NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
636163 |
6h0q   |
34301 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 1: mH0ACPb_nnoesy.tbl
assign ( resid 57 and name H
)
( resid 60 and name H
) 3.6 0.7 0.7 volume=7272947.391 peak=2 ppm1=7.997 ppm2=8.885
assign ( resid 60 and name H
)
( resid 62 and name H
) 4.2 0.8 0.8 volume=2939374.637 peak=3 ppm1=8.846 ppm2=7.129
assign ( resid 52 and name H
)
( resid 51 and name H
) 3.6 0.7 0.7 volume=7542336.031 peak=6 ppm1=9.134 ppm2=8.631
assign ( resid 68 and name H
)
( resid 69 and name H
) 3.3 0.7 0.7 volume=13414641.000 peak=8 ppm1=8.294 ppm2=9.123
assign ( resid 88 and name H
)
( resid 89 and name H
) 3.5 0.7 0.7 volume=9360521.828 peak=11 ppm1=8.980 ppm2=8.373
assign ( resid 61 and name H
)
( resid 59 and name H
) 4.2 0.8 0.8 volume=3132155.711 peak=15 ppm1=8.943 ppm2=8.208
assign ( resid 61 and name H
)
( resid 57 and name H
) 4.1 0.8 0.8 volume=3708115.562 peak=16 ppm1=8.948 ppm2=7.984
assign ( resid 91 and name H
)
( resid 92 and name H
) 3.3 0.7 0.7 volume=13132777.250 peak=17 ppm1=8.882 ppm2=7.826
assign ( resid 90 and name H
)
( resid 89 and name H
) 3.4 0.7 0.7 volume=11151620.391 peak=21 ppm1=8.764 ppm2=8.369
assign ( resid 28 and name H
)
( resid 29 and name H
) 3.2 0.6 0.6 volume=15569367.688 peak=22 ppm1=7.479 ppm2=8.732
assign ( resid 96 and name H
)
( resid 95 and name H
) 3.4 0.7 0.7 volume=11590931.188 peak=23 ppm1=8.239 ppm2=8.564
assign ( resid 95 and name H
)
( resid 97 and name H
) 3.8 0.8 0.8 volume=6033694.312 peak=24 ppm1=8.565 ppm2=7.795
assign ( resid 66 and name H
)
( resid 67 and name H
) 3.3 0.7 0.7 volume=10174549.547 peak=25 ppm1=8.818 ppm2=8.519
assign ( resid 67 and name H
)
( resid 68 and name H
) 3.3 0.7 0.7 volume=12510052.516 peak=27 ppm1=8.520 ppm2=8.290
assign ( resid 64 and name H
)
( resid 63 and name H
) 3.3 0.7 0.7 volume=13526553.125 peak=28 ppm1=8.589 ppm2=7.476
assign ( resid 23 and name H
)
( resid 24 and name H
) 3.0 0.6 0.6 volume=23796458.438 peak=29 ppm1=7.978 ppm2=8.162
assign ( resid 100 and name H
)
( resid 99 and name H
) 3.0 0.6 0.6 volume=22482910.844 peak=30 ppm1=7.695 ppm2=7.413
assign ( resid 98 and name H
)
( resid 99 and name H
) 3.1 0.6 0.6 volume=16168127.344 peak=33 ppm1=8.054 ppm2=7.409
assign ( resid 35 and name H
)
( resid 36 and name H
) 3.2 0.6 0.6 volume=14980214.344 peak=35 ppm1=8.065 ppm2=7.762
assign ( resid 35 and name H
)
( resid 34 and name H
) 3.3 0.7 0.7 volume=13076294.469 peak=36 ppm1=8.065 ppm2=8.379
assign ( resid 7 and name H
)
( resid 6 and name H
) 3.2 0.6 0.6 volume=16268117.812 peak=37 ppm1=7.956 ppm2=8.279
assign ( resid 43 and name H
)
( resid 44 and name H
) 3.5 0.7 0.7 volume=8513138.188 peak=38 ppm1=9.003 ppm2=8.032
assign ( resid 44 and name H
)
( resid 45 and name H
) 3.2 0.6 0.6 volume=15437642.375 peak=39 ppm1=8.037 ppm2=7.523
assign ( resid 13 and name H
)
( resid 14 and name H
) 3.0 0.6 0.6 volume=23773659.250 peak=40 ppm1=8.141 ppm2=7.528
assign ( resid 83 and name H
)
( resid 84 and name H
) 3.1 0.6 0.6 volume=18973221.500 peak=42 ppm1=7.965 ppm2=7.322
assign ( resid 84 and name H
)
( resid 84 and name HD2
) 3.6 0.7 0.7 volume=8283531.672 peak=43 ppm1=7.321 ppm2=6.715
assign ( resid 53 and name H
)
( resid 54 and name H
) 3.0 0.6 0.6 volume=21856043.062 peak=46 ppm1=7.124 ppm2=7.759
assign ( resid 53 and name H
)
( resid 52 and name H
) 3.2 0.6 0.6 volume=10871021.875 peak=47 ppm1=7.123 ppm2=9.130
assign ( resid 62 and name H
)
( resid 61 and name H
) 3.2 0.6 0.6 volume=15443559.719 peak=48 ppm1=7.146 ppm2=8.944
assign ( resid 62 and name H
)
( resid 64 and name H
) 4.1 0.8 0.8 volume=3533424.094 peak=49 ppm1=7.140 ppm2=8.603
assign ( resid 79 and name H
)
( resid 80 and name H
) 3.2 0.6 0.6 volume=14768467.125 peak=53 ppm1=6.744 ppm2=7.328
assign ( resid 55 and name H
)
( resid 53 and name H
) 3.9 0.8 0.8 volume=4945914.758 peak=54 ppm1=7.418 ppm2=7.099
assign ( resid 54 and name H
)
( resid 55 and name H
) 3.2 0.6 0.6 volume=17194923.125 peak=55 ppm1=7.765 ppm2=7.422
assign ( resid 73 and name H
)
( resid 72 and name H
) 2.8 0.6 0.6 volume=34609562.500 peak=56 ppm1=8.163 ppm2=7.864
assign ( resid 86 and name H
)
( resid 89 and name H
) 4.0 0.8 0.8 volume=4297921.727 peak=59 ppm1=7.370 ppm2=8.377
assign ( resid 86 and name H
)
( resid 90 and name H
) 4.1 0.8 0.8 volume=3807967.398 peak=60 ppm1=7.368 ppm2=8.755
assign ( resid 71 and name H
)
( resid 72 and name H
) 3.0 0.6 0.6 volume=24995496.688 peak=61 ppm1=8.165 ppm2=7.866
assign ( resid 73 and name H
)
( resid 74 and name H
) 3.3 0.7 0.7 volume=13706560.344 peak=63 ppm1=8.166 ppm2=7.646
assign ( resid 71 and name HD22
)
( resid 71 and name H
) 3.7 0.7 0.7 volume=6462853.039 peak=64 ppm1=7.352 ppm2=8.159
assign ( resid 16 and name H
)
( resid 15 and name H
) 3.6 0.7 0.7 volume=6560988.766 peak=65 ppm1=7.356 ppm2=8.419
assign ( resid 15 and name H
)
( resid 14 and name H
) 4.2 0.8 0.8 volume=2778704.328 peak=66 ppm1=8.420 ppm2=7.527
assign ( resid 55 and name H
)
( resid 55 and name HA2
) 2.9 0.6 0.6 volume=29831504.812 peak=67 ppm1=7.419 ppm2=3.683
assign ( resid 55 and name H
)
( resid 55 and name HA3
) 3.0 0.6 0.6 volume=24509480.500 peak=68 ppm1=7.419 ppm2=4.399
assign ( resid 79 and name H
)
( resid 78 and name HA
) 3.8 0.8 0.8 volume=5897334.297 peak=70 ppm1=6.744 ppm2=4.000
assign ( resid 79 and name H
)
( resid 79 and name HA
) 3.4 0.7 0.7 volume=11078585.750 peak=71 ppm1=6.742 ppm2=4.194
assign ( resid 71 and name H
)
( resid 68 and name HA
) 3.4 0.7 0.7 volume=10903341.109 peak=72 ppm1=8.164 ppm2=4.089
assign ( resid 73 and name H
)
( resid 73 and name HA3
) 2.9 0.6 0.6 volume=28581119.438 peak=73 ppm1=8.164 ppm2=4.075
assign ( resid 73 and name H
)
( resid 73 and name HA2
) 2.9 0.6 0.6 volume=27406253.438 peak=74 ppm1=8.166 ppm2=3.810
assign ( resid 71 and name H
)
( resid 70 and name HA
) 3.9 0.8 0.8 volume=4516733.984 peak=75 ppm1=8.163 ppm2=4.281
assign ( resid 73 and name H
)
( resid 70 and name HA
) 4.5 0.9 0.9 volume=2105345.721 peak=76 ppm1=8.154 ppm2=4.272
assign ( resid 15 and name H
)
( resid 14 and name HA
) 3.2 0.6 0.6 volume=17025389.906 peak=77 ppm1=8.422 ppm2=4.366
assign ( resid 15 and name H
)
( resid 15 and name HA2
) 3.1 0.6 0.6 volume=18031800.344 peak=78 ppm1=8.422 ppm2=3.960
assign ( resid 15 and name H
)
( resid 14 and name HB2
) 3.9 0.8 0.8 volume=5034151.562 peak=79 ppm1=8.423 ppm2=2.820
assign ( resid 60 and name H
)
( resid 59 and name HA
) 3.7 0.7 0.7 volume=6478323.266 peak=80 ppm1=8.846 ppm2=4.359
assign ( resid 60 and name H
)
( resid 60 and name HA
) 3.1 0.6 0.6 volume=17899343.219 peak=81 ppm1=8.844 ppm2=4.010
assign ( resid 60 and name H
)
( resid 59 and name HB2
) 3.2 0.6 0.6 volume=16381009.781 peak=82 ppm1=8.844 ppm2=1.980
assign ( resid 60 and name H
)
( resid 59 and name HB3
) 3.2 0.6 0.6 volume=17018577.094 peak=83 ppm1=8.844 ppm2=1.663
assign ( resid 60 and name H
)
( resid 60 and name HG2#
) 3.0 0.6 0.6 volume=21222997.688 peak=84 ppm1=8.845 ppm2=1.316
assign ( resid 60 and name H
)
( resid 59 and name HD2#
) 3.9 0.8 0.8 volume=4969912.258 peak=85 ppm1=8.840 ppm2=0.925
assign ( resid 60 and name H
)
( resid 56 and name HG2#
) 4.0 0.8 0.8 volume=3995405.891 peak=86 ppm1=8.847 ppm2=0.651
assign ( resid 95 and name H
)
( resid 94 and name HA
) 4.0 0.8 0.8 volume=4194509.676 peak=87 ppm1=8.571 ppm2=3.472
assign ( resid 95 and name H
)
( resid 95 and name HA
) 3.3 0.7 0.7 volume=12436061.531 peak=88 ppm1=8.565 ppm2=3.770
assign ( resid 95 and name H
)
( resid 92 and name HA
) 3.8 0.8 0.8 volume=5407688.242 peak=89 ppm1=8.568 ppm2=3.906
assign ( resid 95 and name H
)
( resid 95 and name HB3
) 3.1 0.6 0.6 volume=20784674.750 peak=90 ppm1=8.567 ppm2=3.250
assign ( resid 95 and name H
)
( resid 95 and name HB2
) 3.0 0.6 0.6 volume=22904570.562 peak=91 ppm1=8.565 ppm2=2.913
assign ( resid 52 and name H
)
( resid 52 and name HA
