=369, id=366, vol=2.310000e+07 assign (segid " " and resid 44 and name HN) (segid " " and resid 42 and name HA) 3.785 1.791 1.791 weight 1.000 ! spec=3D Nnoesy, no=370, id=367, vol=2.810000e+07 assign (segid " " and resid 44 and name HN) (segid " " and resid 42 and name HN) 4.012 2.012 2.012 weight 1.000 ! spec=3D Nnoesy, no=371, id=368, vol=1.210000e+07 assign (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HA) 3.213 1.290 1.290 weight 1.000 ! spec=3D Nnoesy, no=372, id=369, vol=3.860000e+07 assign (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HB2) 3.489 1.522 1.522 weight 1.000 ! spec=3D Nnoesy, no=373, id=370, vol=1.250000e+08 assign (segid " " and resid 44 and name HN) (segid " " and resid 43 and name HB1) 3.341 1.395 1.395 weight 1.000 ! spec=3D Nnoesy, no=374, id=371, vol=1.170000e+08 assign (segid " " and resid 44 and name HN) (segid " " and resid 44 and name HA) 2.320 0.673 0.673 weight 1.000 ! spec=3D Nnoesy, no=376, id=373, vol=2.330000e+08 assign (segid " " and resid 44 and name HN) (segid " " and resid 44 and name HB2) 3.112 1.210 1.210 weight 1.000 ! spec=3D Nnoesy, no=377, id=374, vol=5.110000e+08 assign (segid " " and resid 44 and name HN) (segid " " and resid 44 and name HB1) 3.072 1.179 1.179 weight 1.000 ! spec=3D Nnoesy, no=378, id=375, vol=4.650000e+07 assign (segid " " and resid 45 and name HN) (segid " " and resid 14 and name HD11) 3.377 1.425 1.425 weight 1.000 ! spec=3D Nnoesy, no=380, id=377, vol=3.040000e+07 assign (segid " " and resid 45 and name HN) (segid " " and resid 40 and name HB1) 2.863 1.024 1.024 weight 1.000 ! spec=3D Nnoesy, no=382, id=379, vol=7.770000e+07 assign (segid " " and resid 40 and name HN) (segid " " and resid 45 and name HN) 3.331 1.387 1.387 weight 1.000 ! spec=3D Nnoesy, no=383, id=380, vol=3.140000e+07 assign (segid " " and resid 45 and name HN) (segid " " and resid 43 and name HB2) 3.338 1.393 1.393 weight 1.000 ! spec=3D Nnoesy, no=384, id=381, vol=5.770000e+07 assign (segid " " and resid 45 and name HN) (segid " " and resid 43 and name HB1) 3.123 1.219 1.219 weight 1.000 ! spec=3D Nnoesy, no=385, id=382, vol=4.720000e+07 assign (segid " " and resid 43 and name HN) (segid " " and resid 45 and name HN) 3.301 1.362 1.362 weight 1.000 ! spec=3D Nnoesy, no=386, id=383, vol=3.560000e+07 assign (segid " " and resid 45 and name HN) (segid " " and resid 44 and name HA) 2.466 0.760 0.760 weight 1.000 ! spec=3D Nnoesy, no=387, id=384, vol=1.670000e+08 assign (segid " " and resid 45 and name HN) (segid " " and resid 44 and name HB2) 3.527 1.555 1.555 weight 1.000 ! spec=3D Nnoesy, no=388, id=385, vol=4.120000e+08 assign (segid " " and resid 45 and name HN) (segid " " and resid 44 and name HB1) 3.548 1.573 1.573 weight 1.000 ! spec=3D Nnoesy, no=389, id=386, vol=1.940000e+07 assign (segid " " and resid 44 and name HN) (segid " " and resid 45 and name HN) 2.687 0.902 0.902 weight 1.000 ! spec=3D Nnoesy, no=390, id=387, vol=9.290000e+07 assign (segid " " and resid 45 and name HN) (segid " " and resid 45 and name HA) 2.859 1.022 1.022 weight 1.000 ! spec=3D Nnoesy, no=391, id=388, vol=6.980000e+07 assign (segid " " and resid 45 and name HN) (segid " " and resid 45 and name HB2) 2.689 0.904 0.904 weight 1.000 ! spec=3D Nnoesy, no=392, id=389, vol=1.030000e+08 assign (segid " " and resid 45 and name HN) (segid " " and resid 46 and name HN) 3.707 1.718 1.718 weight 1.000 ! spec=3D Nnoesy, no=393, id=390, vol=1.640000e+07 assign (segid " " and resid 46 and name HN) (segid " " and resid 11 and name HA) 3.983 1.983 1.983 weight 1.000 ! spec=3D Nnoesy, no=394, id=391, vol=2.380000e+07 assign (segid " " and resid 46 and name HN) (segid " " and resid 11 and name HG1) 3.731 1.740 1.740 weight 1.000 ! spec=3D Nnoesy, no=395, id=392, vol=1.190000e+09 assign (segid " " and resid 46 and name HN) (segid " " and resid 12 and name HA) 3.258 1.326 1.326 weight 1.000 ! spec=3D Nnoesy, no=396, id=393, vol=4.240000e+07 assign (segid " " and resid 46 and name HN) (segid " " and resid 12 and name HB) 3.313 1.372 1.372 weight 1.000 ! spec=3D Nnoesy, no=397, id=394, vol=4.120000e+07 assign (segid " " and resid 46 and name HN) (segid " " and resid 14 and name HD11) 3.441 1.480 1.480 weight 1.000 ! spec=3D Nnoesy, no=399, id=396, vol=2.060000e+07 assign (segid " " and resid 46 and name HN) (segid " " and resid 14 and name HG12) 3.151 1.241 1.241 weight 1.000 ! spec=3D Nnoesy, no=400, id=397, vol=4.880000e+07 assign (segid " " and resid 14 and name HN) (segid " " and resid 46 and name HN) 3.593 1.614 1.614 weight 1.000 ! spec=3D Nnoesy, no=401, id=398, vol=2.150000e+07 assign (segid " " and resid 46 and name HN) (segid " " and resid 45 and name HA) 2.356 0.694 0.694 weight 1.000 ! spec=3D Nnoesy, no=402, id=399, vol=2.420000e+08 assign (segid " " and resid 46 and name HN) (segid " " and resid 45 and name HB2) 2.672 0.893 0.893 