NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
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599103 |
2nay   |
25954 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
assign (segid " " and resid 1 and name HA2) (segid " " and resid 3 and name HN) 3.520 1.548 1.548 weight 1.000 ! spec=H2O NOESY, no=3, id=0, vol=7.070000e+06
assign (segid " " and resid 1 and name HA1) (segid " " and resid 3 and name HN) 3.232 1.305 1.305 weight 1.000 ! spec=H2O NOESY, no=4, id=1, vol=1.180000e+07
assign (segid " " and resid 2 and name HN) (segid " " and resid 3 and name HN) 4.021 2.021 2.021 weight 1.000 ! spec=H2O NOESY, no=6, id=3, vol=3.180000e+06
assign (segid " " and resid 2 and name HN) (segid " " and resid 2 and name HA) 2.724 0.927 0.927 weight 1.000 ! spec=H2O NOESY, no=7, id=4, vol=3.290000e+07
assign (segid " " and resid 2 and name HA) (segid " " and resid 8 and name HN) 3.328 1.384 1.384 weight 1.000 ! spec=H2O NOESY, no=8, id=5, vol=9.900000e+06
assign (segid " " and resid 2 and name HA) (segid " " and resid 14 and name HD21) 3.676 1.689 1.689 weight 1.000 ! spec=H2O NOESY, no=9, id=6, vol=5.450000e+06
assign (segid " " and resid 2 and name HB2) (segid " " and resid 2 and name HN) 2.378 0.707 0.707 weight 1.000 ! spec=H2O NOESY, no=10, id=7, vol=7.440000e+07
assign (segid " " and resid 2 and name HB2) (segid " " and resid 2 and name HA) 2.660 0.885 0.885 weight 1.000 ! spec=H2O NOESY, no=11, id=8, vol=3.790000e+07
assign (segid " " and resid 2 and name HB2) (segid " " and resid 6 and name HD1) 4.000 2.000 2.000 weight 1.000 ! spec=H2O NOESY, no=12, id=9, vol=3.280000e+06
assign (segid " " and resid 2 and name HB2) (segid " " and resid 8 and name HN) 2.837 1.006 3.163 weight 1.000 ! spec=H2O NOESY, no=13, id=10, vol=2.580000e+07
assign (segid " " and resid 2 and name HB2) (segid " " and resid 8 and name HB2) 2.601 0.846 0.846 weight 1.000 ! spec=H2O NOESY, no=14, id=11, vol=4.340000e+07
assign (segid " " and resid 2 and name HB2) (segid " " and resid 8 and name HB1) 2.827 0.999 0.999 weight 1.000 ! spec=H2O NOESY, no=15, id=12, vol=2.630000e+07
assign (segid " " and resid 2 and name HB2) (segid " " and resid 14 and name HD21) 2.896 1.048 1.048 weight 1.000 ! spec=H2O NOESY, no=16, id=13, vol=2.280000e+07
assign (segid " " and resid 2 and name HB1) (segid " " and resid 2 and name HN) 2.550 0.813 0.813 weight 1.000 ! spec=H2O NOESY, no=17, id=14, vol=4.890000e+07
assign (segid " " and resid 2 and name HB1) (segid " " and resid 2 and name HA) 2.434 0.741 0.741 weight 1.000 ! spec=H2O NOESY, no=18, id=15, vol=6.460000e+07
assign (segid " " and resid 2 and name HB1) (segid " " and resid 2 and name HB2) 1.824 0.416 0.416 weight 1.000 ! spec=H2O NOESY, no=19, id=16, vol=3.650000e+08
assign (segid " " and resid 2 and name HB1) (segid " " and resid 6 and name HD1) 3.029 1.147 2.971 weight 1.000 ! spec=H2O NOESY, no=20, id=17, vol=1.740000e+07
assign (segid " " and resid 2 and name HB1) (segid " " and resid 8 and name HN) 3.290 1.353 1.353 weight 1.000 ! spec=H2O NOESY, no=21, id=18, vol=1.060000e+07
assign (segid " " and resid 2 and name HB1) (segid " " and resid 8 and name HB2) 2.891 1.045 1.045 weight 1.000 ! spec=H2O NOESY, no=22, id=19, vol=2.300000e+07
assign (segid " " and resid 2 and name HB1) (segid " " and resid 14 and name HD21) 2.774 0.962 0.962 weight 1.000 ! spec=H2O NOESY, no=23, id=20, vol=2.950000e+07
assign (segid " " and resid 3 and name HA) (segid " " and resid 3 and name HN) 2.477 0.767 0.767 weight 1.000 ! spec=H2O NOESY, no=24, id=21, vol=5.820000e+07
assign (segid " " and resid 3 and name HA) (segid " " and resid 15 and name HE22) 2.617 0.856 0.856 weight 1.000 ! spec=H2O NOESY, no=25, id=22, vol=4.180000e+07
assign (segid " " and resid 3 and name HB2) (segid " " and resid 4 and name HN) 3.227 1.302 1.302 weight 1.000 ! spec=H2O NOESY, no=26, id=23, vol=1.190000e+07