) 3.0 0.6 0.6 volume=22428502.969 peak=92 ppm1=9.133 ppm2=4.266
assign ( resid 52 and name H
)
( resid 51 and name HA
) 4.3 0.9 0.9 volume=2774884.994 peak=93 ppm1=9.127 ppm2=4.095
assign ( resid 20 and name H
)
( resid 21 and name H
) 3.3 0.7 0.7 volume=13315791.906 peak=94 ppm1=7.814 ppm2=9.155
assign ( resid 21 and name H
)
( resid 22 and name H
) 3.3 0.7 0.7 volume=12497559.812 peak=95 ppm1=9.158 ppm2=7.993
assign ( resid 27 and name H
)
( resid 26 and name H
) 3.1 0.6 0.6 volume=14808296.969 peak=96 ppm1=8.181 ppm2=9.013
assign ( resid 65 and name H
)
( resid 66 and name H
) 3.2 0.6 0.6 volume=7919405.734 peak=98 ppm1=7.744 ppm2=8.820
assign ( resid 20 and name H
)
( resid 17 and name H
) 4.1 0.8 0.8 volume=3394653.602 peak=99 ppm1=7.816 ppm2=8.834
assign ( resid 65 and name H
)
( resid 64 and name H
) 3.6 0.7 0.7 volume=8174668.422 peak=100 ppm1=7.744 ppm2=8.584
assign ( resid 89 and name H
)
( resid 88 and name H
) 3.6 0.7 0.7 volume=7616640.438 peak=106 ppm1=8.372 ppm2=8.973
assign ( resid 59 and name H
)
( resid 60 and name H
) 3.0 0.6 0.6 volume=21673115.688 peak=108 ppm1=8.214 ppm2=8.849
assign ( resid 31 and name H
)
( resid 32 and name H
) 3.0 0.6 0.6 volume=23515147.250 peak=109 ppm1=8.530 ppm2=8.268
assign ( resid 25 and name H
)
( resid 24 and name H
) 3.0 0.6 0.6 volume=21541359.844 peak=111 ppm1=7.880 ppm2=8.154
assign ( resid 86 and name H
)
( resid 85 and name HA
) 3.6 0.7 0.7 volume=8375222.641 peak=112 ppm1=7.369 ppm2=5.127
assign ( resid 86 and name H
)
( resid 86 and name HB
) 3.2 0.6 0.6 volume=16809621.031 peak=113 ppm1=7.371 ppm2=4.375
assign ( resid 86 and name H
)
( resid 85 and name HD2
) 3.9 0.8 0.8 volume=4573744.023 peak=114 ppm1=7.365 ppm2=3.613
assign ( resid 86 and name H
)
( resid 89 and name HA
) 3.9 0.8 0.8 volume=5130724.062 peak=115 ppm1=7.374 ppm2=4.072
assign ( resid 86 and name H
)
( resid 84 and name HB2
) 3.7 0.7 0.7 volume=6390678.047 peak=116 ppm1=7.364 ppm2=2.297
assign ( resid 86 and name H
)
( resid 86 and name HG2#
) 3.2 0.6 0.6 volume=14827116.719 peak=117 ppm1=7.371 ppm2=0.950
assign ( resid 63 and name H
)
( resid 62 and name H
) 3.0 0.6 0.6 volume=23392479.562 peak=119 ppm1=7.480 ppm2=7.135
assign ( resid 71 and name HD22
)
( resid 67 and name HG2#
) 3.3 0.7 0.7 volume=14292229.844 peak=121 ppm1=7.354 ppm2=1.246
assign ( resid 71 and name HD21
)
( resid 28 and name HD1#
) 4.0 0.8 0.8 volume=4043922.047 peak=122 ppm1=7.225 ppm2=0.702
assign ( resid 71 and name HD22
)
( resid 28 and name HD1#
) 3.8 0.8 0.8 volume=5585048.703 peak=123 ppm1=7.353 ppm2=0.697
assign ( resid 71 and name HD22
)
( resid 71 and name HB3
) 3.5 0.7 0.7 volume=9228526.750 peak=124 ppm1=7.355 ppm2=2.735
assign ( resid 71 and name HD21
)
( resid 71 and name HB3
) 4.0 0.8 0.8 volume=3884964.102 peak=125 ppm1=7.225 ppm2=2.729
assign ( resid 71 and name HD22
)
( resid 71 and name HB2
) 3.5 0.7 0.7 volume=9878911.422 peak=126 ppm1=7.356 ppm2=2.645
assign ( resid 71 and name HD21
)
( resid 71 and name HB2
) 4.1 0.8 0.8 volume=3479350.555 peak=127 ppm1=7.227 ppm2=2.651
assign ( resid 71 and name HD21
)
( resid 71 and name HA
) 3.9 0.8 0.8 volume=4801155.344 peak=128 ppm1=7.226 ppm2=4.455
assign ( resid 71 and name HD21
)
( resid 68 and name HA
) 4.2 0.8 0.8 volume=3273596.414 peak=129 ppm1=7.218 ppm2=4.084
assign ( resid 71 and name HD22
)
( resid 68 and name HA
) 3.9 0.8 0.8 volume=4705493.938 peak=130 ppm1=7.350 ppm2=4.089
assign ( resid 71 and name HD22
)
( resid 71 and name HA
) 3.3 0.7 0.7 volume=13361099.938 peak=131 ppm1=7.354 ppm2=4.443
assign ( resid 66 and name HD22
)
( resid 63 and name HA
) 3.6 0.7 0.7 volume=7982048.625 peak=132 ppm1=7.783 ppm2=4.076
assign ( resid 66 and name HD22
)
( resid 66 and name HB2
) 3.3 0.7 0.7 volume=12777240.859 peak=133 ppm1=7.783 ppm2=3.011
assign ( resid 66 and name HD22
)
( resid 66 and name HB3
) 3.4 0.7 0.7 volume=11363291.156 peak=134 ppm1=7.782 ppm2=2.827
assign ( resid 66 and name HD21
)
( resid 66 and name HB3
) 3.6 0.7 0.7 volume=7360264.281 peak=135 ppm1=6.895 ppm2=2.829
assign ( resid 66 and name HD21
)
( resid 62 and name HB3
) 3.9 0.8 0.8 volume=4752071.617 peak=136 ppm1=6.891 ppm2=1.754
assign ( resid 71 and name H
)
( resid 71 and name HA
) 3.2 0.6 0.6 volume=17276490.312 peak=137 ppm1=8.165 ppm2=4.452
assign ( resid 71 and name H
)
( resid 70 and name HB3
) 3.1 0.6 0.6 volume=18794689.781 peak=138 ppm1=8.165 ppm2=3.247
assign ( resid 71 and name H
)
( resid 71 and name HB2
) 3.1 0.6 0.6 volume=19472372.562 peak=139 ppm1=8.164 ppm2=2.649
assign ( resid 71 and name H
)
( resid 94 and name HD1#
) 3.7 0.7 0.7 volume=6864761.672 peak=140 ppm1=8.161 ppm2=0.711
assign ( resid 73 and name H
)
( resid 94 and name HD2#
) 4.0 0.8 0.8 volume=4148880.680 peak=141 ppm1=8.155 ppm2=0.731
assign ( resid 43 and name H
)
( resid 43 and name HA
) 3.5 0.7 0.7 volume=9557508.500 peak=142 ppm1=9.012 ppm2=4.058
assign ( resid 52 and name H
)
( resid 51 and name HB3
) 3.2 0.6 0.6 volume=16213654.062 peak=143 ppm1=9.133 ppm2=2.734
assign ( resid 52 and name H
)
( resid 52 and name HB3
) 3.0 0.6 0.6 volume=24125164.500 peak=144 ppm1=9.133 ppm2=1.898
assign ( resid 52 and name H
)
( resid 52 and name HB2
) 2.9 0.6 0.6 volume=27465869.750 peak=145 ppm1=9.132 ppm2=1.692
assign ( resid 52 and name H
)
( resid 52 and name HG3
) 2.9 0.6 0.6 volume=29766347.188 peak=146 ppm1=9.132 ppm2=1.461
assign ( resid 88 and name H
)
( resid 86 and name HB
) 3.1 0.6 0.6 volume=18468695.406 peak=147 ppm1=8.981 ppm2=4.382
assign ( resid 88 and name H
)
( resid 88 and name HA
) 3.1 0.6 0.6 volume=20753471.500 peak=148 ppm1=8.981 ppm2=4.179
assign ( resid 88 and name H
)
( resid 87 and name HD2
) 4.0 0.8 0.8 volume=4230754.531 peak=149 ppm1=8.985 ppm2=3.695
assign ( resid 88 and name H
)
( resid 88 and name HB2
) 2.8 0.6 0.6 volume=36387401.500 peak=150 ppm1=8.980 ppm2=2.838
assign ( resid 88 and name H
)
( resid 87 and name HB2
) 3.2 0.6 0.6 volume=15199548.500 peak=151 ppm1=8.981 ppm2=1.943
assign ( resid 88 and name H
)
( resid 86 and name HG2#
) 3.9 0.8 0.8 volume=4677142.297 peak=152 ppm1=8.983 ppm2=0.967
assign ( resid 88 and name H
)
( resid 48 and name HB#
) 4.2 0.8 0.8 volume=2953729.732 peak=153 ppm1=8.991 ppm2=1.251
assign ( resid 21 and name H
)
( resid 21 and name HA
) 3.5 0.7 0.7 volume=8750687.906 peak=154 ppm1=9.158 ppm2=3.730
assign ( resid 21 and name H
)
( resid 20 and name HA
) 3.9 0.8 0.8 volume=4504993.352 peak=155 ppm1=9.158 ppm2=4.109
assign ( resid 21 and name H
)
( resid 18 and name HA
) 4.0 0.8 0.8 volume=3922546.438 peak=156 ppm1=9.159 ppm2=4.356
assign ( resid 21 and name H
)
( resid 20 and name HB3
) 3.2 0.6 0.6 volume=15666131.844 peak=157 ppm1=9.158 ppm2=2.381
assign ( resid 21 and name H
)
( resid 21 and name HB3
) 3.5 0.7 0.7 volume=8705371.828 peak=158 ppm1=9.157 ppm2=2.667
assign ( resid 21 and name H
)
( resid 21 and name HG2
) 3.3 0.7 0.7 volume=12548339.625 peak=159 ppm1=9.158 ppm2=2.893
assign ( resid 21 and name H
)
( resid 16 and name HB2
) 3.8 0.8 0.8 volume=5659170.016 peak=160 ppm1=9.160 ppm2=1.858
assign ( resid 21 and name H
)
( resid 21 and name HB2
) 3.3 0.7 0.7 volume=12495699.062 peak=161 ppm1=9.158 ppm2=1.630
assign ( resid 21 and name H
)
( resid 16 and name HD2#
) 3.4 0.7 0.7 volume=10858082.969 peak=162 ppm1=9.157 ppm2=0.762
assign ( resid 69 and name H
)
( resid 68 and name HB2
) 3.5 0.7 0.7 volume=9277917.938 peak=163 ppm1=9.121 ppm2=1.901
assign ( resid 69 and name H
)
( resid 69 and name HG2#
) 3.1 0.6 0.6 volume=17965764.219 peak=164 ppm1=9.121 ppm2=1.267
assign ( resid 69 and name H
)
( resid 94 and name HD2#
) 3.3 0.7 0.7 volume=14100664.719 peak=165 ppm1=9.120 ppm2=0.781
assign ( resid 69 and name H
)
( resid 69 and name HB
) 2.8 0.6 0.6 volume=34099718.625 peak=166 ppm1=9.122 ppm2=4.296
assign ( resid 69 and name H
)
( resid 69 and name HA
) 3.0 0.6 0.6 volume=21119481.094 peak=167 ppm1=9.121 ppm2=4.113