weight 1.000 ! spec=3D Nnoesy, no=403, id=400, vol=1.190000e+08 assign (segid " " and resid 46 and name HN) (segid " " and resid 46 and name HB1) 2.664 0.887 0.887 weight 1.000 ! spec=3D Nnoesy, no=405, id=402, vol=1.160000e+08 assign (segid " " and resid 47 and name HN) (segid " " and resid 38 and name HB2) 3.737 1.746 1.746 weight 1.000 ! spec=3D Nnoesy, no=406, id=403, vol=5.220000e+07 assign (segid " " and resid 47 and name HN) (segid " " and resid 38 and name HD21) 3.349 1.402 1.402 weight 1.000 ! spec=3D Nnoesy, no=407, id=404, vol=2.460000e+08 assign (segid " " and resid 47 and name HN) (segid " " and resid 39 and name HA) 3.488 1.521 1.521 weight 1.000 ! spec=3D Nnoesy, no=409, id=406, vol=3.520000e+07 assign (segid " " and resid 40 and name HN) (segid " " and resid 47 and name HN) 3.893 1.894 1.894 weight 1.000 ! spec=3D Nnoesy, no=411, id=408, vol=2.170000e+07 assign (segid " " and resid 47 and name HN) (segid " " and resid 46 and name HA) 2.424 0.735 0.735 weight 1.000 ! spec=3D Nnoesy, no=412, id=409, vol=2.260000e+08 assign (segid " " and resid 47 and name HN) (segid " " and resid 46 and name HB1) 3.032 1.232 2.968 weight 1.000 ! spec=3D Nnoesy, no=413, id=410, vol=7.060000e+07 assign (segid " " and resid 47 and name HN) (segid " " and resid 47 and name HB2) 2.963 1.097 1.097 weight 1.000 ! spec=3D Nnoesy, no=414, id=411, vol=1.250000e+08 assign (segid " " and resid 47 and name HN) (segid " " and resid 47 and name HD2) 3.191 1.273 1.273 weight 1.000 ! spec=3D Nnoesy, no=415, id=412, vol=4.790000e+07 assign (segid " " and resid 48 and name HN) (segid " " and resid 10 and name HB2) 3.809 1.813 1.813 weight 1.000 ! spec=3D Nnoesy, no=416, id=413, vol=9.710000e+07 assign (segid " " and resid 48 and name HN) (segid " " and resid 11 and name HA) 3.864 1.867 1.867 weight 1.000 ! spec=3D Nnoesy, no=417, id=414, vol=3.170000e+07 assign (segid " " and resid 48 and name HN) (segid " " and resid 47 and name HA) 2.579 0.831 0.831 weight 1.000 ! spec=3D Nnoesy, no=418, id=415, vol=1.830000e+08 assign (segid " " and resid 48 and name HN) (segid " " and resid 47 and name HB1) 3.908 1.909 1.909 weight 1.000 ! spec=3D Nnoesy, no=419, id=416, vol=3.990000e+08 assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HA) 3.547 1.572 1.572 weight 1.000 ! spec=3D Nnoesy, no=420, id=417, vol=4.600000e+07 assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HB) 3.095 1.198 1.198 weight 1.000 ! spec=3D Nnoesy, no=421, id=418, vol=6.590000e+07 assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HG11) 3.693 1.705 1.705 weight 1.000 ! spec=3D Nnoesy, no=422, id=419, vol=5.680000e+08 assign (segid " " and resid 48 and name HN) (segid " " and resid 48 and name HG21) 3.044 1.158 1.158 weight 1.000 ! spec=3D Nnoesy, no=423, id=420, vol=8.710000e+07 assign (segid " " and resid 49 and name HN) (segid " " and resid 36 and name HA) 3.983 1.983 1.983 weight 1.000 ! spec=3D Nnoesy, no=425, id=422, vol=2.010000e+07 assign (segid " " and resid 49 and name HN) (segid " " and resid 36 and name HB1) 3.528 1.556 1.556 weight 1.000 ! spec=3D Nnoesy, no=426, id=423, vol=2.070000e+08 assign (segid " " and resid 49 and name HN) (segid " " and resid 37 and name HA) 3.471 1.506 1.506 weight 1.000 ! spec=3D Nnoesy, no=428, id=425, vol=2.500000e+07 assign (segid " " and resid 49 and name HN) (segid " " and resid 48 and name HA) 2.276 0.648 0.648 weight 1.000 ! spec=3D Nnoesy, no=429, id=426, vol=2.940000e+08 assign (segid " " and resid 49 and name HN) (segid " " and resid 48 and name HB) 3.112 1.211 1.211 weight 1.000 ! spec=3D Nnoesy, no=430, id=427, vol=1.240000e+08 assign (segid " " and resid 49 and name HN) (segid " " and resid 48 and name HG11) 2.833 1.003 1.003 weight 1.000 ! spec=3D Nnoesy, no=431, id=428, vol=4.260000e+09 assign (segid " " and resid 49 and name HN) (segid " " and resid 49 and name HA) 3.081 1.187 1.187 weight 1.000 ! spec=3D Nnoesy, no=432, id=429, vol=7.160000e+07 assign (segid " " and resid 49 and name HN) (segid " " and resid 49 and name HB2) 2.618 0.857 0.857 weight 1.000 ! spec=3D Nnoesy, no=433, id=430, vol=1.860000e+08 assign (segid " " and resid 49 and name HN) (segid " " and resid 49 and name HD1) 3.169 1.256 1.256 weight 1.000 ! spec=3D Nnoesy, no=434, id=431, vol=3.460000e+08 assign (segid " " and resid 49 and name HN) (segid " " and resid 49 and name HG1) 3.574 1.596 1.596 weight 1.000 ! spec=3D Nnoesy, no=435, id=432, vol=6.080000e+09 assign (segid " " and resid 50 and name HN) (segid " " and resid 8 and name HN) 3.827 1.831 1.831 weight 1.000 ! spec=3D Nnoesy, no=437, id=434, vol=8.489000e+00 assign (segid " " and resid 50 and name HN) (segid " " and resid 49 and name HA) 2.539 0.806 0.806 weight 1.000 ! spec=3D Nnoesy, no=438, id=435, vol=2.330000e+08 assign (segid " " and resid 49 and name HN) (segid " " and resid 50 and name HN) 3.853 1.856 1.856 