assign (segid " " and resid 3 and name HB2) (segid " " and resid 14 and name HD22) 2.887 1.042 1.042 weight 1.000 ! spec=H2O NOESY, no=27, id=24, vol=2.320000e+07
assign (segid " " and resid 3 and name HB1) (segid " " and resid 3 and name HN) 2.288 0.654 0.654 weight 1.000 ! spec=H2O NOESY, no=28, id=25, vol=9.370000e+07
assign (segid " " and resid 3 and name HB1) (segid " " and resid 3 and name HA) 2.805 0.983 0.983 weight 1.000 ! spec=H2O NOESY, no=29, id=26, vol=2.760000e+07
assign (segid " " and resid 4 and name HN) (segid " " and resid 3 and name HN) 2.606 0.849 0.849 weight 1.000 ! spec=H2O NOESY, no=30, id=27, vol=4.290000e+07
assign (segid " " and resid 4 and name HN) (segid " " and resid 15 and name HE22) 2.118 0.561 3.882 weight 1.000 ! spec=H2O NOESY, no=31, id=28, vol=1.490000e+08
assign (segid " " and resid 4 and name HA) (segid " " and resid 4 and name HN) 2.681 0.898 0.898 weight 1.000 ! spec=H2O NOESY, no=32, id=29, vol=3.620000e+07
assign (segid " " and resid 4 and name HA) (segid " " and resid 5 and name HN) 3.535 1.562 1.562 weight 1.000 ! spec=H2O NOESY, no=33, id=30, vol=6.890000e+06
assign (segid " " and resid 4 and name HB2) (segid " " and resid 4 and name HN) 3.020 1.140 1.140 weight 1.000 ! spec=H2O NOESY, no=34, id=31, vol=1.770000e+07
assign (segid " " and resid 4 and name HB2) (segid " " and resid 4 and name HA) 2.891 1.045 1.045 weight 1.000 ! spec=H2O NOESY, no=35, id=32, vol=2.300000e+07
assign (segid " " and resid 4 and name HB1) (segid " " and resid 4 and name HN) 2.287 0.654 0.654 weight 1.000 ! spec=H2O NOESY, no=36, id=33, vol=9.390000e+07
assign (segid " " and resid 4 and name HB1) (segid " " and resid 4 and name HA) 5.146 3.310 3.310 weight 1.000 ! spec=H2O NOESY, no=37, id=34, vol=7.240000e+05
assign (segid " " and resid 5 and name HA) (segid " " and resid 5 and name HN) 2.793 0.975 0.975 weight 1.000 ! spec=H2O NOESY, no=38, id=35, vol=2.830000e+07
assign (segid " " and resid 5 and name HA) (segid " " and resid 9 and name HN) 2.374 0.704 3.626 weight 1.000 ! spec=H2O NOESY, no=39, id=36, vol=7.510000e+07
assign (segid " " and resid 5 and name HB2) (segid " " and resid 5 and name HN) 2.933 1.075 1.075 weight 1.000 ! spec=H2O NOESY, no=40, id=37, vol=2.110000e+07
assign (segid " " and resid 5 and name HB2) (segid " " and resid 5 and name HA) 2.819 0.993 0.993 weight 1.000 ! spec=H2O NOESY, no=41, id=38, vol=2.680000e+07
assign (segid " " and resid 5 and name HB1) (segid " " and resid 5 and name HN) 2.339 0.684 3.661 weight 1.000 ! spec=H2O NOESY, no=42, id=39, vol=8.210000e+07
assign (segid " " and resid 5 and name HB1) (segid " " and resid 5 and name HA) 2.298 0.660 0.660 weight 1.000 ! spec=H2O NOESY, no=43, id=40, vol=9.130000e+07
assign (segid " " and resid 5 and name HB1) (segid " " and resid 12 and name HD21) 5.371 3.606 3.606 weight 1.000 ! spec=H2O NOESY, no=44, id=41, vol=5.600000e+05
assign (segid " " and resid 6 and name HB2) (segid " " and resid 6 and name HA) 2.282 0.651 0.651 weight 1.000 ! spec=H2O NOESY, no=45, id=42, vol=9.510000e+07
assign (segid " " and resid 6 and name HB2) (segid " " and resid 6 and name HD2) 3.081 1.187 1.187 weight 1.000 ! spec=H2O NOESY, no=46, id=43, vol=1.570000e+07
assign (segid " " and resid 6 and name HB2) (segid " " and resid 6 and name HD1) 3.172 1.257 1.257 weight 1.000 ! spec=H2O NOESY, no=47, id=44, vol=1.320000e+07
assign (segid " " and resid 6 and name HB2) (segid " " and resid 7 and name HN) 3.133 1.227 1.227 weight 1.000 ! spec=H2O NOESY, no=48, id=45, vol=1.420000e+07
assign (segid " " and resid 6 and name HB1) (segid " " and resid 1 and name HA2) 2.530 0.800 0.800 weight 1.000 ! spec=H2O NOESY, no=49, id=46, vol=5.130000e+07
assign (segid " " and resid 6 and name HB1) (segid " " and resid 6 and name HA) 3.689 1.701 1.701 weight 1.000 ! spec=H2O NOESY, no=50, id=47, vol=5.330000e+06
assign (segid " " and resid 6 and name HB1) (segid " " and resid 6 and name HD2) 2.674 0.893 0.893 weight 1.000 ! spec=H2O NOESY, no=51, id=48, vol=3.680000e+07