assign ( resid 26 and name H
)
( resid 26 and name HA
) 2.9 0.6 0.6 volume=29290580.688 peak=168 ppm1=9.015 ppm2=4.154
assign ( resid 26 and name H
)
( resid 22 and name HA
) 3.9 0.8 0.8 volume=4929192.430 peak=169 ppm1=9.015 ppm2=3.412
assign ( resid 26 and name H
)
( resid 25 and name HB2
) 3.3 0.7 0.7 volume=12533974.000 peak=170 ppm1=9.015 ppm2=1.938
assign ( resid 26 and name H
)
( resid 26 and name HB#
) 2.6 0.5 0.5 volume=51976554.500 peak=171 ppm1=9.015 ppm2=1.509
assign ( resid 26 and name H
)
( resid 25 and name HB3
) 3.4 0.7 0.7 volume=10176166.766 peak=172 ppm1=9.015 ppm2=1.249
assign ( resid 26 and name H
)
( resid 25 and name HD1#
) 3.5 0.7 0.7 volume=9967184.094 peak=173 ppm1=9.015 ppm2=0.772
assign ( resid 26 and name H
)
( resid 91 and name HG2#
) 3.0 0.6 0.6 volume=21047132.844 peak=174 ppm1=9.014 ppm2=1.013
assign ( resid 61 and name H
)
( resid 56 and name HG2#
) 3.2 0.6 0.6 volume=16170149.438 peak=175 ppm1=8.948 ppm2=0.644
assign ( resid 61 and name H
)
( resid 61 and name HB#
) 2.7 0.5 0.5 volume=42755419.562 peak=176 ppm1=8.947 ppm2=1.186
assign ( resid 61 and name H
)
( resid 61 and name HA
) 3.2 0.6 0.6 volume=16488007.438 peak=177 ppm1=8.946 ppm2=3.631
assign ( resid 61 and name H
)
( resid 58 and name HA
) 3.4 0.7 0.7 volume=11628203.844 peak=178 ppm1=8.946 ppm2=4.102
assign ( resid 49 and name H
)
( resid 50 and name H
) 3.8 0.8 0.8 volume=4721224.805 peak=179 ppm1=7.476 ppm2=8.715
assign ( resid 50 and name H
)
( resid 49 and name HB
) 2.5 0.5 0.5 volume=68559024.500 peak=180 ppm1=8.723 ppm2=3.940
assign ( resid 50 and name H
)
( resid 50 and name HA
) 3.2 0.6 0.6 volume=15120152.562 peak=181 ppm1=8.723 ppm2=4.381
assign ( resid 50 and name H
)
( resid 53 and name HB3
) 3.5 0.7 0.7 volume=8712176.406 peak=182 ppm1=8.720 ppm2=2.769
assign ( resid 50 and name H
)
( resid 50 and name HB#
) 2.7 0.5 0.5 volume=44853747.500 peak=183 ppm1=8.722 ppm2=1.473
assign ( resid 50 and name H
)
( resid 49 and name HG2#
) 2.9 0.6 0.6 volume=25872505.406 peak=184 ppm1=8.723 ppm2=1.292
assign ( resid 50 and name H
)
( resid 86 and name HG2#
) 3.6 0.7 0.7 volume=7896189.758 peak=185 ppm1=8.721 ppm2=0.938
assign ( resid 30 and name H
)
( resid 30 and name HB#
) 2.6 0.5 0.5 volume=52283355.625 peak=186 ppm1=8.641 ppm2=1.588
assign ( resid 30 and name H
)
( resid 29 and name HG2#
) 3.2 0.6 0.6 volume=16464641.281 peak=187 ppm1=8.641 ppm2=1.021
assign ( resid 30 and name H
)
( resid 45 and name HG2#
) 3.7 0.7 0.7 volume=6106746.547 peak=188 ppm1=8.640 ppm2=0.714
assign ( resid 30 and name H
)
( resid 29 and name HB
) 3.1 0.6 0.6 volume=19716881.438 peak=189 ppm1=8.641 ppm2=2.192
assign ( resid 30 and name H
)
( resid 29 and name HA
) 3.7 0.7 0.7 volume=6604505.852 peak=190 ppm1=8.640 ppm2=3.448
assign ( resid 30 and name H
)
( resid 28 and name HA
) 3.7 0.7 0.7 volume=7025307.328 peak=191 ppm1=8.641 ppm2=4.171
assign ( resid 30 and name H
)
( resid 30 and name HA
) 2.8 0.6 0.6 volume=32279453.062 peak=192 ppm1=8.641 ppm2=3.956
assign ( resid 30 and name H
)
( resid 27 and name H
) 4.1 0.8 0.8 volume=3718858.883 peak=193 ppm1=8.635 ppm2=8.212
assign ( resid 5 and name H
)
( resid 4 and name HA
) 3.5 0.7 0.7 volume=9806508.406 peak=194 ppm1=8.456 ppm2=4.403
assign ( resid 5 and name H
)
( resid 5 and name HA
) 3.8 0.8 0.8 volume=5420534.828 peak=195 ppm1=8.454 ppm2=4.177
assign ( resid 5 and name H
)
( resid 4 and name HB3
) 3.9 0.8 0.8 volume=4564280.477 peak=196 ppm1=8.454 ppm2=3.957
assign ( resid 5 and name H
)
( resid 5 and name HB#
) 3.2 0.6 0.6 volume=16899113.344 peak=197 ppm1=8.455 ppm2=1.337
assign ( resid 46 and name H
)
( resid 46 and name HB3
) 2.6 0.5 0.5 volume=59385610.250 peak=198 ppm1=8.224 ppm2=3.936
assign ( resid 59 and name H
)
( resid 59 and name HA
) 3.2 0.6 0.6 volume=15455249.250 peak=199 ppm1=8.215 ppm2=4.366
assign ( resid 46 and name H
)
( resid 45 and name H
) 4.1 0.8 0.8 volume=3640437.367 peak=200 ppm1=8.214 ppm2=7.514
assign ( resid 102 and name H
)
( resid 101 and name HA
) 2.8 0.6 0.6 volume=36310001.750 peak=201 ppm1=7.996 ppm2=4.375
assign ( resid 76 and name H
)
( resid 75 and name HA
) 2.7 0.5 0.5 volume=43618203.312 peak=202 ppm1=7.869 ppm2=4.565
assign ( resid 72 and name H
)
( resid 72 and name HB
) 3.2 0.6 0.6 volume=15365790.781 peak=203 ppm1=7.871 ppm2=4.088
assign ( resid 57 and name H
)
( resid 56 and name HA
) 2.8 0.6 0.6 volume=36996771.875 peak=204 ppm1=7.992 ppm2=3.969
assign ( resid 28 and name H
)
( resid 28 and name HA
) 2.8 0.6 0.6 volume=33615524.750 peak=206 ppm1=7.479 ppm2=4.196
assign ( resid 28 and name H
)
( resid 27 and name HA
) 3.5 0.7 0.7 volume=9204470.438 peak=207 ppm1=7.481 ppm2=3.940
assign ( resid 28 and name H
)
( resid 28 and name HB3
) 2.9 0.6 0.6 volume=26997182.188 peak=208 ppm1=7.479 ppm2=1.723
assign ( resid 28 and name H
)
( resid 28 and name HB2
) 3.0 0.6 0.6 volume=25068315.750 peak=209 ppm1=7.479 ppm2=1.934
assign ( resid 28 and name H
)
( resid 24 and name HG2#
) 3.7 0.7 0.7 volume=6189301.391 peak=210 ppm1=7.479 ppm2=1.020
assign ( resid 28 and name H
)
( resid 27 and name HG2#
) 3.6 0.7 0.7 volume=8041651.734 peak=211 ppm1=7.480 ppm2=1.265
assign ( resid 28 and name H
)
( resid 28 and name HD2#
) 3.4 0.7 0.7 volume=10638017.250 peak=212 ppm1=7.478 ppm2=0.763
assign ( resid 80 and name H
)
( resid 79 and name HA
) 3.8 0.8 0.8 volume=5458832.227 peak=213 ppm1=7.330 ppm2=4.191
assign ( resid 80 and name H
)
( resid 80 and name HA
) 3.0 0.6 0.6 volume=21904729.250 peak=214 ppm1=7.330 ppm2=3.999
assign ( resid 16 and name H
)
( resid 16 and name HA
) 3.3 0.7 0.7 volume=14312987.688 peak=215 ppm1=7.354 ppm2=4.622
assign ( resid 16 and name H
)
( resid 14 and name HA
) 3.8 0.8 0.8 volume=5891045.703 peak=216 ppm1=7.353 ppm2=4.371
assign ( resid 16 and name H
)
( resid 15 and name HA2
) 3.3 0.7 0.7 volume=13893555.500 peak=217 ppm1=7.355 ppm2=3.967
assign ( resid 16 and name H
)
( resid 21 and name HG2
) 4.0 0.8 0.8 volume=4030306.914 peak=218 ppm1=7.355 ppm2=2.871
assign ( resid 16 and name H
)
( resid 21 and name HG3
) 4.0 0.8 0.8 volume=4099966.852 peak=219 ppm1=7.351 ppm2=2.334
assign ( resid 16 and name H
)
( resid 16 and name HB3
) 3.4 0.7 0.7 volume=10210987.328 peak=220 ppm1=7.354 ppm2=1.599
assign ( resid 16 and name H
)
( resid 16 and name HB2
) 2.8 0.6 0.6 volume=38655729.312 peak=221 ppm1=7.356 ppm2=1.814
assign ( resid 16 and name H
)
( resid 16 and name HD2#
) 3.0 0.6 0.6 volume=23686419.000 peak=222 ppm1=7.356 ppm2=0.772
assign ( resid 62 and name H
)
( resid 61 and name HB#
) 3.1 0.6 0.6 volume=20042067.688 peak=223 ppm1=7.146 ppm2=1.193
assign ( resid 62 and name H
)
( resid 62 and name HD1#
) 3.3 0.7 0.7 volume=12196517.844 peak=224 ppm1=7.146 ppm2=0.946
assign ( resid 62 and name H
)
( resid 61 and name HA
) 3.8 0.8 0.8 volume=5263117.359 peak=225 ppm1=7.150 ppm2=3.626
assign ( resid 53 and name H
)
( resid 53 and name HB3
) 2.7 0.5 0.5 volume=41603536.062 peak=226 ppm1=7.126 ppm2=2.768
assign ( resid 62 and name H
)
( resid 62 and name HB3
) 2.6 0.5 0.5 volume=55667258.625 peak=227 ppm1=7.146 ppm2=1.798
assign ( resid 62 and name H
)
( resid 65 and name HB2
) 3.7 0.7 0.7 volume=6914345.781 peak=228 ppm1=7.140 ppm2=2.044
assign ( resid 53 and name H
)
( resid 50 and name HB#
) 2.8 0.6 0.6 volume=33141438.938 peak=229 ppm1=7.126 ppm2=1.470
assign ( resid 53 and name H
)
( resid 54 and name HD2#
) 4.0 0.8 0.8 volume=4355925.172 peak=230 ppm1=7.138 ppm2=0.690
assign ( resid 62 and name H
)
( resid 62 and name HA
) 2.9 0.6 0.6 volume=27477086.688 peak=231 ppm1=7.144 ppm2=4.083
assign ( resid 62 and name H
)
( resid 59 and name HA
) 3.4 0.7 0.7 volume=11283827.266 peak=232 ppm1=7.146 ppm2=4.352
assign ( resid 53 and name H
)
( resid 53 and name HA
) 3.1 0.6 0.6 volume=20972588.312 peak=233 ppm1=7.127 ppm2=4.569
assign ( resid 84 and name H
)
( resid 84 and name HA