weight 1.000 ! spec=3D Nnoesy, no=439, id=436, vol=8.619000e+00 assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HA) 3.278 1.344 1.344 weight 1.000 ! spec=3D Nnoesy, no=440, id=437, vol=5.440000e+08 assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HB) 3.156 1.245 1.245 weight 1.000 ! spec=3D Nnoesy, no=441, id=438, vol=8.720000e+07 assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HD11) 3.586 1.607 1.607 weight 1.000 ! spec=3D Nnoesy, no=442, id=439, vol=3.190000e+08 assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HG12) 3.227 1.302 1.302 weight 1.000 ! spec=3D Nnoesy, no=443, id=440, vol=1.690000e+09 assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HG11) 2.976 1.107 1.107 weight 1.000 ! spec=3D Nnoesy, no=444, id=441, vol=2.440000e+08 assign (segid " " and resid 50 and name HN) (segid " " and resid 50 and name HG21) 3.229 1.303 1.303 weight 1.000 ! spec=3D Nnoesy, no=445, id=442, vol=2.480000e+08 assign (segid " " and resid 51 and name HN) (segid " " and resid 33 and name HA1) 3.724 1.734 1.734 weight 1.000 ! spec=3D Nnoesy, no=446, id=443, vol=1.960000e+07 assign (segid " " and resid 51 and name HN) (segid " " and resid 34 and name HA) 3.375 1.424 1.424 weight 1.000 ! spec=3D Nnoesy, no=447, id=444, vol=5.670000e+07 assign (segid " " and resid 51 and name HN) (segid " " and resid 35 and name HG2) 3.287 1.350 1.350 weight 1.000 ! spec=3D Nnoesy, no=448, id=445, vol=5.940000e+07 assign (segid " " and resid 51 and name HN) (segid " " and resid 35 and name HN) 3.916 1.917 1.917 weight 1.000 ! spec=3D Nnoesy, no=449, id=446, vol=9.004000e+00 assign (segid " " and resid 51 and name HN) (segid " " and resid 50 and name HA) 2.508 0.786 0.786 weight 1.000 ! spec=3D Nnoesy, no=450, id=447, vol=1.710000e+08 assign (segid " " and resid 51 and name HN) (segid " " and resid 50 and name HB) 2.766 0.957 0.957 weight 1.000 ! spec=3D Nnoesy, no=451, id=448, vol=1.270000e+08 assign (segid " " and resid 51 and name HN) (segid " " and resid 50 and name HD11) 3.607 1.626 1.626 weight 1.000 ! spec=3D Nnoesy, no=452, id=449, vol=2.090000e+07 assign (segid " " and resid 51 and name HN) (segid " " and resid 50 and name HG11) 3.427 1.468 1.468 weight 1.000 ! spec=3D Nnoesy, no=453, id=450, vol=1.880000e+09 assign (segid " " and resid 51 and name HN) (segid " " and resid 50 and name HG21) 3.272 1.338 1.338 weight 1.000 ! spec=3D Nnoesy, no=454, id=451, vol=1.020000e+09 assign (segid " " and resid 51 and name HN) (segid " " and resid 51 and name HB2) 2.770 0.959 0.959 weight 1.000 ! spec=3D Nnoesy, no=455, id=452, vol=1.140000e+08 assign (segid " " and resid 51 and name HN) (segid " " and resid 51 and name HB1) 2.831 1.002 1.002 weight 1.000 ! spec=3D Nnoesy, no=456, id=453, vol=9.630000e+07 assign (segid " " and resid 51 and name HN) (segid " " and resid 55 and name HG21) 3.361 1.412 1.412 weight 1.000 ! spec=3D Nnoesy, no=457, id=454, vol=3.620000e+07 assign (segid " " and resid 52 and name HN) (segid " " and resid 6 and name HB2) 3.789 1.794 1.794 weight 1.000 ! spec=3D Nnoesy, no=458, id=455, vol=1.360000e+07 assign (segid " " and resid 52 and name HN) (segid " " and resid 7 and name HG11) 3.635 1.652 1.652 weight 1.000 ! spec=3D Nnoesy, no=459, id=456, vol=1.490000e+07 assign (segid " " and resid 52 and name HN) (segid " " and resid 50 and name HG12) 3.599 1.619 1.619 weight 1.000 ! spec=3D Nnoesy, no=460, id=457, vol=2.520000e+07 assign (segid " " and resid 52 and name HN) (segid " " and resid 51 and name HA) 2.416 0.730 0.730 weight 1.000 ! spec=3D Nnoesy, no=461, id=458, vol=1.820000e+08 assign (segid " " and resid 52 and name HN) (segid " " and resid 51 and name HB2) 3.767 1.774 1.774 weight 1.000 ! spec=3D Nnoesy, no=462, id=459, vol=1.660000e+07 assign (segid " " and resid 52 and name HN) (segid " " and resid 51 and name HB1) 3.673 1.686 1.686 weight 1.000 ! spec=3D Nnoesy, no=463, id=460, vol=2.090000e+07 assign (segid " " and resid 52 and name HN) (segid " " and resid 52 and name HA) 2.806 0.984 0.984 weight 1.000 ! spec=3D Nnoesy, no=464, id=461, vol=7.240000e+07 assign (segid " " and resid 52 and name HN) (segid " " and resid 52 and name HB2) 3.043 1.157 1.157 weight 1.000 ! spec=3D Nnoesy, no=465, id=462, vol=4.020000e+07 assign (segid " " and resid 52 and name HN) (segid " " and resid 52 and name HB1) 2.911 1.060 1.060 weight 1.000 ! spec=3D Nnoesy, no=466, id=463, vol=6.110000e+07 assign (segid " " and resid 52 and name HN) (segid " " and resid 54 and name HN) 3.948 1.949 1.949 weight 1.000 ! spec=3D Nnoesy, no=467, id=464, vol=7.690000e+06 assign (segid " " and resid 53 and name HN) (segid " " and resid 6 and name HB2) 3.801 1.806 1.806 weight 1.000 ! spec=3D Nnoesy, no=468, id=465, vol=6.170000e+07 assign (segid " " and resid 53 and name HN) (segid " " and resid 51 and name HA) 3.361 1.412 1.412 weight 1.000 ! spec=3D