assign (segid " " and resid 6 and name HB1) (segid " " and resid 7 and name HN) 3.044 1.158 1.158 weight 1.000 ! spec=H2O NOESY, no=52, id=49, vol=1.690000e+07
assign (segid " " and resid 6 and name HD2) (segid " " and resid 2 and name HA) 2.234 0.624 0.624 weight 1.000 ! spec=H2O NOESY, no=53, id=50, vol=1.080000e+08
assign (segid " " and resid 6 and name HD2) (segid " " and resid 6 and name HA) 3.593 1.613 1.613 weight 1.000 ! spec=H2O NOESY, no=54, id=51, vol=6.250000e+06
assign (segid " " and resid 6 and name HD1) (segid " " and resid 2 and name HA) 2.396 0.718 0.718 weight 1.000 ! spec=H2O NOESY, no=55, id=52, vol=7.100000e+07
assign (segid " " and resid 6 and name HD1) (segid " " and resid 6 and name HA) 5.583 3.896 3.896 weight 1.000 ! spec=H2O NOESY, no=56, id=53, vol=4.440000e+05
assign (segid " " and resid 6 and name HG2) (segid " " and resid 6 and name HD2) 2.435 0.741 0.741 weight 1.000 ! spec=H2O NOESY, no=57, id=54, vol=6.440000e+07
assign (segid " " and resid 6 and name HG2) (segid " " and resid 6 and name HD1) 2.556 0.817 0.817 weight 1.000 ! spec=H2O NOESY, no=58, id=55, vol=4.820000e+07
assign (segid " " and resid 6 and name HG2) (segid " " and resid 7 and name HN) 2.653 0.880 0.880 weight 1.000 ! spec=H2O NOESY, no=59, id=56, vol=3.850000e+07
assign (segid " " and resid 6 and name HG1) (segid " " and resid 6 and name HA) 2.504 0.784 3.496 weight 1.000 ! spec=H2O NOESY, no=60, id=57, vol=5.450000e+07
assign (segid " " and resid 7 and name HA) (segid " " and resid 7 and name HN) 2.520 0.794 0.794 weight 1.000 ! spec=H2O NOESY, no=61, id=58, vol=5.250000e+07
assign (segid " " and resid 7 and name HA) (segid " " and resid 9 and name HN) 3.843 1.846 1.846 weight 1.000 ! spec=H2O NOESY, no=62, id=59, vol=4.170000e+06
assign (segid " " and resid 7 and name HA) (segid " " and resid 10 and name HN) 3.740 1.749 1.749 weight 1.000 ! spec=H2O NOESY, no=63, id=60, vol=4.910000e+06
assign (segid " " and resid 7 and name HB2) (segid " " and resid 5 and name HD21) 3.944 1.944 1.944 weight 1.000 ! spec=H2O NOESY, no=64, id=61, vol=3.570000e+06
or (segid " " and resid 7 and name HB1) (segid " " and resid 5 and name HD21)
or (segid " " and resid 7 and name HB3) (segid " " and resid 5 and name HD21)
assign (segid " " and resid 7 and name HB2) (segid " " and resid 7 and name HN) 2.256 0.636 0.636 weight 1.000 ! spec=H2O NOESY, no=65, id=62, vol=1.020000e+08
or (segid " " and resid 7 and name HB1) (segid " " and resid 7 and name HN)
or (segid " " and resid 7 and name HB3) (segid " " and resid 7 and name HN)
assign (segid " " and resid 7 and name HB2) (segid " " and resid 7 and name HA) 2.283 0.651 0.651 weight 1.000 ! spec=H2O NOESY, no=66, id=63, vol=9.500000e+07
or (segid " " and resid 7 and name HB1) (segid " " and resid 7 and name HA)
or (segid " " and resid 7 and name HB3) (segid " " and resid 7 and name HA)
assign (segid " " and resid 8 and name HA) (segid " " and resid 8 and name HN) 2.621 0.858 0.858 weight 1.000 ! spec=H2O NOESY, no=67, id=64, vol=4.150000e+07
assign (segid " " and resid 8 and name HA) (segid " " and resid 11 and name HD22) 3.241 1.313 1.313 weight 1.000 ! spec=H2O NOESY, no=68, id=65, vol=1.160000e+07
assign (segid " " and resid 8 and name HB2) (segid " " and resid 8 and name HN) 2.501 0.782 3.499 weight 1.000 ! spec=H2O NOESY, no=69, id=66, vol=5.490000e+07
assign (segid " " and resid 8 and name HB2) (segid " " and resid 8 and name HA) 2.566 0.823 0.823 weight 1.000 ! spec=H2O NOESY, no=70, id=67, vol=4.710000e+07
assign (segid " " and resid 8 and name HB2) (segid " " and resid 9 and name HN) 2.504 0.784 0.784 weight 1.000 ! spec=H2O NOESY, no=71, id=68, vol=5.450000e+07
assign (segid " " and resid 8 and name HB2) (segid " " and resid 14 and name HD21) 3.393 1.439 1.439 weight 1.000 ! spec=H2O NOESY, no=72, id=69, vol=8.810000e+06