) 3.4 0.7 0.7 volume=11860189.844 peak=234 ppm1=7.319 ppm2=4.921
assign ( resid 84 and name H
)
( resid 80 and name HA
) 3.4 0.7 0.7 volume=10041329.969 peak=235 ppm1=7.320 ppm2=3.985
assign ( resid 84 and name H
)
( resid 81 and name HA
) 3.9 0.8 0.8 volume=5177823.094 peak=236 ppm1=7.321 ppm2=3.798
assign ( resid 84 and name H
)
( resid 84 and name HB3
) 3.2 0.6 0.6 volume=15152922.812 peak=237 ppm1=7.321 ppm2=3.100
assign ( resid 84 and name H
)
( resid 84 and name HB2
) 3.0 0.6 0.6 volume=22526893.375 peak=238 ppm1=7.320 ppm2=2.286
assign ( resid 84 and name H
)
( resid 83 and name HB3
) 3.5 0.7 0.7 volume=9084428.297 peak=239 ppm1=7.320 ppm2=1.848
assign ( resid 48 and name H
)
( resid 48 and name HA
) 3.1 0.6 0.6 volume=19422018.812 peak=240 ppm1=7.558 ppm2=4.386
assign ( resid 48 and name H
)
( resid 46 and name HB3
) 3.2 0.6 0.6 volume=16682716.250 peak=241 ppm1=7.558 ppm2=3.928
assign ( resid 48 and name H
)
( resid 47 and name HD2
) 3.6 0.7 0.7 volume=8386274.531 peak=242 ppm1=7.555 ppm2=3.763
assign ( resid 14 and name H
)
( resid 14 and name HB2
) 2.5 0.5 0.5 volume=74762447.500 peak=243 ppm1=7.535 ppm2=2.813
assign ( resid 14 and name H
)
( resid 13 and name HB3
) 3.1 0.6 0.6 volume=18407307.406 peak=244 ppm1=7.535 ppm2=1.939
assign ( resid 48 and name H
)
( resid 47 and name HG3
) 3.2 0.6 0.6 volume=14928642.156 peak=245 ppm1=7.557 ppm2=1.949
assign ( resid 48 and name H
)
( resid 48 and name HB#
) 2.6 0.5 0.5 volume=52149418.375 peak=246 ppm1=7.557 ppm2=1.261
assign ( resid 83 and name H
)
( resid 82 and name HD#
) 4.2 0.8 0.8 volume=3003162.012 peak=249 ppm1=7.964 ppm2=7.118
assign ( resid 83 and name H
)
( resid 84 and name HD2
) 4.3 0.9 0.9 volume=2517657.711 peak=250 ppm1=7.965 ppm2=6.727
assign ( resid 83 and name H
)
( resid 82 and name H
) 2.9 0.6 0.6 volume=27841478.500 peak=251 ppm1=7.964 ppm2=7.473
assign ( resid 38 and name H
)
( resid 38 and name HA2
) 3.2 0.6 0.6 volume=16958393.031 peak=252 ppm1=7.712 ppm2=4.057
assign ( resid 38 and name H
)
( resid 38 and name HA3
) 3.1 0.6 0.6 volume=20644303.531 peak=253 ppm1=7.712 ppm2=3.703
assign ( resid 38 and name H
)
( resid 35 and name HA
) 4.0 0.8 0.8 volume=4403544.555 peak=254 ppm1=7.711 ppm2=3.871
assign ( resid 38 and name H
)
( resid 37 and name HA
) 3.6 0.7 0.7 volume=7853439.359 peak=255 ppm1=7.710 ppm2=4.237
assign ( resid 38 and name H
)
( resid 37 and name HB3
) 3.9 0.8 0.8 volume=4564352.781 peak=256 ppm1=7.719 ppm2=1.280
assign ( resid 38 and name H
)
( resid 37 and name HD2#
) 4.0 0.8 0.8 volume=3858222.898 peak=257 ppm1=7.715 ppm2=0.730
assign ( resid 7 and name H
)
( resid 6 and name HB#
) 3.0 0.6 0.6 volume=24825231.000 peak=258 ppm1=7.954 ppm2=1.265
assign ( resid 7 and name H
)
( resid 7 and name HA
) 3.3 0.7 0.7 volume=13283056.984 peak=259 ppm1=7.957 ppm2=4.056
assign ( resid 7 and name H
)
( resid 7 and name HB
) 2.9 0.6 0.6 volume=28867686.812 peak=260 ppm1=7.956 ppm2=4.225
assign ( resid 35 and name H
)
( resid 34 and name HA
) 3.7 0.7 0.7 volume=6697811.594 peak=261 ppm1=8.065 ppm2=3.628
assign ( resid 98 and name H
)
( resid 98 and name HA
) 3.2 0.6 0.6 volume=16733776.812 peak=262 ppm1=8.054 ppm2=4.195
assign ( resid 35 and name H
)
( resid 35 and name HB
) 2.8 0.6 0.6 volume=34265229.375 peak=263 ppm1=8.065 ppm2=4.294
assign ( resid 66 and name H
)
( resid 66 and name HA
) 3.2 0.6 0.6 volume=15445104.031 peak=264 ppm1=8.819 ppm2=4.343
assign ( resid 90 and name H
)
( resid 90 and name HA
) 3.0 0.6 0.6 volume=21355689.688 peak=265 ppm1=8.765 ppm2=4.031
assign ( resid 29 and name H
)
( resid 29 and name HA
) 3.2 0.6 0.6 volume=16937057.719 peak=266 ppm1=8.740 ppm2=3.449
assign ( resid 29 and name H
)
( resid 29 and name HB
) 2.7 0.5 0.5 volume=40656488.250 peak=267 ppm1=8.744 ppm2=2.190
assign ( resid 29 and name H
)
( resid 29 and name HG2#
) 2.7 0.5 0.5 volume=46425788.500 peak=268 ppm1=8.743 ppm2=0.997
assign ( resid 29 and name H
)
( resid 28 and name HD1#
) 3.2 0.6 0.6 volume=15499144.406 peak=269 ppm1=8.744 ppm2=0.716
assign ( resid 29 and name H
)
( resid 28 and name HA
) 3.1 0.6 0.6 volume=19474778.750 peak=270 ppm1=8.743 ppm2=4.151
assign ( resid 8 and name H
)
( resid 8 and name HA
) 3.1 0.6 0.6 volume=18075666.312 peak=271 ppm1=8.308 ppm2=4.443
assign ( resid 102 and name H
)
( resid 102 and name HB2
) 3.5 0.7 0.7 volume=8934248.109 peak=272 ppm1=7.996 ppm2=2.991
assign ( resid 102 and name H
)
( resid 101 and name HB2
) 3.9 0.8 0.8 volume=4681328.928 peak=273 ppm1=7.995 ppm2=3.792
assign ( resid 94 and name H
)
( resid 94 and name HA
) 3.3 0.7 0.7 volume=13640981.562 peak=274 ppm1=8.513 ppm2=3.483
assign ( resid 45 and name H
)
( resid 45 and name HG2#
) 3.0 0.6 0.6 volume=24038415.250 peak=275 ppm1=7.531 ppm2=0.691
assign ( resid 25 and name H
)
( resid 25 and name HB3
) 3.1 0.6 0.6 volume=20398316.062 peak=276 ppm1=7.883 ppm2=1.259
assign ( resid 45 and name H
)
( resid 45 and name HB
) 2.9 0.6 0.6 volume=29538499.938 peak=278 ppm1=7.525 ppm2=2.129
assign ( resid 45 and name H
)
( resid 45 and name HG13
) 2.9 0.6 0.6 volume=26690330.250 peak=279 ppm1=7.538 ppm2=1.394
assign ( resid 56 and name H
)
( resid 56 and name HB
) 2.8 0.6 0.6 volume=33772354.812 peak=280 ppm1=7.543 ppm2=1.666
assign ( resid 45 and name H
)
( resid 44 and name HA
) 3.3 0.7 0.7 volume=12382884.125 peak=281 ppm1=7.524 ppm2=4.364
assign ( resid 45 and name H
)
( resid 42 and name HA
) 3.9 0.8 0.8 volume=5022247.250 peak=282 ppm1=7.537 ppm2=4.164
assign ( resid 45 and name H
)
( resid 45 and name HA
) 3.1 0.6 0.6 volume=19159957.312 peak=283 ppm1=7.527 ppm2=3.961
assign ( resid 64 and name H
)
( resid 64 and name HD1#
) 3.8 0.8 0.8 volume=5224813.195 peak=284 ppm1=8.584 ppm2=0.384
assign ( resid 64 and name H
)
( resid 64 and name HD2#
) 3.5 0.7 0.7 volume=8670904.711 peak=285 ppm1=8.587 ppm2=0.711
assign ( resid 34 and name H
)
( resid 45 and name HG2#
) 3.2 0.6 0.6 volume=15738837.000 peak=286 ppm1=8.380 ppm2=0.698
assign ( resid 64 and name H
)
( resid 36 and name HG1#
) 3.3 0.7 0.7 volume=12529764.562 peak=287 ppm1=8.588 ppm2=0.940
assign ( resid 99 and name H
)
( resid 98 and name HB3
) 3.4 0.7 0.7 volume=11357577.938 peak=288 ppm1=7.415 ppm2=1.665
assign ( resid 99 and name H
)
( resid 98 and name HB2
) 3.8 0.8 0.8 volume=5998612.797 peak=289 ppm1=7.415 ppm2=1.398
assign ( resid 99 and name H
)
( resid 99 and name HG2#
) 3.1 0.6 0.6 volume=20006246.281 peak=290 ppm1=7.416 ppm2=0.904
assign ( resid 99 and name H
)
( resid 99 and name HA
) 3.1 0.6 0.6 volume=19277332.375 peak=291 ppm1=7.418 ppm2=4.389
assign ( resid 99 and name H
)
( resid 99 and name HB
) 3.1 0.6 0.6 volume=19527249.625 peak=292 ppm1=7.415 ppm2=4.193
assign ( resid 99 and name H
)
( resid 96 and name HA
) 4.0 0.8 0.8 volume=4384467.078 peak=293 ppm1=7.419 ppm2=3.626
assign ( resid 79 and name H
)
( resid 78 and name HB3
) 3.0 0.6 0.6 volume=24884191.750 peak=294 ppm1=6.743 ppm2=1.993
assign ( resid 79 and name H
)
( resid 79 and name HG2#
) 3.0 0.6 0.6 volume=24185114.688 peak=295 ppm1=6.743 ppm2=1.126
assign ( resid 72 and name H
)
( resid 72 and name HG2#
) 3.1 0.6 0.6 volume=17738062.781 peak=296 ppm1=7.872 ppm2=1.120
assign ( resid 72 and name H
)
( resid 94 and name HD1#
) 3.7 0.7 0.7 volume=7018074.844 peak=297 ppm1=7.872 ppm2=0.706
assign ( resid 72 and name H
)
( resid 71 and name HB2
) 3.9 0.8 0.8 volume=5064498.031 peak=298 ppm1=7.870 ppm2=2.639
assign ( resid 55 and name H
)
( resid 56 and name HG13
) 3.8 0.8 0.8 volume=5579097.047 peak=299 ppm1=7.427 ppm2=1.413
assign ( resid 55 and name H
)
( resid 54 and name HD2#
) 3.6 0.7 0.7 volume=7973182.906 peak=300 ppm1=7.418 ppm2=0.705
assign ( resid 57 and name H
)
( resid 56 and name HG2#
) 3.0 0.6 0.6 volume=23438398.188 peak=301 ppm1=7.992 ppm2=0.653
assign ( resid 55 and name H
)
( resid 56 and name H
) 3.0 0.6 0.6 volume=25657739.250 peak=302 ppm1=7.419 ppm2=7.554