Nnoesy, no=469, id=466, vol=2.820000e+07 assign (segid " " and resid 53 and name HN) (segid " " and resid 51 and name HB2) 3.914 1.915 1.915 weight 1.000 ! spec=3D Nnoesy, no=470, id=467, vol=4.810000e+08 assign (segid " " and resid 53 and name HN) (segid " " and resid 52 and name HA) 3.158 1.247 1.247 weight 1.000 ! spec=3D Nnoesy, no=471, id=468, vol=3.240000e+07 assign (segid " " and resid 53 and name HN) (segid " " and resid 52 and name HB2) 3.396 1.441 1.441 weight 1.000 ! spec=3D Nnoesy, no=472, id=469, vol=2.560000e+07 assign (segid " " and resid 53 and name HN) (segid " " and resid 52 and name HB1) 3.860 1.863 1.863 weight 1.000 ! spec=3D Nnoesy, no=473, id=470, vol=1.780000e+07 assign (segid " " and resid 53 and name HN) (segid " " and resid 53 and name HA) 2.806 0.984 0.984 weight 1.000 ! spec=3D Nnoesy, no=474, id=471, vol=7.110000e+07 assign (segid " " and resid 53 and name HN) (segid " " and resid 53 and name HB2) 2.623 0.860 0.860 weight 1.000 ! spec=3D Nnoesy, no=475, id=472, vol=2.160000e+08 assign (segid " " and resid 53 and name HN) (segid " " and resid 53 and name HB1) 2.941 1.081 1.081 weight 1.000 ! spec=3D Nnoesy, no=476, id=473, vol=3.230000e+08 assign (segid " " and resid 53 and name HN) (segid " " and resid 53 and name HD2) 3.664 1.678 1.678 weight 1.000 ! spec=3D Nnoesy, no=477, id=474, vol=1.460000e+07 assign (segid " " and resid 53 and name HN) (segid " " and resid 53 and name HG2) 2.917 1.064 1.064 weight 1.000 ! spec=3D Nnoesy, no=478, id=475, vol=9.280000e+07 assign (segid " " and resid 53 and name HN) (segid " " and resid 54 and name HG11) 3.358 1.409 1.409 weight 1.000 ! spec=3D Nnoesy, no=479, id=476, vol=3.200000e+07 assign (segid " " and resid 53 and name HN) (segid " " and resid 54 and name HN) 2.448 0.749 0.749 weight 1.000 ! spec=3D Nnoesy, no=480, id=477, vol=1.460000e+08 assign (segid " " and resid 53 and name HN) (segid " " and resid 55 and name HN) 3.440 1.479 1.479 weight 1.000 ! spec=3D Nnoesy, no=481, id=478, vol=2.270000e+07 assign (segid " " and resid 54 and name HN) (segid " " and resid 51 and name HB2) 3.523 1.551 1.551 weight 1.000 ! spec=3D Nnoesy, no=482, id=479, vol=3.680000e+07 assign (segid " " and resid 54 and name HN) (segid " " and resid 51 and name HB1) 3.949 1.950 1.950 weight 1.000 ! spec=3D Nnoesy, no=483, id=480, vol=2.730000e+09 assign (segid " " and resid 54 and name HN) (segid " " and resid 52 and name HA) 3.442 1.481 1.481 weight 1.000 ! spec=3D Nnoesy, no=484, id=481, vol=2.840000e+09 assign (segid " " and resid 54 and name HN) (segid " " and resid 53 and name HA) 3.159 1.247 1.247 weight 1.000 ! spec=3D Nnoesy, no=485, id=482, vol=4.760000e+07 assign (segid " " and resid 54 and name HN) (segid " " and resid 53 and name HB2) 3.160 1.248 1.248 weight 1.000 ! spec=3D Nnoesy, no=486, id=483, vol=1.110000e+10 assign (segid " " and resid 54 and name HN) (segid " " and resid 54 and name HA) 2.798 0.979 0.979 weight 1.000 ! spec=3D Nnoesy, no=488, id=485, vol=8.660000e+07 assign (segid " " and resid 54 and name HN) (segid " " and resid 54 and name HB) 2.587 0.836 0.836 weight 1.000 ! spec=3D Nnoesy, no=489, id=486, vol=1.420000e+08 assign (segid " " and resid 54 and name HN) (segid " " and resid 54 and name HG11) 2.585 0.835 0.835 weight 1.000 ! spec=3D Nnoesy, no=490, id=487, vol=1.850000e+08 assign (segid " " and resid 54 and name HN) (segid " " and resid 55 and name HG21) 3.612 1.631 1.631 weight 1.000 ! spec=3D Nnoesy, no=491, id=488, vol=2.340000e+07 assign (segid " " and resid 55 and name HN) (segid " " and resid 51 and name HB2) 4.066 2.067 2.067 weight 1.000 ! spec=3D Nnoesy, no=493, id=490, vol=5.700000e+07 assign (segid " " and resid 55 and name HN) (segid " " and resid 54 and name HA) 2.699 0.910 0.910 weight 1.000 ! spec=3D Nnoesy, no=495, id=492, vol=1.200000e+08 assign (segid " " and resid 55 and name HN) (segid " " and resid 54 and name HB) 2.973 1.105 1.105 weight 1.000 ! spec=3D Nnoesy, no=496, id=493, vol=6.360000e+07 assign (segid " " and resid 55 and name HN) (segid " " and resid 54 and name HG11) 3.074 1.182 1.182 weight 1.000 ! spec=3D Nnoesy, no=497, id=494, vol=5.990000e+07 assign (segid " " and resid 54 and name HN) (segid " " and resid 55 and name HN) 2.431 0.739 0.739 weight 1.000 ! spec=3D Nnoesy, no=498, id=495, vol=1.800000e+08 assign (segid " " and resid 55 and name HN) (segid " " and resid 55 and name HA) 2.825 0.998 0.998 weight 1.000 ! spec=3D Nnoesy, no=499, id=496, vol=1.340000e+08 assign (segid " " and resid 55 and name HN) (segid " " and resid 55 and name HG21) 2.720 0.925 0.925 weight 1.000 ! spec=3D Nnoesy, no=500, id=497, vol=8.610000e+07 assign (segid " " and resid 55 and name HN) (segid " " and resid 56 and name HN) 3.290 1.353 1.353 weight 1.000 ! spec=3D Nnoesy, no=501, id=498, vol=9.690000e+07 assign (segid " " and resid 56 and name HD21) (segid " " and resid 56 