assign (segid " " and resid 8 and name HB1) (segid " " and resid 8 and name HN) 2.458 0.755 0.755 weight 1.000 ! spec=H2O NOESY, no=73, id=70, vol=6.090000e+07
assign (segid " " and resid 8 and name HB1) (segid " " and resid 8 and name HA) 2.383 0.710 0.710 weight 1.000 ! spec=H2O NOESY, no=74, id=71, vol=7.340000e+07
assign (segid " " and resid 8 and name HB1) (segid " " and resid 8 and name HB2) 1.926 0.464 0.464 weight 1.000 ! spec=H2O NOESY, no=75, id=72, vol=2.630000e+08
assign (segid " " and resid 8 and name HB1) (segid " " and resid 9 and name HN) 2.540 0.807 0.807 weight 1.000 ! spec=H2O NOESY, no=76, id=73, vol=5.000000e+07
assign (segid " " and resid 8 and name HB1) (segid " " and resid 14 and name HD21) 3.402 1.447 1.447 weight 1.000 ! spec=H2O NOESY, no=77, id=74, vol=8.670000e+06
assign (segid " " and resid 9 and name HA) (segid " " and resid 9 and name HN) 2.510 0.787 0.787 weight 1.000 ! spec=H2O NOESY, no=78, id=75, vol=5.380000e+07
assign (segid " " and resid 9 and name HA) (segid " " and resid 10 and name HN) 2.980 1.110 1.110 weight 1.000 ! spec=H2O NOESY, no=79, id=76, vol=1.920000e+07
assign (segid " " and resid 9 and name HA) (segid " " and resid 12 and name HD21) 5.282 3.487 3.487 weight 1.000 ! spec=H2O NOESY, no=80, id=77, vol=6.190000e+05
assign (segid " " and resid 9 and name HD12) (segid " " and resid 5 and name HA) 2.484 0.771 0.771 weight 1.000 ! spec=H2O NOESY, no=81, id=78, vol=5.720000e+07
or (segid " " and resid 9 and name HD11) (segid " " and resid 5 and name HA)
or (segid " " and resid 9 and name HD13) (segid " " and resid 5 and name HA)
assign (segid " " and resid 9 and name HD12) (segid " " and resid 8 and name HB1) 4.583 2.626 2.626 weight 1.000 ! spec=H2O NOESY, no=83, id=80, vol=1.450000e+06
or (segid " " and resid 9 and name HD11) (segid " " and resid 8 and name HB1)
or (segid " " and resid 9 and name HD13) (segid " " and resid 8 and name HB1)
assign (segid " " and resid 9 and name HD12) (segid " " and resid 9 and name HN) 2.424 0.735 0.735 weight 1.000 ! spec=H2O NOESY, no=84, id=81, vol=6.620000e+07
or (segid " " and resid 9 and name HD11) (segid " " and resid 9 and name HN)
or (segid " " and resid 9 and name HD13) (segid " " and resid 9 and name HN)
assign (segid " " and resid 9 and name HD12) (segid " " and resid 9 and name HA) 2.486 0.773 0.773 weight 1.000 ! spec=H2O NOESY, no=85, id=82, vol=5.690000e+07
or (segid " " and resid 9 and name HD11) (segid " " and resid 9 and name HA)
or (segid " " and resid 9 and name HD13) (segid " " and resid 9 and name HA)
assign (segid " " and resid 9 and name HD12) (segid " " and resid 9 and name HG12) 1.988 0.494 0.494 weight 1.000 ! spec=H2O NOESY, no=86, id=83, vol=2.180000e+08
or (segid " " and resid 9 and name HD11) (segid " " and resid 9 and name HG12)
or (segid " " and resid 9 and name HD13) (segid " " and resid 9 and name HG12)
assign (segid " " and resid 9 and name HD12) (segid " " and resid 9 and name HG22) 2.353 0.692 0.692 weight 1.000 ! spec=H2O NOESY, no=87, id=84, vol=7.920000e+07
or (segid " " and resid 9 and name HD12) (segid " " and resid 9 and name HG21)
or (segid " " and resid 9 and name HD12) (segid " " and resid 9 and name HG23)
or (segid " " and resid 9 and name HD11) (segid " " and resid 9 and name HG22)
or (segid " " and resid 9 and name HD11) (segid " " and resid 9 and name HG21)
or (segid " " and resid 9 and name HD11) (segid " " and resid 9 and name HG23)
or (segid " " and resid 9 and name HD13) (segid " " and resid 9 and name HG22)
or (segid " " and resid 9 and name HD13) (segid " " and resid 9 and name HG21)
or (segid " " and resid 9 and name HD13) (segid " " and resid 9 and name HG23)
assign (segid " " and resid 9 and name HD12) (segid " " and resid 10 and name HN) 3.101 1.202 1.202 weight 1.000 ! spec=H2O NOESY, no=88, id=85, vol=1.510000e+07
or (segid " " and resid 9 and name HD11) (segid " " and resid 10 and name HN)
or (segid " " and resid 9 and name HD13) (segid " " and resid 10 and name HN)