assign ( resid 55 and name H
)
( resid 54 and name HA
) 3.4 0.7 0.7 volume=10875466.141 peak=303 ppm1=7.420 ppm2=4.290
assign ( resid 55 and name H
)
( resid 54 and name HB3
) 4.2 0.8 0.8 volume=3220771.668 peak=304 ppm1=7.419 ppm2=2.057
assign ( resid 55 and name H
)
( resid 56 and name HB
) 3.5 0.7 0.7 volume=9835140.969 peak=305 ppm1=7.419 ppm2=1.653
assign ( resid 72 and name H
)
( resid 28 and name HD2#
) 3.8 0.8 0.8 volume=5753445.922 peak=306 ppm1=7.872 ppm2=0.786
assign ( resid 72 and name H
)
( resid 71 and name HB3
) 3.9 0.8 0.8 volume=4681876.328 peak=307 ppm1=7.870 ppm2=2.724
assign ( resid 99 and name H
)
( resid 98 and name HD2#
) 3.7 0.7 0.7 volume=6742338.438 peak=308 ppm1=7.419 ppm2=0.745
assign ( resid 81 and name H
)
( resid 81 and name HG2#
) 3.7 0.7 0.7 volume=6745483.734 peak=309 ppm1=8.074 ppm2=0.209
assign ( resid 81 and name H
)
( resid 81 and name HG12
) 3.3 0.7 0.7 volume=13084095.844 peak=310 ppm1=8.075 ppm2=1.034
assign ( resid 81 and name H
)
( resid 81 and name HB
) 3.1 0.6 0.6 volume=20533856.969 peak=311 ppm1=8.076 ppm2=1.564
assign ( resid 81 and name H
)
( resid 81 and name HA
) 3.5 0.7 0.7 volume=9660801.328 peak=312 ppm1=8.081 ppm2=3.803
assign ( resid 81 and name H
)
( resid 78 and name HA
) 4.0 0.8 0.8 volume=3881621.789 peak=313 ppm1=8.080 ppm2=4.002
assign ( resid 81 and name H
)
( resid 80 and name H
) 3.9 0.8 0.8 volume=5032735.789 peak=314 ppm1=8.072 ppm2=7.334
assign ( resid 81 and name H
)
( resid 82 and name H
) 3.4 0.7 0.7 volume=11268792.625 peak=315 ppm1=8.075 ppm2=7.478
assign ( resid 71 and name HD21
)
( resid 71 and name HD22
) 2.3 0.5 0.5 volume=81734564.125 peak=316 ppm1=7.228 ppm2=7.349
assign ( resid 71 and name HD22
)
( resid 28 and name HD2#
) 3.9 0.8 0.8 volume=5037950.906 peak=318 ppm1=7.354 ppm2=0.784
assign ( resid 14 and name HD22
)
( resid 14 and name HB2
) 3.2 0.6 0.6 volume=15527300.500 peak=319 ppm1=7.681 ppm2=2.812
assign ( resid 14 and name HD21
)
( resid 14 and name HB2
) 3.5 0.7 0.7 volume=8791905.984 peak=320 ppm1=6.990 ppm2=2.817
assign ( resid 14 and name HD22
)
( resid 14 and name HA
) 4.2 0.8 0.8 volume=3088643.508 peak=321 ppm1=7.682 ppm2=4.380
assign ( resid 14 and name HD21
)
( resid 14 and name HA
) 4.1 0.8 0.8 volume=3546170.258 peak=322 ppm1=6.987 ppm2=4.360
assign ( resid 14 and name HD21
)
( resid 11 and name HA
) 4.1 0.8 0.8 volume=3625563.328 peak=323 ppm1=6.983 ppm2=4.144
assign ( resid 14 and name H
)
( resid 14 and name HA
) 3.0 0.6 0.6 volume=21162489.938 peak=324 ppm1=7.534 ppm2=4.366
assign ( resid 14 and name H
)
( resid 13 and name HA
) 3.1 0.6 0.6 volume=18461456.500 peak=325 ppm1=7.535 ppm2=4.099
assign ( resid 14 and name H
)
( resid 10 and name HB#
) 3.7 0.7 0.7 volume=6522261.688 peak=326 ppm1=7.535 ppm2=1.444
assign ( resid 14 and name H
)
( resid 13 and name HB2
) 3.6 0.7 0.7 volume=7164247.766 peak=327 ppm1=7.535 ppm2=1.349
assign ( resid 14 and name H
)
( resid 13 and name HD2#
) 3.4 0.7 0.7 volume=11024854.562 peak=328 ppm1=7.535 ppm2=0.763
assign ( resid 16 and name H
)
( resid 13 and name HA
) 3.6 0.7 0.7 volume=7303031.852 peak=329 ppm1=7.357 ppm2=4.077
assign ( resid 53 and name H
)
( resid 52 and name HA
) 3.4 0.7 0.7 volume=11256289.219 peak=330 ppm1=7.125 ppm2=4.306
assign ( resid 53 and name H
)
( resid 52 and name HB2
) 2.9 0.6 0.6 volume=29122520.375 peak=331 ppm1=7.126 ppm2=1.703
assign ( resid 37 and name H
)
( resid 37 and name HB3
) 3.2 0.6 0.6 volume=15956732.875 peak=332 ppm1=7.659 ppm2=1.291
assign ( resid 37 and name H
)
( resid 36 and name HG1#
) 3.3 0.7 0.7 volume=12046456.312 peak=333 ppm1=7.659 ppm2=0.959
assign ( resid 37 and name H
)
( resid 37 and name HD1#
) 3.1 0.6 0.6 volume=20151959.969 peak=334 ppm1=7.659 ppm2=0.719
assign ( resid 37 and name H
)
( resid 37 and name HB2
) 3.3 0.7 0.7 volume=13532101.781 peak=335 ppm1=7.658 ppm2=1.495
assign ( resid 37 and name H
)
( resid 36 and name HB
) 3.8 0.8 0.8 volume=5783300.570 peak=336 ppm1=7.658 ppm2=2.122
assign ( resid 37 and name H
)
( resid 34 and name HA
) 3.6 0.7 0.7 volume=7415551.266 peak=337 ppm1=7.658 ppm2=3.640
assign ( resid 37 and name H
)
( resid 37 and name HA
) 3.3 0.7 0.7 volume=13934839.906 peak=338 ppm1=7.660 ppm2=4.241
assign ( resid 37 and name H
)
( resid 36 and name HA
) 3.7 0.7 0.7 volume=6712778.398 peak=339 ppm1=7.659 ppm2=3.902
assign ( resid 72 and name H
)
( resid 74 and name H
) 4.0 0.8 0.8 volume=2299795.434 peak=340 ppm1=7.873 ppm2=7.640
assign ( resid 74 and name H
)
( resid 74 and name HA
) 3.4 0.7 0.7 volume=11372432.328 peak=341 ppm1=7.649 ppm2=4.256
assign ( resid 74 and name H
)
( resid 73 and name HA3
) 3.1 0.6 0.6 volume=20088372.438 peak=342 ppm1=7.650 ppm2=4.084
assign ( resid 74 and name H
)
( resid 73 and name HA2
) 3.7 0.7 0.7 volume=6699188.328 peak=343 ppm1=7.652 ppm2=3.818
assign ( resid 74 and name H
)
( resid 74 and name HB3
) 3.1 0.6 0.6 volume=18653555.375 peak=344 ppm1=7.651 ppm2=1.549
assign ( resid 74 and name H
)
( resid 74 and name HB2
) 3.3 0.7 0.7 volume=12497156.125 peak=345 ppm1=7.652 ppm2=0.996
assign ( resid 74 and name H
)
( resid 74 and name HD2#
) 3.1 0.6 0.6 volume=20346221.688 peak=346 ppm1=7.651 ppm2=0.693
assign ( resid 56 and name H
)
( resid 52 and name HA
) 3.4 0.7 0.7 volume=10479145.594 peak=347 ppm1=7.545 ppm2=4.277
assign ( resid 56 and name H
)
( resid 55 and name HA2
) 3.6 0.7 0.7 volume=8098643.297 peak=348 ppm1=7.543 ppm2=3.683
assign ( resid 56 and name H
)
( resid 56 and name HA
) 3.3 0.7 0.7 volume=12613982.859 peak=349 ppm1=7.542 ppm2=3.978
assign ( resid 56 and name H
)
( resid 51 and name HB2
) 4.1 0.8 0.8 volume=3536012.617 peak=350 ppm1=7.544 ppm2=2.753
assign ( resid 76 and name H
)
( resid 76 and name HB2
) 3.0 0.6 0.6 volume=22359588.375 peak=351 ppm1=7.869 ppm2=1.534
assign ( resid 76 and name H
)
( resid 75 and name HB3
) 4.0 0.8 0.8 volume=4021281.141 peak=352 ppm1=7.868 ppm2=2.470
assign ( resid 46 and name H
)
( resid 45 and name HG12
) 4.1 0.8 0.8 volume=3425018.828 peak=353 ppm1=8.222 ppm2=1.623
assign ( resid 46 and name H
)
( resid 45 and name HG2#
) 3.2 0.6 0.6 volume=14971141.156 peak=354 ppm1=8.224 ppm2=0.703
assign ( resid 46 and name H
)
( resid 54 and name HD1#
) 3.7 0.7 0.7 volume=6276290.047 peak=355 ppm1=8.228 ppm2=0.846
assign ( resid 9 and name H
)
( resid 9 and name HD1#
) 3.2 0.6 0.6 volume=16963692.469 peak=356 ppm1=8.160 ppm2=0.833
assign ( resid 9 and name H
)
( resid 9 and name HB3
) 2.9 0.6 0.6 volume=26376534.375 peak=357 ppm1=8.161 ppm2=1.899
assign ( resid 9 and name H
)
( resid 9 and name HB2
) 3.0 0.6 0.6 volume=24323297.000 peak=358 ppm1=8.161 ppm2=1.627
assign ( resid 9 and name H
)
( resid 9 and name HG
) 3.2 0.6 0.6 volume=14986505.344 peak=359 ppm1=8.163 ppm2=1.490
assign ( resid 9 and name H
)
( resid 8 and name HB3
) 3.2 0.6 0.6 volume=15150799.125 peak=360 ppm1=8.161 ppm2=2.689
assign ( resid 9 and name H
)
( resid 8 and name HA
) 3.2 0.6 0.6 volume=16369973.156 peak=361 ppm1=8.161 ppm2=4.454
assign ( resid 9 and name H
)
( resid 9 and name HA
) 3.1 0.6 0.6 volume=20542942.812 peak=362 ppm1=8.159 ppm2=4.065
assign ( resid 9 and name H
)
( resid 6 and name HA
) 3.5 0.7 0.7 volume=9375542.594 peak=363 ppm1=8.163 ppm2=4.188
assign ( resid 57 and name H
)
( resid 56 and name HB
) 4.1 0.8 0.8 volume=3658687.961 peak=364 ppm1=7.980 ppm2=1.661
assign ( resid 57 and name H
)
( resid 60 and name HG2#
) 3.7 0.7 0.7 volume=6626630.547 peak=365 ppm1=7.987 ppm2=1.334
assign ( resid 61 and name H
)
( resid 59 and name HB2
) 4.2 0.8 0.8 volume=3156562.922 peak=366 ppm1=8.947 ppm2=2.006
assign ( resid 61 and name H
)
( resid 64 and name HB3
) 4.0 0.8 0.8 volume=4412015.023 peak=367 ppm1=8.947 ppm2=1.766
assign ( resid 61 and name H
)
( resid 60 and name HA
) 3.4 0.7 0.7 volume=11743164.750 peak=368 ppm1=8.949 ppm2=4.024
assign ( resid 26 and name H
)
( resid 23 and name HA