and name HA) 4.089 2.090 2.090 weight 1.000 ! spec=3D Nnoesy, no=502, id=499, vol=1.750000e+07 assign (segid " " and resid 56 and name HD21) (segid " " and resid 56 and name HB2) 2.994 1.120 1.120 weight 1.000 ! spec=3D Nnoesy, no=503, id=500, vol=1.150000e+08 assign (segid " " and resid 56 and name HD21) (segid " " and resid 59 and name HB2) 4.149 2.152 2.152 weight 1.000 ! spec=3D Nnoesy, no=504, id=501, vol=8.260000e+06 assign (segid " " and resid 56 and name HD21) (segid " " and resid 59 and name HG1) 3.828 1.831 1.831 weight 1.000 ! spec=3D Nnoesy, no=505, id=502, vol=1.870000e+07 assign (segid " " and resid 56 and name HD22) (segid " " and resid 56 and name HA) 4.231 2.238 2.238 weight 1.000 ! spec=3D Nnoesy, no=506, id=503, vol=2.350000e+07 assign (segid " " and resid 56 and name HD22) (segid " " and resid 56 and name HB2) 3.118 1.216 1.216 weight 1.000 ! spec=3D Nnoesy, no=507, id=504, vol=5.520000e+07 assign (segid " " and resid 56 and name HD22) (segid " " and resid 59 and name HB2) 3.987 1.987 1.987 weight 1.000 ! spec=3D Nnoesy, no=508, id=505, vol=8.870000e+06 assign (segid " " and resid 56 and name HD22) (segid " " and resid 59 and name HG1) 3.739 1.748 1.748 weight 1.000 ! spec=3D Nnoesy, no=509, id=506, vol=2.660000e+07 assign (segid " " and resid 56 and name HN) (segid " " and resid 50 and name HD11) 3.841 1.844 1.844 weight 1.000 ! spec=3D Nnoesy, no=510, id=507, vol=1.960000e+07 assign (segid " " and resid 56 and name HN) (segid " " and resid 55 and name HA) 2.786 0.970 0.970 weight 1.000 ! spec=3D Nnoesy, no=511, id=508, vol=9.000000e+07 assign (segid " " and resid 56 and name HN) (segid " " and resid 55 and name HB) 3.503 1.534 1.534 weight 1.000 ! spec=3D Nnoesy, no=512, id=509, vol=2.740000e+07 assign (segid " " and resid 56 and name HN) (segid " " and resid 55 and name HG21) 3.050 1.163 1.163 weight 1.000 ! spec=3D Nnoesy, no=513, id=510, vol=8.030000e+07 assign (segid " " and resid 56 and name HN) (segid " " and resid 56 and name HA) 2.941 1.081 1.081 weight 1.000 ! spec=3D Nnoesy, no=515, id=512, vol=2.450000e+08 assign (segid " " and resid 56 and name HN) (segid " " and resid 56 and name HB2) 3.266 1.333 1.333 weight 1.000 ! spec=3D Nnoesy, no=516, id=513, vol=6.590000e+07 assign (segid " " and resid 56 and name HN) (segid " " and resid 59 and name HB2) 3.033 1.150 1.150 weight 1.000 ! spec=3D Nnoesy, no=517, id=514, vol=8.430000e+07 assign (segid " " and resid 56 and name HN) (segid " " and resid 59 and name HN) 3.597 1.617 1.617 weight 1.000 ! spec=3D Nnoesy, no=518, id=515, vol=2.700000e+07 assign (segid " " and resid 57 and name HN) (segid " " and resid 50 and name HD11) 3.603 1.623 1.623 weight 1.000 ! spec=3D Nnoesy, no=520, id=517, vol=1.730000e+07 assign (segid " " and resid 57 and name HN) (segid " " and resid 50 and name HG11) 3.931 1.931 1.931 weight 1.000 ! spec=3D Nnoesy, no=521, id=518, vol=1.800000e+08 assign (segid " " and resid 57 and name HN) (segid " " and resid 50 and name HG21) 3.702 1.902 2.298 weight 1.000 ! spec=3D Nnoesy, no=522, id=519, vol=1.080000e+08 assign (segid " " and resid 57 and name HN) (segid " " and resid 56 and name HA) 2.707 0.916 0.916 weight 1.000 ! spec=3D Nnoesy, no=523, id=520, vol=1.140000e+08 assign (segid " " and resid 57 and name HN) (segid " " and resid 56 and name HB1) 2.906 1.056 1.056 weight 1.000 ! spec=3D Nnoesy, no=524, id=521, vol=9.220000e+07 assign (segid " " and resid 57 and name HN) (segid " " and resid 57 and name HA) 3.035 1.151 1.151 weight 1.000 ! spec=3D Nnoesy, no=525, id=522, vol=4.500000e+07 assign (segid " " and resid 57 and name HN) (segid " " and resid 57 and name HB2) 2.841 1.009 1.009 weight 1.000 ! spec=3D Nnoesy, no=526, id=523, vol=7.950000e+07 assign (segid " " and resid 57 and name HN) (segid " " and resid 57 and name HB1) 2.880 1.037 1.037 weight 1.000 ! spec=3D Nnoesy, no=527, id=524, vol=2.550000e+08 assign (segid " " and resid 57 and name HN) (segid " " and resid 57 and name HG2) 3.597 1.617 1.617 weight 1.000 ! spec=3D Nnoesy, no=528, id=525, vol=9.120000e+07 assign (segid " " and resid 57 and name HN) (segid " " and resid 57 and name HG1) 3.624 1.642 1.642 weight 1.000 ! spec=3D Nnoesy, no=529, id=526, vol=7.780000e+07 assign (segid " " and resid 58 and name HN) (segid " " and resid 56 and name HA) 3.429 1.469 1.469 weight 1.000 ! spec=3D Nnoesy, no=531, id=528, vol=4.765000e+00 assign (segid " " and resid 58 and name HN) (segid " " and resid 56 and name HB1) 3.076 1.183 1.183 weight 1.000 ! spec=3D Nnoesy, no=532, id=529, vol=6.130000e+07 assign (segid " " and resid 58 and name HN) (segid " " and resid 56 and name HD22) 3.669 1.683 1.683 weight 1.000 ! spec=3D Nnoesy, no=533, id=530, vol=3.290000e+07 assign (segid " " and resid 58 and name HN) (segid " " and resid 57 and name HA) 3.010 1.132 1.132 weight 1.000 ! spec=3D Nnoesy, no=534, id=531, vol=5.310000e+07 