assign (segid " " and resid 9 and name HD12) (segid " " and resid 15 and name HG2) 2.330 0.679 0.679 weight 1.000 ! spec=H2O NOESY, no=89, id=86, vol=8.390000e+07
or (segid " " and resid 9 and name HD11) (segid " " and resid 15 and name HG2)
or (segid " " and resid 9 and name HD13) (segid " " and resid 15 and name HG2)
assign (segid " " and resid 9 and name HG12) (segid " " and resid 5 and name HA) 2.494 0.777 0.777 weight 1.000 ! spec=H2O NOESY, no=90, id=87, vol=5.590000e+07
assign (segid " " and resid 9 and name HG12) (segid " " and resid 8 and name HN) 3.081 1.187 1.187 weight 1.000 ! spec=H2O NOESY, no=91, id=88, vol=1.570000e+07
assign (segid " " and resid 9 and name HG12) (segid " " and resid 9 and name HN) 2.120 0.562 0.562 weight 1.000 ! spec=H2O NOESY, no=92, id=89, vol=1.480000e+08
assign (segid " " and resid 9 and name HG12) (segid " " and resid 9 and name HA) 2.433 0.740 3.567 weight 1.000 ! spec=H2O NOESY, no=93, id=90, vol=6.480000e+07
assign (segid " " and resid 9 and name HG12) (segid " " and resid 10 and name HN) 2.589 0.838 0.838 weight 1.000 ! spec=H2O NOESY, no=94, id=91, vol=4.460000e+07
assign (segid " " and resid 9 and name HG11) (segid " " and resid 5 and name HN) 3.409 1.453 1.453 weight 1.000 ! spec=H2O NOESY, no=95, id=92, vol=8.560000e+06
assign (segid " " and resid 9 and name HG22) (segid " " and resid 8 and name HB1) 4.836 2.924 2.924 weight 1.000 ! spec=H2O NOESY, no=96, id=93, vol=1.050000e+06
or (segid " " and resid 9 and name HG21) (segid " " and resid 8 and name HB1)
or (segid " " and resid 9 and name HG23) (segid " " and resid 8 and name HB1)
assign (segid " " and resid 9 and name HG22) (segid " " and resid 9 and name HA) 2.579 0.831 0.831 weight 1.000 ! spec=H2O NOESY, no=97, id=94, vol=4.570000e+07
or (segid " " and resid 9 and name HG21) (segid " " and resid 9 and name HA)
or (segid " " and resid 9 and name HG23) (segid " " and resid 9 and name HA)
assign (segid " " and resid 9 and name HG22) (segid " " and resid 9 and name HB) 1.995 0.498 0.498 weight 1.000 ! spec=H2O NOESY, no=98, id=95, vol=2.130000e+08
or (segid " " and resid 9 and name HG21) (segid " " and resid 9 and name HB)
or (segid " " and resid 9 and name HG23) (segid " " and resid 9 and name HB)
assign (segid " " and resid 9 and name HG22) (segid " " and resid 10 and name HN) 4.821 2.906 2.906 weight 1.000 ! spec=H2O NOESY, no=99, id=96, vol=1.070000e+06
or (segid " " and resid 9 and name HG21) (segid " " and resid 10 and name HN)
or (segid " " and resid 9 and name HG23) (segid " " and resid 10 and name HN)
assign (segid " " and resid 9 and name HG22) (segid " " and resid 15 and name HG2) 2.145 0.575 0.575 weight 1.000 ! spec=H2O NOESY, no=100, id=97, vol=1.380000e+08
or (segid " " and resid 9 and name HG21) (segid " " and resid 15 and name HG2)
or (segid " " and resid 9 and name HG23) (segid " " and resid 15 and name HG2)
assign (segid " " and resid 10 and name HN) (segid " " and resid 8 and name HN) 3.209 1.287 1.287 weight 1.000 ! spec=H2O NOESY, no=101, id=98, vol=1.230000e+07
assign (segid " " and resid 10 and name HN) (segid " " and resid 9 and name HN) 2.615 0.855 0.855 weight 1.000 ! spec=H2O NOESY, no=102, id=99, vol=4.200000e+07
assign (segid " " and resid 10 and name HA) (segid " " and resid 10 and name HN) 2.957 1.093 1.093 weight 1.000 ! spec=H2O NOESY, no=103, id=100, vol=2.010000e+07
assign (segid " " and resid 10 and name HA) (segid " " and resid 11 and name HN) 3.009 1.132 1.132 weight 1.000 ! spec=H2O NOESY, no=104, id=101, vol=1.810000e+07
assign (segid " " and resid 10 and name HB2) (segid " " and resid 7 and name HA) 3.059 1.170 1.170 weight 1.000 ! spec=H2O NOESY, no=105, id=102, vol=1.640000e+07
assign (segid " " and resid 10 and name HB2) (segid " " and resid 10 and name HN) 2.532 0.801 0.801 weight 1.000 ! spec=H2O NOESY, no=106, id=103, vol=5.100000e+07
assign (segid " " and resid 10 and name HB2) (segid " " and resid 10 and name HA) 2.652 0.879 0.879 weight 1.000 ! spec=H2O NOESY, no=107, id=104, vol=3.860000e+07