) 3.1 0.6 0.6 volume=18345737.875 peak=369 ppm1=9.015 ppm2=4.031
assign ( resid 64 and name H
)
( resid 63 and name HB2
) 3.1 0.6 0.6 volume=18060595.562 peak=370 ppm1=8.591 ppm2=2.037
assign ( resid 64 and name H
)
( resid 64 and name HB3
) 3.1 0.6 0.6 volume=20267090.938 peak=371 ppm1=8.589 ppm2=1.793
assign ( resid 64 and name H
)
( resid 64 and name HB2
) 3.0 0.6 0.6 volume=21860615.969 peak=372 ppm1=8.589 ppm2=1.358
assign ( resid 64 and name H
)
( resid 64 and name HG
) 3.5 0.7 0.7 volume=8463592.609 peak=373 ppm1=8.591 ppm2=1.243
assign ( resid 64 and name H
)
( resid 61 and name HA
) 3.7 0.7 0.7 volume=6264598.781 peak=374 ppm1=8.594 ppm2=3.633
assign ( resid 64 and name H
)
( resid 63 and name HA
) 3.4 0.7 0.7 volume=10233268.688 peak=375 ppm1=8.598 ppm2=4.069
assign ( resid 64 and name H
)
( resid 64 and name HA
) 3.2 0.6 0.6 volume=14859451.875 peak=376 ppm1=8.592 ppm2=3.931
assign ( resid 29 and name H
)
( resid 28 and name HB2
) 2.9 0.6 0.6 volume=28361318.125 peak=377 ppm1=8.754 ppm2=1.926
assign ( resid 29 and name H
)
( resid 30 and name HB#
) 3.0 0.6 0.6 volume=25187030.750 peak=378 ppm1=8.744 ppm2=1.612
assign ( resid 90 and name H
)
( resid 90 and name HB3
) 2.9 0.6 0.6 volume=31199831.125 peak=379 ppm1=8.762 ppm2=2.169
assign ( resid 90 and name H
)
( resid 89 and name HB#
) 3.0 0.6 0.6 volume=22551427.031 peak=380 ppm1=8.767 ppm2=1.637
assign ( resid 90 and name H
)
( resid 90 and name HD2#
) 3.0 0.6 0.6 volume=24138169.969 peak=381 ppm1=8.767 ppm2=0.968
assign ( resid 66 and name H
)
( resid 65 and name HB2
) 3.2 0.6 0.6 volume=17256357.688 peak=382 ppm1=8.820 ppm2=2.055
assign ( resid 66 and name H
)
( resid 66 and name HB2
) 3.1 0.6 0.6 volume=17860495.219 peak=383 ppm1=8.820 ppm2=3.009
assign ( resid 66 and name H
)
( resid 66 and name HB3
) 3.4 0.7 0.7 volume=10187329.375 peak=384 ppm1=8.819 ppm2=2.827
assign ( resid 66 and name H
)
( resid 63 and name HA
) 3.2 0.6 0.6 volume=16346682.594 peak=385 ppm1=8.818 ppm2=4.078
assign ( resid 17 and name H
)
( resid 17 and name HA
) 2.6 0.5 0.5 volume=52761212.000 peak=386 ppm1=8.837 ppm2=4.630
assign ( resid 17 and name H
)
( resid 17 and name HB3
) 3.4 0.7 0.7 volume=10735371.688 peak=387 ppm1=8.826 ppm2=4.374
assign ( resid 17 and name H
)
( resid 17 and name HB2
) 3.1 0.6 0.6 volume=19914944.375 peak=388 ppm1=8.836 ppm2=3.991
assign ( resid 17 and name H
)
( resid 20 and name HB3
) 3.0 0.6 0.6 volume=25446998.125 peak=389 ppm1=8.835 ppm2=2.401
assign ( resid 17 and name H
)
( resid 20 and name HB2
) 3.5 0.7 0.7 volume=9748121.906 peak=390 ppm1=8.838 ppm2=2.042
assign ( resid 17 and name H
)
( resid 16 and name HB3
) 3.3 0.7 0.7 volume=13157992.719 peak=391 ppm1=8.835 ppm2=1.607
assign ( resid 17 and name H
)
( resid 16 and name HD2#
) 3.1 0.6 0.6 volume=18221398.188 peak=392 ppm1=8.836 ppm2=0.774
assign ( resid 91 and name H
)
( resid 91 and name HG2#
) 3.1 0.6 0.6 volume=20557994.844 peak=393 ppm1=8.882 ppm2=1.003
assign ( resid 91 and name H
)
( resid 90 and name HB3
) 3.4 0.7 0.7 volume=11014079.406 peak=394 ppm1=8.883 ppm2=2.151
assign ( resid 91 and name H
)
( resid 90 and name HB2
) 3.5 0.7 0.7 volume=8795069.344 peak=395 ppm1=8.881 ppm2=1.932
assign ( resid 91 and name H
)
( resid 91 and name HA
) 3.4 0.7 0.7 volume=11736130.719 peak=396 ppm1=8.882 ppm2=3.458
assign ( resid 91 and name H
)
( resid 91 and name HB
) 3.0 0.6 0.6 volume=24705958.688 peak=397 ppm1=8.880 ppm2=4.341
assign ( resid 91 and name H
)
( resid 88 and name HA
) 3.8 0.8 0.8 volume=5781894.000 peak=398 ppm1=8.880 ppm2=4.171
assign ( resid 88 and name H
)
( resid 47 and name HB3
) 3.8 0.8 0.8 volume=5254687.234 peak=399 ppm1=8.986 ppm2=2.376
assign ( resid 43 and name H
)
( resid 43 and name HB3
) 3.0 0.6 0.6 volume=22193372.062 peak=400 ppm1=9.011 ppm2=1.979
assign ( resid 95 and name H
)
( resid 94 and name HB3
) 3.5 0.7 0.7 volume=8505558.250 peak=401 ppm1=8.570 ppm2=1.124
assign ( resid 95 and name H
)
( resid 25 and name HD1#
) 3.0 0.6 0.6 volume=21972869.812 peak=402 ppm1=8.567 ppm2=0.769
assign ( resid 95 and name H
)
( resid 94 and name HB2
) 3.3 0.7 0.7 volume=13058776.938 peak=403 ppm1=8.569 ppm2=1.976
assign ( resid 94 and name H
)
( resid 94 and name HB3
) 3.4 0.7 0.7 volume=10679583.797 peak=404 ppm1=8.511 ppm2=1.122
assign ( resid 94 and name H
)
( resid 91 and name HG2#
) 3.5 0.7 0.7 volume=8672280.547 peak=405 ppm1=8.510 ppm2=0.984
assign ( resid 94 and name H
)
( resid 94 and name HD1#
) 3.0 0.6 0.6 volume=25102743.375 peak=406 ppm1=8.510 ppm2=0.727
assign ( resid 19 and name H
)
( resid 19 and name HG2
) 3.2 0.6 0.6 volume=15675214.938 peak=407 ppm1=8.503 ppm2=2.420
assign ( resid 19 and name H
)
( resid 19 and name HB3
) 2.7 0.5 0.5 volume=48796163.250 peak=408 ppm1=8.506 ppm2=2.029
assign ( resid 94 and name H
)
( resid 93 and name HB3
) 3.5 0.7 0.7 volume=9746203.781 peak=409 ppm1=8.511 ppm2=2.815
assign ( resid 19 and name H
)
( resid 19 and name HA
) 3.1 0.6 0.6 volume=18169916.281 peak=410 ppm1=8.497 ppm2=3.982
assign ( resid 94 and name H
)
( resid 93 and name HA
) 3.9 0.8 0.8 volume=4885335.672 peak=411 ppm1=8.515 ppm2=4.187
assign ( resid 19 and name H
)
( resid 18 and name HA
) 3.8 0.8 0.8 volume=5278414.469 peak=412 ppm1=8.496 ppm2=4.372
assign ( resid 94 and name H
)
( resid 93 and name HD2
) 4.0 0.8 0.8 volume=4009844.828 peak=413 ppm1=8.513 ppm2=5.990
assign ( resid 94 and name H
)
( resid 93 and name H
) 3.1 0.6 0.6 volume=18937171.219 peak=414 ppm1=8.505 ppm2=7.802
assign ( resid 60 and name H
)
( resid 60 and name HB
) 3.4 0.7 0.7 volume=11534282.125 peak=415 ppm1=8.844 ppm2=4.116
assign ( resid 73 and name H
)
( resid 72 and name HG2#
) 4.0 0.8 0.8 volume=3929115.441 peak=416 ppm1=8.156 ppm2=1.106
assign ( resid 58 and name H
)
( resid 58 and name HB3
) 4.3 0.9 0.9 volume=2713639.762 peak=417 ppm1=8.601 ppm2=3.939
assign ( resid 58 and name H
)
( resid 57 and name HB3
) 4.3 0.9 0.9 volume=2556253.789 peak=418 ppm1=8.603 ppm2=3.201
assign ( resid 86 and name H
)
( resid 51 and name HD#
) 4.2 0.8 0.8 volume=2961223.781 peak=419 ppm1=7.379 ppm2=7.060
assign ( resid 86 and name H
)
( resid 85 and name HD3
) 4.5 0.9 0.9 volume=2144759.992 peak=420 ppm1=7.366 ppm2=3.335
assign ( resid 72 and name H
)
( resid 73 and name HA2
) 4.2 0.8 0.8 volume=3125226.680 peak=421 ppm1=7.871 ppm2=3.810
assign ( resid 55 and name H
)
( resid 51 and name HB3
or resid 53 and name HB3
) 4.3 0.9 0.9 volume=2552773.785 peak=422 ppm1=7.418 ppm2=2.733
assign ( resid 82 and name H
)
( resid 81 and name HG2#
) 4.4 0.9 0.9 volume=2486693.334 peak=423 ppm1=7.475 ppm2=0.217
assign ( resid 14 and name HD21
)
( resid 10 and name HA
or resid 15 and name HA2
) 4.3 0.9 0.9 volume=2499070.801 peak=424 ppm1=6.982 ppm2=3.918
assign ( resid 14 and name HD22
)
( resid 11 and name HB#
) 4.2 0.8 0.8 volume=3138963.422 peak=425 ppm1=7.681 ppm2=1.469
assign ( resid 14 and name HD21
)
( resid 11 and name HB#
) 4.5 0.9 0.9 volume=2059629.113 peak=426 ppm1=6.991 ppm2=1.465
assign ( resid 71 and name HD21
)
( resid 71 and name H
) 4.4 0.9 0.9 volume=2438210.066 peak=427 ppm1=7.222 ppm2=8.176
assign ( resid 66 and name HD22
)
( resid 66 and name H
) 4.3 0.9 0.9 volume=2860385.965 peak=428 ppm1=7.775 ppm2=8.826
assign ( resid 66 and name HD21
)
( resid 66 and name HD22
) 2.4 0.5 0.5 volume=79888864.000 peak=430 ppm1=6.892 ppm2=7.778
assign ( resid 65 and name HE
)
( resid 65 and name HB3
) 4.1 0.8 0.8 volume=3386705.719 peak=431 ppm1=6.801 ppm2=2.068
assign ( resid 65 and name HE
)
( resid 65 and name HB2
) 4.2 0.8 0.8 volume=3283076.203 peak=432 ppm1=6.812 ppm2=2.008
assign ( resid 65 and name HE
)
( resid 65 and name HG2
) 4.0 0.8 0.8 volume=3857201.078 peak=433 ppm1=6.807 ppm2=1.898
assign ( resid 65 and name HE
)
( resid 65 and name HD3
) 3.9 0.8 0.8 volume=4753656.219 peak=434 ppm1=6.809 ppm2=2.977
assign ( resid 72 and name H
)
( resid 72 and name HA