assign (segid " " and resid 58 and name HN) (segid " " and resid 57 and name HB2) 3.026 1.145 1.145 weight 1.000 ! spec=3D Nnoesy, no=535, id=532, vol=3.970000e+07 assign (segid " " and resid 58 and name HN) (segid " " and resid 57 and name HB1) 2.712 0.919 0.919 weight 1.000 ! spec=3D Nnoesy, no=536, id=533, vol=7.140000e+07 assign (segid " " and resid 58 and name HN) (segid " " and resid 57 and name HG2) 3.321 1.378 1.378 weight 1.000 ! spec=3D Nnoesy, no=537, id=534, vol=2.830000e+07 assign (segid " " and resid 58 and name HN) (segid " " and resid 57 and name HG1) 3.437 1.476 1.476 weight 1.000 ! spec=3D Nnoesy, no=538, id=535, vol=2.520000e+07 assign (segid " " and resid 57 and name HN) (segid " " and resid 58 and name HN) 2.832 1.003 1.003 weight 1.000 ! spec=3D Nnoesy, no=539, id=536, vol=5.260000e+07 assign (segid " " and resid 58 and name HN) (segid " " and resid 58 and name HA) 2.557 0.818 0.818 weight 1.000 ! spec=3D Nnoesy, no=540, id=537, vol=1.030000e+08 assign (segid " " and resid 58 and name HN) (segid " " and resid 58 and name HB2) 2.203 0.607 0.607 weight 1.000 ! spec=3D Nnoesy, no=541, id=538, vol=3.480000e+08 assign (segid " " and resid 58 and name HN) (segid " " and resid 58 and name HD1) 3.131 1.331 2.869 weight 1.000 ! spec=3D Nnoesy, no=542, id=539, vol=7.278000e+00 assign (segid " " and resid 59 and name HN) (segid " " and resid 59 and name HA) 2.691 0.905 0.905 weight 1.000 ! spec=3D Nnoesy, no=544, id=541, vol=6.000000e+08 assign (segid " " and resid 59 and name HN) (segid " " and resid 59 and name HB2) 2.509 0.787 0.787 weight 1.000 ! spec=3D Nnoesy, no=545, id=542, vol=2.520000e+08 assign (segid " " and resid 59 and name HN) (segid " " and resid 59 and name HG1) 2.775 0.963 0.963 weight 1.000 ! spec=3D Nnoesy, no=546, id=543, vol=1.230000e+08 assign (segid " " and resid 59 and name HN) (segid " " and resid 60 and name HN) 2.639 0.871 0.871 weight 1.000 ! spec=3D Nnoesy, no=547, id=544, vol=7.748000e+00 assign (segid " " and resid 56 and name HN) (segid " " and resid 60 and name HN) 3.643 1.659 1.659 weight 1.000 ! spec=3D Nnoesy, no=548, id=545, vol=1.320000e+07 assign (segid " " and resid 60 and name HN) (segid " " and resid 58 and name HA) 4.099 2.101 2.101 weight 1.000 ! spec=3D Nnoesy, no=549, id=546, vol=3.880000e+07 assign (segid " " and resid 60 and name HN) (segid " " and resid 59 and name HA) 3.208 1.286 1.286 weight 1.000 ! spec=3D Nnoesy, no=550, id=547, vol=2.170000e+09 assign (segid " " and resid 60 and name HN) (segid " " and resid 59 and name HB2) 2.785 0.970 0.970 weight 1.000 ! spec=3D Nnoesy, no=551, id=548, vol=1.160000e+09 assign (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HA) 2.549 0.812 0.812 weight 1.000 ! spec=3D Nnoesy, no=553, id=550, vol=1.100000e+08 assign (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HB) 2.339 0.684 0.684 weight 1.000 ! spec=3D Nnoesy, no=554, id=551, vol=5.200000e+08 assign (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HG11) 2.491 0.776 0.776 weight 1.000 ! spec=3D Nnoesy, no=555, id=552, vol=1.590000e+08 assign (segid " " and resid 60 and name HN) (segid " " and resid 60 and name HG21) 2.988 1.188 3.012 weight 1.000 ! spec=3D Nnoesy, no=556, id=553, vol=6.880000e+07 assign (segid " " and resid 60 and name HN) (segid " " and resid 62 and name HN) 3.559 1.583 1.583 weight 1.000 ! spec=3D Nnoesy, no=558, id=555, vol=1.350000e+07 assign (segid " " and resid 61 and name HN) (segid " " and resid 58 and name HA) 3.278 1.344 1.344 weight 1.000 ! spec=3D Nnoesy, no=559, id=556, vol=3.330000e+07 assign (segid " " and resid 61 and name HN) (segid " " and resid 59 and name HN) 3.148 1.239 1.239 weight 1.000 ! spec=3D Nnoesy, no=560, id=557, vol=8.131000e+00 assign (segid " " and resid 61 and name HN) (segid " " and resid 60 and name HG11) 3.383 1.431 1.431 weight 1.000 ! spec=3D Nnoesy, no=561, id=558, vol=3.270000e+07 assign (segid " " and resid 61 and name HN) (segid " " and resid 60 and name HG21) 2.910 1.059 1.059 weight 1.000 ! spec=3D Nnoesy, no=562, id=559, vol=1.100000e+08 assign (segid " " and resid 60 and name HN) (segid " " and resid 61 and name HN) 2.595 0.841 0.841 weight 1.000 ! spec=3D Nnoesy, no=563, id=560, vol=7.747000e+00 assign (segid " " and resid 61 and name HN) (segid " " and resid 61 and name HA) 2.503 0.783 0.783 weight 1.000 ! spec=3D Nnoesy, no=564, id=561, vol=1.170000e+08 assign (segid " " and resid 61 and name HN) (segid " " and resid 61 and name HB2) 2.385 0.711 0.711 weight 1.000 ! spec=3D Nnoesy, no=565, id=562, vol=1.720000e+10 assign (segid " " and resid 61 and name HN) (segid " " and resid 61 and name HB1) 2.336 0.682 0.682 weight 1.000 ! spec=3D Nnoesy, no=566, id=563, vol=7.150000e+08 assign (segid " " and resid 61 and name HN) (segid " " and resid 61 and name HG2) 2.747 0.947 3.253 weight 1.000 ! spec=3D