assign (segid " " and resid 10 and name HB2) (segid " " and resid 11 and name HN) 3.280 1.344 1.344 weight 1.000 ! spec=H2O NOESY, no=108, id=105, vol=1.080000e+07
assign (segid " " and resid 10 and name HB1) (segid " " and resid 7 and name HA) 3.718 1.728 1.728 weight 1.000 ! spec=H2O NOESY, no=109, id=106, vol=5.090000e+06
assign (segid " " and resid 10 and name HB1) (segid " " and resid 10 and name HN) 3.056 1.167 1.167 weight 1.000 ! spec=H2O NOESY, no=110, id=107, vol=1.650000e+07
assign (segid " " and resid 10 and name HB1) (segid " " and resid 10 and name HA) 2.607 0.850 0.850 weight 1.000 ! spec=H2O NOESY, no=111, id=108, vol=4.280000e+07
assign (segid " " and resid 10 and name HB1) (segid " " and resid 11 and name HN) 3.994 1.994 1.994 weight 1.000 ! spec=H2O NOESY, no=112, id=109, vol=3.310000e+06
assign (segid " " and resid 10 and name HD12) (segid " " and resid 10 and name HA) 2.568 0.824 0.824 weight 1.000 ! spec=H2O NOESY, no=113, id=110, vol=4.690000e+07
or (segid " " and resid 10 and name HD11) (segid " " and resid 10 and name HA)
or (segid " " and resid 10 and name HD13) (segid " " and resid 10 and name HA)
assign (segid " " and resid 10 and name HD12) (segid " " and resid 10 and name HB2) 2.122 0.563 0.563 weight 1.000 ! spec=H2O NOESY, no=114, id=111, vol=1.470000e+08
or (segid " " and resid 10 and name HD11) (segid " " and resid 10 and name HB2)
or (segid " " and resid 10 and name HD13) (segid " " and resid 10 and name HB2)
assign (segid " " and resid 10 and name HD12) (segid " " and resid 10 and name HG) 2.891 1.045 1.045 weight 1.000 ! spec=H2O NOESY, no=115, id=112, vol=2.300000e+07
or (segid " " and resid 10 and name HD11) (segid " " and resid 10 and name HG)
or (segid " " and resid 10 and name HD13) (segid " " and resid 10 and name HG)
assign (segid " " and resid 11 and name HN) (segid " " and resid 12 and name HN) 2.417 0.730 0.730 weight 1.000 ! spec=H2O NOESY, no=116, id=113, vol=6.740000e+07
assign (segid " " and resid 11 and name HA) (segid " " and resid 11 and name HN) 2.466 0.760 0.760 weight 1.000 ! spec=H2O NOESY, no=117, id=114, vol=5.980000e+07
assign (segid " " and resid 11 and name HA) (segid " " and resid 12 and name HN) 3.072 1.179 1.179 weight 1.000 ! spec=H2O NOESY, no=118, id=115, vol=1.600000e+07
assign (segid " " and resid 11 and name HB2) (segid " " and resid 11 and name HN) 3.148 1.239 1.239 weight 1.000 ! spec=H2O NOESY, no=119, id=116, vol=1.380000e+07
assign (segid " " and resid 11 and name HB2) (segid " " and resid 11 and name HA) 4.074 2.075 2.075 weight 1.000 ! spec=H2O NOESY, no=120, id=117, vol=2.940000e+06
assign (segid " " and resid 11 and name HB2) (segid " " and resid 11 and name HD21) 3.828 1.832 1.832 weight 1.000 ! spec=H2O NOESY, no=121, id=118, vol=4.270000e+06
assign (segid " " and resid 11 and name HB2) (segid " " and resid 12 and name HD21) 5.369 3.603 3.603 weight 1.000 ! spec=H2O NOESY, no=122, id=119, vol=5.610000e+05
assign (segid " " and resid 11 and name HB1) (segid " " and resid 8 and name HA) 2.803 0.982 0.982 weight 1.000 ! spec=H2O NOESY, no=123, id=120, vol=2.770000e+07
assign (segid " " and resid 11 and name HB1) (segid " " and resid 11 and name HN) 2.656 0.882 0.882 weight 1.000 ! spec=H2O NOESY, no=124, id=121, vol=3.830000e+07
assign (segid " " and resid 11 and name HB1) (segid " " and resid 11 and name HA) 41.481 41.481 215.082 weight 1.000 ! spec=H2O NOESY, no=125, id=122, vol=2.638000e+00
assign (segid " " and resid 11 and name HB1) (segid " " and resid 11 and name HD21) 3.081 1.187 1.187 weight 1.000 ! spec=H2O NOESY, no=126, id=123, vol=1.570000e+07
assign (segid " " and resid 11 and name HB1) (segid " " and resid 13 and name HD2) 2.810 0.987 0.987 weight 1.000 ! spec=H2O NOESY, no=127, id=124, vol=2.730000e+07
assign (segid " " and resid 11 and name HB1) (segid " " and resid 13 and name HD1) 3.270 1.336 1.336 weight 1.000 ! spec=H2O NOESY, no=128, id=125, vol=1.100000e+07