) 3.0 0.6 0.6 volume=25523272.062 peak=435 ppm1=7.876 ppm2=4.491
assign ( resid 38 and name H
)
( resid 37 and name HB2
) 4.4 0.9 0.9 volume=2211734.332 peak=436 ppm1=7.707 ppm2=1.493
assign ( resid 71 and name H
)
( resid 71 and name HB3
) 3.1 0.6 0.6 volume=17706772.469 peak=437 ppm1=8.168 ppm2=2.732
assign ( resid 71 and name H
)
( resid 67 and name HG2#
) 4.1 0.8 0.8 volume=3380922.273 peak=438 ppm1=8.162 ppm2=1.256
assign ( resid 7 and name H
)
( resid 10 and name HB#
) 4.1 0.8 0.8 volume=3530021.500 peak=439 ppm1=7.957 ppm2=1.469
assign ( resid 7 and name H
)
( resid 7 and name HG2#
) 3.1 0.6 0.6 volume=20267389.719 peak=440 ppm1=7.958 ppm2=1.187
assign ( resid 44 and name H
)
( resid 43 and name HA
) 3.3 0.7 0.7 volume=12920077.688 peak=441 ppm1=8.044 ppm2=4.047
assign ( resid 44 and name H
)
( resid 43 and name HG2
) 4.0 0.8 0.8 volume=4000884.773 peak=442 ppm1=8.039 ppm2=2.238
assign ( resid 44 and name H
)
( resid 43 and name HB3
) 3.5 0.7 0.7 volume=9784561.719 peak=443 ppm1=8.038 ppm2=1.977
assign ( resid 35 and name H
)
( resid 45 and name HD1#
) 4.2 0.8 0.8 volume=3299665.021 peak=444 ppm1=8.053 ppm2=0.700
assign ( resid 35 and name H
)
( resid 32 and name HA
) 3.3 0.7 0.7 volume=12093941.969 peak=445 ppm1=8.060 ppm2=4.083
assign ( resid 35 and name H
)
( resid 35 and name HA
) 3.0 0.6 0.6 volume=21947996.188 peak=446 ppm1=8.064 ppm2=3.865
assign ( resid 35 and name H
)
( resid 34 and name HB#
) 3.0 0.6 0.6 volume=23991514.562 peak=447 ppm1=8.064 ppm2=1.301
assign ( resid 35 and name H
)
( resid 35 and name HG2#
) 3.1 0.6 0.6 volume=20968461.000 peak=448 ppm1=8.065 ppm2=1.218
assign ( resid 35 and name H
)
( resid 36 and name HG1#
) 4.2 0.8 0.8 volume=3173867.633 peak=449 ppm1=8.058 ppm2=0.947
assign ( resid 48 and name H
)
( resid 47 and name HA
) 4.2 0.8 0.8 volume=2908268.783 peak=450 ppm1=7.546 ppm2=4.142
assign ( resid 48 and name H
)
( resid 47 and name HB3
) 4.2 0.8 0.8 volume=3018469.924 peak=451 ppm1=7.551 ppm2=2.348
assign ( resid 4 and name H
)
( resid 3 and name HA
) 3.5 0.7 0.7 volume=9205585.938 peak=452 ppm1=8.395 ppm2=4.306
assign ( resid 4 and name H
)
( resid 4 and name HB2
) 4.2 0.8 0.8 volume=2968714.797 peak=453 ppm1=8.399 ppm2=3.803
assign ( resid 4 and name H
)
( resid 2 and name HB#
) 4.1 0.8 0.8 volume=3406413.445 peak=454 ppm1=8.393 ppm2=1.371
assign ( resid 13 and name H
)
( resid 13 and name HA
) 3.0 0.6 0.6 volume=23598133.688 peak=457 ppm1=8.143 ppm2=4.084
assign ( resid 13 and name H
)
( resid 10 and name HA
) 3.7 0.7 0.7 volume=6156071.031 peak=458 ppm1=8.143 ppm2=3.883
assign ( resid 13 and name H
)
( resid 14 and name HB2
) 3.9 0.8 0.8 volume=4773058.859 peak=459 ppm1=8.141 ppm2=2.815
assign ( resid 13 and name H
)
( resid 13 and name HB3
) 2.6 0.5 0.5 volume=54598059.625 peak=460 ppm1=8.143 ppm2=1.948
assign ( resid 13 and name H
)
( resid 13 and name HB2
) 3.2 0.6 0.6 volume=15193513.312 peak=461 ppm1=8.144 ppm2=1.342
assign ( resid 13 and name H
)
( resid 13 and name HD2#
) 2.9 0.6 0.6 volume=28416039.562 peak=462 ppm1=8.144 ppm2=0.765
assign ( resid 19 and name H
)
( resid 21 and name H
) 4.3 0.9 0.9 volume=2531459.445 peak=463 ppm1=8.515 ppm2=9.140
assign ( resid 52 and name H
)
( resid 54 and name HD2#
) 4.4 0.9 0.9 volume=2322876.525 peak=464 ppm1=9.137 ppm2=0.682
assign ( resid 66 and name H
)
( resid 65 and name HG3
) 4.4 0.9 0.9 volume=2451743.691 peak=465 ppm1=8.825 ppm2=1.316
assign ( resid 66 and name H
)
( resid 65 and name HG2
) 3.9 0.8 0.8 volume=4785192.281 peak=466 ppm1=8.821 ppm2=1.864
assign ( resid 66 and name H
)
( resid 65 and name HA
) 4.3 0.9 0.9 volume=2739148.703 peak=467 ppm1=8.824 ppm2=3.645
assign ( resid 66 and name HD21
)
( resid 66 and name H
) 4.2 0.8 0.8 volume=3257435.398 peak=468 ppm1=6.887 ppm2=8.811
assign ( resid 90 and name H
)
( resid 92 and name H
) 4.2 0.8 0.8 volume=3210007.242 peak=469 ppm1=8.770 ppm2=7.791
assign ( resid 90 and name H
)
( resid 51 and name HZ
) 4.5 0.9 0.9 volume=2027128.021 peak=470 ppm1=8.755 ppm2=6.830
assign ( resid 67 and name H
)
( resid 64 and name HD2#
) 3.8 0.8 0.8 volume=5782599.688 peak=472 ppm1=8.522 ppm2=0.737
assign ( resid 67 and name H
)
( resid 67 and name HG2#
) 3.5 0.7 0.7 volume=9410936.969 peak=473 ppm1=8.520 ppm2=1.244
assign ( resid 67 and name H
)
( resid 66 and name HB2
) 3.5 0.7 0.7 volume=9189929.438 peak=474 ppm1=8.519 ppm2=3.012
assign ( resid 67 and name H
)
( resid 66 and name HB3
) 3.6 0.7 0.7 volume=7718732.000 peak=475 ppm1=8.520 ppm2=2.828
assign ( resid 67 and name H
)
( resid 67 and name HB
) 2.9 0.6 0.6 volume=26877976.438 peak=476 ppm1=8.520 ppm2=4.242
assign ( resid 67 and name H
)
( resid 67 and name HA
) 3.0 0.6 0.6 volume=22977054.062 peak=477 ppm1=8.518 ppm2=4.072
assign ( resid 67 and name H
)
( resid 64 and name HA
) 4.0 0.8 0.8 volume=4314744.812 peak=478 ppm1=8.520 ppm2=3.925
assign ( resid 29 and name H
)
( resid 31 and name H
) 3.6 0.7 0.7 volume=4721151.965 peak=479 ppm1=8.737 ppm2=8.554
assign ( resid 31 and name H
)
( resid 31 and name HA
) 2.9 0.6 0.6 volume=30974684.500 peak=481 ppm1=8.530 ppm2=3.994
assign ( resid 31 and name H
)
( resid 42 and name HB2
) 3.9 0.8 0.8 volume=4856722.484 peak=482 ppm1=8.529 ppm2=2.081
assign ( resid 31 and name H
)
( resid 42 and name HG2
) 4.2 0.8 0.8 volume=3263304.363 peak=483 ppm1=8.533 ppm2=1.948
assign ( resid 31 and name H
)
( resid 31 and name HB#
) 2.5 0.5 0.5 volume=67572821.500 peak=484 ppm1=8.529 ppm2=1.496
assign ( resid 31 and name H
)
( resid 34 and name HB#
) 3.6 0.7 0.7 volume=7208207.859 peak=485 ppm1=8.528 ppm2=1.296
assign ( resid 75 and name H
)
( resid 76 and name H
) 4.0 0.8 0.8 volume=4382195.992 peak=486 ppm1=8.501 ppm2=7.836
assign ( resid 75 and name H
)
( resid 75 and name HA
) 3.4 0.7 0.7 volume=11156938.953 peak=488 ppm1=8.497 ppm2=4.568
assign ( resid 75 and name H
)
( resid 74 and name HA
) 2.7 0.5 0.5 volume=41011886.062 peak=489 ppm1=8.499 ppm2=4.250
assign ( resid 75 and name H
)
( resid 75 and name HB2
) 3.2 0.6 0.6 volume=16175768.438 peak=490 ppm1=8.500 ppm2=2.624
assign ( resid 75 and name H
)
( resid 75 and name HB3
) 3.2 0.6 0.6 volume=16158969.234 peak=491 ppm1=8.499 ppm2=2.466
assign ( resid 75 and name H
)
( resid 74 and name HB2
) 3.5 0.7 0.7 volume=9771861.094 peak=492 ppm1=8.503 ppm2=0.994
assign ( resid 75 and name H
)
( resid 74 and name HD2#
) 3.2 0.6 0.6 volume=16796695.250 peak=493 ppm1=8.504 ppm2=0.697
assign ( resid 3 and name H
)
( resid 3 and name HA
) 3.9 0.8 0.8 volume=4702440.805 peak=494 ppm1=8.577 ppm2=4.269
assign ( resid 11 and name H
)
( resid 10 and name H
) 3.0 0.6 0.6 volume=20880742.688 peak=495 ppm1=7.788 ppm2=8.131
assign ( resid 10 and name H
)
( resid 8 and name HA
) 4.1 0.8 0.8 volume=3394217.219 peak=496 ppm1=8.131 ppm2=4.470
assign ( resid 10 and name H
)
( resid 9 and name HA
) 3.2 0.6 0.6 volume=14521057.031 peak=497 ppm1=8.128 ppm2=4.073
assign ( resid 10 and name H
)
( resid 10 and name HA
) 3.1 0.6 0.6 volume=20013454.469 peak=498 ppm1=8.129 ppm2=3.888
assign ( resid 10 and name H
)
( resid 6 and name HA
) 3.8 0.8 0.8 volume=5392440.016 peak=499 ppm1=8.132 ppm2=4.205
assign ( resid 10 and name H
)
( resid 9 and name HB3
) 3.1 0.6 0.6 volume=17783215.656 peak=500 ppm1=8.129 ppm2=1.903
assign ( resid 10 and name H
)
( resid 10 and name HB#
) 2.6 0.5 0.5 volume=61351674.125 peak=501 ppm1=8.128 ppm2=1.459
assign ( resid 10 and name H
)
( resid 9 and name HD2#
) 3.3 0.7 0.7 volume=14120837.750 peak=502 ppm1=8.128 ppm2=0.838
assign ( resid 69 and name H
)
( resid 70 and name HB3
) 4.5 0.9 0.9 volume=1943595.312 peak=503 ppm1=9.124 ppm2=3.226
assign ( resid 26 and name H
)
( resid 23 and name HB2
) 4.3 0.9 0.9 volume=2599454.219 peak=504 ppm1=9.014 ppm2=2.148
assign ( resid 26 and name H
)
( resid 25 and name HG
) 4.0 0.8 0.8 volume=4384038.812 peak=505 ppm1=9.016 ppm2=1.783
assign ( resid 61 and name H
)
( resid 59 and name HD2#