Nnoesy, no=567, id=564, vol=1.100000e+08 assign (segid " " and resid 62 and name HN) (segid " " and resid 61 and name HA) 2.927 1.071 1.071 weight 1.000 ! spec=3D Nnoesy, no=569, id=566, vol=4.420000e+07 assign (segid " " and resid 62 and name HN) (segid " " and resid 61 and name HG2) 3.366 1.417 1.417 weight 1.000 ! spec=3D Nnoesy, no=570, id=567, vol=5.380000e+08 assign (segid " " and resid 61 and name HN) (segid " " and resid 62 and name HN) 2.567 0.824 0.824 weight 1.000 ! spec=3D Nnoesy, no=571, id=568, vol=8.540000e+07 assign (segid " " and resid 62 and name HN) (segid " " and resid 62 and name HA) 2.330 0.679 0.679 weight 1.000 ! spec=3D Nnoesy, no=572, id=569, vol=2.110000e+08 assign (segid " " and resid 62 and name HN) (segid " " and resid 62 and name HB2) 2.115 0.559 0.559 weight 1.000 ! spec=3D Nnoesy, no=573, id=570, vol=1.280000e+09 assign (segid " " and resid 62 and name HN) (segid " " and resid 62 and name HG2) 2.270 0.470 3.730 weight 1.000 ! spec=3D Nnoesy, no=574, id=571, vol=1.290000e+09 assign (segid " " and resid 63 and name HN) (segid " " and resid 60 and name HA) 2.706 0.915 0.915 weight 1.000 ! spec=3D Nnoesy, no=575, id=572, vol=6.250000e+07 assign (segid " " and resid 63 and name HN) (segid " " and resid 61 and name HN) 3.586 1.607 1.607 weight 1.000 ! spec=3D Nnoesy, no=576, id=573, vol=8.070000e+06 assign (segid " " and resid 63 and name HN) (segid " " and resid 62 and name HA) 2.904 1.054 1.054 weight 1.000 ! spec=3D Nnoesy, no=577, id=574, vol=4.820000e+07 assign (segid " " and resid 63 and name HN) (segid " " and resid 62 and name HB2) 2.418 0.731 0.731 weight 1.000 ! spec=3D Nnoesy, no=578, id=575, vol=1.440000e+08 assign (segid " " and resid 63 and name HN) (segid " " and resid 62 and name HG2) 3.002 1.126 1.126 weight 1.000 ! spec=3D Nnoesy, no=579, id=576, vol=5.050000e+09 assign (segid " " and resid 63 and name HN) (segid " " and resid 62 and name HN) 2.438 0.743 0.743 weight 1.000 ! spec=3D Nnoesy, no=580, id=577, vol=7.967000e+00 assign (segid " " and resid 63 and name HN) (segid " " and resid 63 and name HA) 2.484 0.772 0.772 weight 1.000 ! spec=3D Nnoesy, no=581, id=578, vol=1.570000e+08 assign (segid " " and resid 63 and name HN) (segid " " and resid 63 and name HB1) 2.108 0.555 0.555 weight 1.000 ! spec=3D Nnoesy, no=582, id=579, vol=2.330000e+08 assign (segid " " and resid 63 and name HN) (segid " " and resid 64 and name HN) 2.571 0.826 0.826 weight 1.000 ! spec=3D Nnoesy, no=583, id=580, vol=8.220000e+07 assign (segid " " and resid 64 and name HN) (segid " " and resid 61 and name HA) 3.059 1.169 1.169 weight 1.000 ! spec=3D Nnoesy, no=584, id=581, vol=6.240000e+09 assign (segid " " and resid 64 and name HN) (segid " " and resid 63 and name HA) 3.416 1.458 1.458 weight 1.000 ! spec=3D Nnoesy, no=585, id=582, vol=4.030000e+07 assign (segid " " and resid 64 and name HN) (segid " " and resid 63 and name HB1) 2.752 0.947 0.947 weight 1.000 ! spec=3D Nnoesy, no=586, id=583, vol=1.030000e+08 assign (segid " " and resid 64 and name HN) (segid " " and resid 64 and name HA) 2.841 1.009 1.009 weight 1.000 ! spec=3D Nnoesy, no=588, id=585, vol=8.230000e+07 assign (segid " " and resid 64 and name HN) (segid " " and resid 64 and name HB) 2.449 0.750 0.750 weight 1.000 ! spec=3D Nnoesy, no=589, id=586, vol=3.800000e+08 assign (segid " " and resid 64 and name HN) (segid " " and resid 64 and name HD11) 3.009 1.132 1.132 weight 1.000 ! spec=3D Nnoesy, no=590, id=587, vol=7.710000e+09 assign (segid " " and resid 64 and name HN) (segid " " and resid 64 and name HG12) 2.953 1.153 3.047 weight 1.000 ! spec=3D Nnoesy, no=591, id=588, vol=2.180000e+08 assign (segid " " and resid 64 and name HN) (segid " " and resid 64 and name HG11) 2.656 0.882 0.882 weight 1.000 ! spec=3D Nnoesy, no=592, id=589, vol=1.540000e+10 assign (segid " " and resid 64 and name HN) (segid " " and resid 64 and name HG21) 2.957 1.093 1.093 weight 1.000 ! spec=3D Nnoesy, no=593, id=590, vol=2.190000e+08 assign (segid " " and resid 65 and name HN) (segid " " and resid 61 and name HA) 3.575 1.598 1.598 weight 1.000 ! spec=3D Nnoesy, no=595, id=592, vol=1.370000e+07 assign (segid " " and resid 65 and name HN) (segid " " and resid 63 and name HA) 3.884 1.886 1.886 weight 1.000 ! spec=3D Nnoesy, no=596, id=593, vol=1.280000e+08 assign (segid " " and resid 65 and name HN) (segid " " and resid 64 and name HA) 3.314 1.372 1.372 weight 1.000 ! spec=3D Nnoesy, no=597, id=594, vol=2.060000e+07 assign (segid " " and resid 65 and name HN) (segid " " and resid 64 and name HD11) 3.365 1.565 2.635 weight 1.000 ! spec=3D Nnoesy, no=598, id=595, vol=1.370000e+08 assign (segid " " and resid 65 and name HN) (segid " " and resid 64 and name HG12) 3.871 1.873 1.873 weight 1.000 ! spec=3D Nnoesy, no=599, id=596, vol=7.130000e+06 assign (segid " " and resid 65 and name HN) (segid " " and resid 64 