assign (segid " " and resid 12 and name HA) (segid " " and resid 12 and name HN) 2.489 0.774 0.774 weight 1.000 ! spec=H2O NOESY, no=129, id=126, vol=5.650000e+07
assign (segid " " and resid 12 and name HA) (segid " " and resid 12 and name HD21) 3.919 1.920 1.920 weight 1.000 ! spec=H2O NOESY, no=130, id=127, vol=3.710000e+06
assign (segid " " and resid 12 and name HA) (segid " " and resid 14 and name HN) 3.137 1.230 1.230 weight 1.000 ! spec=H2O NOESY, no=131, id=128, vol=1.410000e+07
assign (segid " " and resid 12 and name HB1) (segid " " and resid 12 and name HN) 2.394 0.717 3.606 weight 1.000 ! spec=H2O NOESY, no=132, id=129, vol=7.130000e+07
assign (segid " " and resid 12 and name HB1) (segid " " and resid 12 and name HD21) 2.421 0.732 0.732 weight 1.000 ! spec=H2O NOESY, no=133, id=130, vol=6.680000e+07
assign (segid " " and resid 12 and name HB1) (segid " " and resid 13 and name HA) 3.701 1.712 1.712 weight 1.000 ! spec=H2O NOESY, no=134, id=131, vol=5.230000e+06
assign (segid " " and resid 13 and name HA) (segid " " and resid 14 and name HN) 2.710 0.918 0.918 weight 1.000 ! spec=H2O NOESY, no=135, id=132, vol=3.390000e+07
assign (segid " " and resid 13 and name HB2) (segid " " and resid 13 and name HA) 2.263 0.640 0.640 weight 1.000 ! spec=H2O NOESY, no=136, id=133, vol=1.000000e+08
assign (segid " " and resid 13 and name HB2) (segid " " and resid 13 and name HD2) 3.280 1.344 1.344 weight 1.000 ! spec=H2O NOESY, no=137, id=134, vol=1.080000e+07
assign (segid " " and resid 13 and name HB2) (segid " " and resid 13 and name HD1) 2.924 1.069 1.069 weight 1.000 ! spec=H2O NOESY, no=138, id=135, vol=2.150000e+07
assign (segid " " and resid 13 and name HB2) (segid " " and resid 14 and name HN) 3.205 1.284 1.284 weight 1.000 ! spec=H2O NOESY, no=139, id=136, vol=1.240000e+07
assign (segid " " and resid 13 and name HB2) (segid " " and resid 15 and name HN) 4.051 2.052 2.052 weight 1.000 ! spec=H2O NOESY, no=140, id=137, vol=3.040000e+06
assign (segid " " and resid 13 and name HB1) (segid " " and resid 13 and name HA) 5.031 3.164 3.164 weight 1.000 ! spec=H2O NOESY, no=141, id=138, vol=8.290000e+05
assign (segid " " and resid 13 and name HB1) (segid " " and resid 13 and name HD1) 2.967 1.100 1.100 weight 1.000 ! spec=H2O NOESY, no=142, id=139, vol=1.970000e+07
assign (segid " " and resid 13 and name HB1) (segid " " and resid 14 and name HN) 2.867 1.027 1.027 weight 1.000 ! spec=H2O NOESY, no=143, id=140, vol=2.420000e+07
assign (segid " " and resid 13 and name HB1) (segid " " and resid 15 and name HN) 2.769 0.959 3.231 weight 1.000 ! spec=H2O NOESY, no=144, id=141, vol=2.980000e+07
assign (segid " " and resid 13 and name HD2) (segid " " and resid 12 and name HN) 3.192 1.274 1.274 weight 1.000 ! spec=H2O NOESY, no=145, id=142, vol=1.270000e+07
assign (segid " " and resid 13 and name HD2) (segid " " and resid 12 and name HA) 2.352 0.692 0.692 weight 1.000 ! spec=H2O NOESY, no=146, id=143, vol=7.930000e+07
assign (segid " " and resid 13 and name HD2) (segid " " and resid 14 and name HN) 2.898 1.050 1.050 weight 1.000 ! spec=H2O NOESY, no=147, id=144, vol=2.270000e+07
assign (segid " " and resid 13 and name HD1) (segid " " and resid 12 and name HN) 2.793 0.975 0.975 weight 1.000 ! spec=H2O NOESY, no=148, id=145, vol=2.830000e+07
assign (segid " " and resid 13 and name HD1) (segid " " and resid 12 and name HA) 2.631 0.865 0.865 weight 1.000 ! spec=H2O NOESY, no=149, id=146, vol=4.050000e+07
assign (segid " " and resid 13 and name HD1) (segid " " and resid 13 and name HA) 3.172 1.257 1.257 weight 1.000 ! spec=H2O NOESY, no=150, id=147, vol=1.320000e+07
assign (segid " " and resid 13 and name HD1) (segid " " and resid 13 and name HD2) 2.670 0.891 0.891 weight 1.000 ! spec=H2O NOESY, no=151, id=148, vol=3.710000e+07
assign (segid " " and resid 13 and name HD1) (segid " " and resid 14 and name HN) 3.834 1.838 1.838 weight 1.000 ! spec=H2O NOESY, no=152, id=149, vol=4.230000e+06
assign (segid " " and resid 13 and name HG2) (segid " " and resid 8 and name HA) 2.446 0.748 0.748 weight 1.000 ! spec=H2O NOESY, no=153, id=150, vol=6.270000e+07
assign (segid " " and resid 13 and name HG2) (segid " " and resid 13 and name HD2) 2.142 0.574 0.574 weight 1.000 ! spec=H2O NOESY, no=154, id=151, vol=1.390000e+08
assign (segid " " and resid 13 and name HG2) (segid " " and resid 13 and name HD1) 1.854 0.430 0.430 weight 1.000 ! spec=H2O NOESY, no=155, id=152, vol=3.310000e+08
assign (segid " " and resid 13 and name HG2) (segid " " and resid 14 and name HN) 2.583 0.834 0.834 weight 1.000 ! spec=H2O NOESY, no=156, id=153, vol=4.530000e+07
assign (segid " " and resid 14 and name HA) (segid " " and resid 14 and name HN) 2.523 0.796 0.796 weight 1.000 ! spec=H2O NOESY, no=157, id=154, vol=5.210000e+07
assign (segid " " and resid 14 and name HA) (segid " " and resid 15 and name HN) 3.227 1.302 1.302 weight 1.000 ! spec=H2O NOESY, no=158, id=155, vol=1.190000e+07
assign (segid " " and resid 14 and name HB1) (segid " " and resid 15 and name HE21) 4.879 2.976 2.976 weight 1.000 ! spec=H2O NOESY, no=159, id=156, vol=9.960000e+05
assign (segid " " and resid 14 and name HB1) (segid " " and resid 14 and name HN) 2.410 0.726 0.726 weight 1.000 ! spec=H2O NOESY, no=160, id=157, vol=6.860000e+07
assign (segid " " and resid 14 and name HB1) (segid " " and resid 15 and name HN) 3.597 1.618 1.618 weight 1.000 ! spec=H2O NOESY, no=161, id=158, vol=6.200000e+06
assign (segid " " and resid 15 and name HA) (segid " " and resid 15 and name HN) 2.731 0.932 0.932 weight 1.000 ! spec=H2O NOESY, no=162, id=159, vol=3.240000e+07
assign (segid " " and resid 15 and name HB2) (segid " " and resid 9 and name HA) 2.840 1.008 1.008 weight 1.000 ! spec=H2O NOESY, no=163, id=160, vol=2.560000e+07
assign (segid " " and resid 15 and name HB2) (segid " " and resid 15 and name HN) 2.434 0.740 0.740 weight 1.000 ! spec=H2O NOESY, no=164, id=161, vol=6.470000e+07
assign (segid " " and resid 15 and name HB2) (segid " " and resid 15 and name HE21) 4.177 2.181 2.181 weight 1.000 ! spec=H2O NOESY, no=165, id=162, vol=2.530000e+06
assign (segid " " and resid 15 and name HB2) (segid " " and resid 15 and name HG2) 1.830 0.419 4.170 weight 1.000 ! spec=H2O NOESY, no=166, id=163, vol=3.580000e+08
assign (segid " " and resid 15 and name HE21) (segid " " and resid 15 and name HN) 2.950 1.088 1.088 weight 1.000 ! spec=H2O NOESY, no=167, id=164, vol=2.040000e+07
assign (segid " " and resid 15 and name HG2) (segid " " and resid 15 and name HN) 3.133 1.227 1.227 weight 1.000 ! spec=H2O NOESY, no=168, id=165, vol=1.420000e+07
assign (segid " " and resid 15 and name HG2) (segid " " and resid 15 and name HE21) 5.089 3.237 3.237 weight 1.000 ! spec=H2O NOESY, no=169, id=166, vol=7.740000e+05
assign (segid " " and resid 15 and name HG1) (segid " " and resid 12 and name HN) 3.223 1.298 1.298 weight 1.000 ! spec=H2O NOESY, no=170, id=167, vol=1.200000e+07
assign (segid " " and resid 16 and name HA) (segid " " and resid 16 and name HN) 3.020 1.140 1.140 weight 1.000 ! spec=H2O NOESY, no=171, id=168, vol=1.770000e+07
assign (segid " " and resid 16 and name HB2) (segid " " and resid 3 and name HN) 3.359 1.410 1.410 weight 1.000 ! spec=H2O NOESY, no=172, id=169, vol=9.360000e+06
assign (segid " " and resid 16 and name HB2) (segid " " and resid 16 and name HN) 2.609 0.851 0.851 weight 1.000 ! spec=H2O NOESY, no=173, id=170, vol=4.260000e+07
assign (segid " " and resid 16 and name HB1) (segid " " and resid 3 and name HN) 2.486 0.772 3.514 weight 1.000 ! spec=H2O NOESY, no=174, id=171, vol=5.700000e+07
assign (segid " " and resid 16 and name HB1) (segid " " and resid 16 and name HN) 2.709 0.917 0.917 weight 1.000 ! spec=H2O NOESY, no=175, id=172, vol=3.400000e+07
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