and name HG21) 2.959 1.094 1.094 weight 1.000 ! spec=3D Nnoesy, no=600, id=597, vol=9.920000e+07 assign (segid " " and resid 64 and name HN) (segid " " and resid 65 and name HN) 2.716 0.922 0.922 weight 1.000 ! spec=3D Nnoesy, no=601, id=598, vol=7.940000e+07 assign (segid " " and resid 65 and name HN) (segid " " and resid 65 and name HA) 2.521 0.794 0.794 weight 1.000 ! spec=3D Nnoesy, no=602, id=599, vol=1.130000e+08 assign (segid " " and resid 65 and name HN) (segid " " and resid 65 and name HB2) 2.321 0.521 3.679 weight 1.000 ! spec=3D Nnoesy, no=603, id=600, vol=3.760000e+08 assign (segid " " and resid 65 and name HN) (segid " " and resid 65 and name HD2) 3.774 1.781 1.781 weight 1.000 ! spec=3D Nnoesy, no=604, id=601, vol=1.270000e+07 assign (segid " " and resid 65 and name HN) (segid " " and resid 65 and name HG1) 3.208 1.408 2.792 weight 1.000 ! spec=3D Nnoesy, no=605, id=602, vol=4.980000e+07 assign (segid " " and resid 66 and name HN) (segid " " and resid 65 and name HB2) 2.597 0.843 0.843 weight 1.000 ! spec=3D Nnoesy, no=606, id=603, vol=5.890000e+09 assign (segid " " and resid 66 and name HN) (segid " " and resid 66 and name HA) 2.471 0.763 0.763 weight 1.000 ! spec=3D Nnoesy, no=607, id=604, vol=1.800000e+08 assign (segid " " and resid 66 and name HN) (segid " " and resid 66 and name HB2) 2.231 0.622 0.622 weight 1.000 ! spec=3D Nnoesy, no=608, id=605, vol=1.470000e+09 assign (segid " " and resid 66 and name HN) (segid " " and resid 66 and name HG2) 2.862 1.024 1.024 weight 1.000 ! spec=3D Nnoesy, no=609, id=606, vol=1.970000e+08 assign (segid " " and resid 66 and name HN) (segid " " and resid 66 and name HG1) 3.081 1.187 1.187 weight 1.000 ! spec=3D Nnoesy, no=610, id=607, vol=2.180000e+08 assign (segid " " and resid 67 and name HN) (segid " " and resid 64 and name HA) 2.963 1.097 1.097 weight 1.000 ! spec=3D Nnoesy, no=611, id=608, vol=3.550000e+07 assign (segid " " and resid 67 and name HN) (segid " " and resid 65 and name HA) 3.471 1.506 1.506 weight 1.000 ! spec=3D Nnoesy, no=612, id=609, vol=2.830000e+09 assign (segid " " and resid 67 and name HN) (segid " " and resid 66 and name HB2) 2.589 0.838 0.838 weight 1.000 ! spec=3D Nnoesy, no=613, id=610, vol=9.680000e+07 assign (segid " " and resid 67 and name HN) (segid " " and resid 66 and name HG2) 3.771 1.778 1.778 weight 1.000 ! spec=3D Nnoesy, no=614, id=611, vol=1.350000e+09 assign (segid " " and resid 67 and name HN) (segid " " and resid 66 and name HG1) 3.784 1.790 1.790 weight 1.000 ! spec=3D Nnoesy, no=615, id=612, vol=8.720000e+08 assign (segid " " and resid 67 and name HN) (segid " " and resid 66 and name HN) 2.342 0.686 0.686 weight 1.000 ! spec=3D Nnoesy, no=616, id=613, vol=7.977000e+00 assign (segid " " and resid 67 and name HN) (segid " " and resid 67 and name HA) 2.478 0.768 0.768 weight 1.000 ! spec=3D Nnoesy, no=617, id=614, vol=1.950000e+08 assign (segid " " and resid 67 and name HN) (segid " " and resid 67 and name HB1) 2.117 0.560 0.560 weight 1.000 ! spec=3D Nnoesy, no=618, id=615, vol=2.250000e+08 assign (segid " " and resid 68 and name HN) (segid " " and resid 67 and name HB1) 2.442 0.746 0.746 weight 1.000 ! spec=3D Nnoesy, no=619, id=616, vol=1.730000e+08 assign (segid " " and resid 68 and name HN) (segid " " and resid 68 and name HA) 2.526 0.798 0.798 weight 1.000 ! spec=3D Nnoesy, no=620, id=617, vol=1.550000e+08 assign (segid " " and resid 68 and name HN) (segid " " and resid 68 and name HB2) 2.203 0.607 0.607 weight 1.000 ! spec=3D Nnoesy, no=621, id=618, vol=2.760000e+08 assign (segid " " and resid 68 and name HN) (segid " " and resid 68 and name HD11) 2.823 0.996 0.996 weight 1.000 ! spec=3D Nnoesy, no=622, id=619, vol=1.120000e+08 assign (segid " " and resid 69 and name HN) (segid " " and resid 68 and name HB2) 2.852 1.016 1.016 weight 1.000 ! spec=3D Nnoesy, no=623, id=620, vol=7.430000e+07 assign (segid " " and resid 69 and name HN) (segid " " and resid 68 and name HB1) 3.093 1.196 1.196 weight 1.000 ! spec=3D Nnoesy, no=624, id=621, vol=5.060000e+07 assign (segid " " and resid 69 and name HN) (segid " " and resid 68 and name HD11) 3.481 1.515 1.515 weight 1.000 ! spec=3D Nnoesy, no=625, id=622, vol=3.230000e+07 assign (segid " " and resid 69 and name HN) (segid " " and resid 69 and name HA) 2.378 0.707 0.707 weight 1.000 ! spec=3D Nnoesy, no=626, id=623, vol=1.700000e+08 assign (segid " " and resid 69 and name HN) (segid " " and resid 69 and name HB2) 2.300 0.662 0.662 weight 1.000 ! spec=3D Nnoesy, no=627, id=624, vol=2.080000e+08 assign (segid " " and resid 69 and name HN) (segid " " and resid 69 and name HG2) 3.258 1.327 1.327 weight 1.000 ! spec=3D Nnoesy, no=628, id=625, vol=1.180000e+08 assign (segid " " and resid 69 and name HN) (segid " " and resid 69 and name HG1) 3.084 1.189 1.189 weight 1.000 ! spec=3D Nnoesy, no=629, id=626, vol=1.180000e+08