or resid 62 and name HD1#
) 4.6 0.9 0.9 volume=1858637.967 peak=506 ppm1=8.952 ppm2=0.978
assign ( resid 61 and name H
)
( resid 60 and name HG2#
) 4.0 0.8 0.8 volume=4008476.922 peak=507 ppm1=8.947 ppm2=1.344
assign ( resid 61 and name H
)
( resid 59 and name HA
) 4.3 0.9 0.9 volume=2523383.793 peak=508 ppm1=8.941 ppm2=4.357
assign ( resid 34 and name H
)
( resid 33 and name HB
) 3.0 0.6 0.6 volume=23680767.250 peak=509 ppm1=8.381 ppm2=4.252
assign ( resid 34 and name H
)
( resid 33 and name HG1
) 3.8 0.8 0.8 volume=5637369.156 peak=510 ppm1=8.384 ppm2=4.554
assign ( resid 89 and name H
)
( resid 89 and name HA
) 3.1 0.6 0.6 volume=20960135.500 peak=511 ppm1=8.373 ppm2=4.088
assign ( resid 34 and name H
)
( resid 31 and name HA
) 3.3 0.7 0.7 volume=13724990.844 peak=512 ppm1=8.381 ppm2=4.012
assign ( resid 34 and name H
)
( resid 34 and name HA
) 3.1 0.6 0.6 volume=17655331.938 peak=513 ppm1=8.381 ppm2=3.633
assign ( resid 89 and name H
)
( resid 88 and name HB2
) 3.1 0.6 0.6 volume=17468532.719 peak=514 ppm1=8.372 ppm2=2.832
assign ( resid 89 and name H
)
( resid 89 and name HB#
) 2.8 0.6 0.6 volume=37186455.188 peak=515 ppm1=8.372 ppm2=1.647
assign ( resid 34 and name H
)
( resid 34 and name HB#
) 2.7 0.5 0.5 volume=40662006.562 peak=516 ppm1=8.382 ppm2=1.324
assign ( resid 34 and name H
)
( resid 33 and name HG2#
) 3.7 0.7 0.7 volume=6896287.172 peak=517 ppm1=8.383 ppm2=1.169
assign ( resid 89 and name H
)
( resid 86 and name HG2#
) 3.6 0.7 0.7 volume=7562365.219 peak=518 ppm1=8.375 ppm2=0.957
assign ( resid 8 and name H
)
( resid 7 and name HB
) 3.1 0.6 0.6 volume=18285168.000 peak=519 ppm1=8.310 ppm2=4.228
assign ( resid 8 and name H
)
( resid 7 and name HA
) 3.2 0.6 0.6 volume=16351472.125 peak=520 ppm1=8.310 ppm2=4.061
assign ( resid 8 and name H
)
( resid 9 and name H
) 3.4 0.7 0.7 volume=11305487.266 peak=521 ppm1=8.310 ppm2=8.151
assign ( resid 8 and name H
)
( resid 8 and name HB2
) 2.9 0.6 0.6 volume=28373591.750 peak=522 ppm1=8.310 ppm2=2.700
assign ( resid 8 and name H
)
( resid 11 and name HB#
) 3.8 0.8 0.8 volume=5417863.375 peak=523 ppm1=8.306 ppm2=1.472
assign ( resid 8 and name H
)
( resid 7 and name HG2#
) 3.6 0.7 0.7 volume=8222285.953 peak=524 ppm1=8.310 ppm2=1.197
assign ( resid 68 and name H
)
( resid 68 and name HB2
) 3.3 0.7 0.7 volume=13993300.062 peak=525 ppm1=8.291 ppm2=1.904
assign ( resid 6 and name H
)
( resid 6 and name HB#
) 2.6 0.5 0.5 volume=54945328.875 peak=526 ppm1=8.247 ppm2=1.308
assign ( resid 32 and name H
)
( resid 31 and name HB#
) 2.6 0.5 0.5 volume=57490928.250 peak=527 ppm1=8.272 ppm2=1.478
assign ( resid 68 and name H
)
( resid 68 and name HB3
) 3.3 0.7 0.7 volume=13436900.438 peak=528 ppm1=8.290 ppm2=1.015
assign ( resid 68 and name H
)
( resid 68 and name HG
) 2.9 0.6 0.6 volume=28648588.750 peak=529 ppm1=8.290 ppm2=0.722
assign ( resid 32 and name H
)
( resid 32 and name HB#
) 2.6 0.5 0.5 volume=56658343.750 peak=530 ppm1=8.270 ppm2=1.368
assign ( resid 68 and name H
)
( resid 65 and name HA
) 3.8 0.8 0.8 volume=5356806.594 peak=531 ppm1=8.287 ppm2=3.622
assign ( resid 6 and name H
)
( resid 6 and name HA
) 2.9 0.6 0.6 volume=28183942.812 peak=532 ppm1=8.244 ppm2=4.190
assign ( resid 68 and name H
)
( resid 68 and name HA
) 2.8 0.6 0.6 volume=37964779.312 peak=533 ppm1=8.281 ppm2=4.105
assign ( resid 68 and name H
)
( resid 67 and name HB
) 3.0 0.6 0.6 volume=21692846.156 peak=534 ppm1=8.292 ppm2=4.235
assign ( resid 5 and name H
)
( resid 4 and name HB2
) 4.1 0.8 0.8 volume=3349782.531 peak=535 ppm1=8.456 ppm2=3.861
assign ( resid 30 and name H
)
( resid 27 and name HG2#
) 4.2 0.8 0.8 volume=3124365.594 peak=536 ppm1=8.640 ppm2=1.279
assign ( resid 46 and name H
)
( resid 45 and name HB
) 4.3 0.9 0.9 volume=2629142.371 peak=537 ppm1=8.213 ppm2=2.163
assign ( resid 46 and name H
)
( resid 49 and name HG2#
) 4.2 0.8 0.8 volume=2996424.938 peak=538 ppm1=8.225 ppm2=1.301
assign ( resid 46 and name H
)
( resid 46 and name HA
) 3.3 0.7 0.7 volume=13977128.359 peak=539 ppm1=8.222 ppm2=4.816
assign ( resid 102 and name H
)
( resid 102 and name HB3
) 4.2 0.8 0.8 volume=3175406.126 peak=540 ppm1=7.996 ppm2=3.115
assign ( resid 76 and name H
)
( resid 74 and name HA
) 4.3 0.9 0.9 volume=2580847.895 peak=541 ppm1=7.867 ppm2=4.268
assign ( resid 76 and name H
)
( resid 75 and name HB2
) 4.5 0.9 0.9 volume=2139297.895 peak=542 ppm1=7.870 ppm2=2.626
assign ( resid 25 and name H
)
( resid 26 and name H
) 3.2 0.6 0.6 volume=16437489.000 peak=543 ppm1=7.885 ppm2=9.030
assign ( resid 70 and name H
)
( resid 69 and name H
) 3.2 0.6 0.6 volume=14853399.219 peak=544 ppm1=7.877 ppm2=9.121
assign ( resid 25 and name H
)
( resid 24 and name HA
) 4.1 0.8 0.8 volume=3328573.156 peak=545 ppm1=7.888 ppm2=3.877
assign ( resid 70 and name H
)
( resid 70 and name HA
) 2.7 0.5 0.5 volume=43187972.125 peak=546 ppm1=7.877 ppm2=4.274
assign ( resid 25 and name H
)
( resid 25 and name HA
) 2.9 0.6 0.6 volume=25974643.125 peak=547 ppm1=7.881 ppm2=4.095
assign ( resid 25 and name H
)
( resid 25 and name HB2
) 3.1 0.6 0.6 volume=18983358.781 peak=548 ppm1=7.886 ppm2=1.923
assign ( resid 100 and name H
)
( resid 96 and name HG2#
) 4.4 0.9 0.9 volume=2423250.102 peak=549 ppm1=7.695 ppm2=1.122
assign ( resid 100 and name H
)
( resid 100 and name HB3
) 2.9 0.6 0.6 volume=28512100.562 peak=550 ppm1=7.694 ppm2=2.020
assign ( resid 100 and name H
)
( resid 100 and name HG3
) 3.3 0.7 0.7 volume=13345197.844 peak=551 ppm1=7.694 ppm2=2.317
assign ( resid 100 and name H
)
( resid 99 and name HB
) 3.6 0.7 0.7 volume=7687749.438 peak=552 ppm1=7.694 ppm2=4.187
assign ( resid 100 and name H
)
( resid 99 and name HA
) 2.8 0.6 0.6 volume=37046792.000 peak=553 ppm1=7.694 ppm2=4.375
assign ( resid 100 and name H
)
( resid 98 and name H
) 4.3 0.9 0.9 volume=2532004.742 peak=554 ppm1=7.709 ppm2=8.057
assign ( resid 28 and name H
)
( resid 26 and name HB#
) 3.8 0.8 0.8 volume=5523112.648 peak=555 ppm1=7.478 ppm2=1.527
assign ( resid 56 and name H
)
( resid 51 and name HD#
) 4.2 0.8 0.8 volume=2978936.852 peak=556 ppm1=7.550 ppm2=7.091
assign ( resid 14 and name H
)
( resid 12 and name H
) 4.6 0.9 0.9 volume=1901084.423 peak=557 ppm1=7.525 ppm2=7.930
assign ( resid 49 and name H
)
( resid 48 and name HA
) 3.3 0.7 0.7 volume=14192509.344 peak=558 ppm1=7.479 ppm2=4.386
assign ( resid 49 and name H
)
( resid 49 and name HB
) 2.5 0.5 0.5 volume=68960595.750 peak=559 ppm1=7.479 ppm2=3.923
assign ( resid 49 and name H
)
( resid 49 and name HG2#
) 2.9 0.6 0.6 volume=26551594.875 peak=560 ppm1=7.480 ppm2=1.274
assign ( resid 49 and name H
)
( resid 54 and name HD2#
) 4.1 0.8 0.8 volume=3832292.371 peak=561 ppm1=7.485 ppm2=0.712
assign ( resid 82 and name H
)
( resid 82 and name HA
) 3.3 0.7 0.7 volume=13374049.156 peak=562 ppm1=7.480 ppm2=4.342
assign ( resid 63 and name H
)
( resid 63 and name HA
) 2.8 0.6 0.6 volume=34293941.125 peak=563 ppm1=7.481 ppm2=4.046
assign ( resid 82 and name H
)
( resid 81 and name HA
) 4.3 0.9 0.9 volume=2604352.403 peak=564 ppm1=7.485 ppm2=3.816
assign ( resid 82 and name H
)
( resid 82 and name HB3
) 3.3 0.7 0.7 volume=13825792.625 peak=565 ppm1=7.480 ppm2=3.140
assign ( resid 82 and name H
)
( resid 82 and name HB2
) 3.2 0.6 0.6 volume=15934162.219 peak=566 ppm1=7.479 ppm2=2.908
assign ( resid 63 and name H
)
( resid 63 and name HG3
) 3.4 0.7 0.7 volume=10644349.594 peak=567 ppm1=7.482 ppm2=2.308
assign ( resid 63 and name H
)
( resid 63 and name HB2
) 2.8 0.6 0.6 volume=34584259.250 peak=568 ppm1=7.482 ppm2=2.032
assign ( resid 63 and name H
)
( resid 62 and name HB3
) 3.0 0.6 0.6 volume=22950080.344 peak=569 ppm1=7.481 ppm2=1.808
assign ( resid 63 and name H
)
( resid 36 and name HG1#
) 3.5 0.7 0.7 volume=8471392.734 peak=570 ppm1=7.480 ppm2=0.947
assign ( resid 74 and name H
)
( resid 75 and name H
) 4.2 0.8 0.8 volume=2733082.246 peak=571 ppm1=7.653 ppm2=8.493
assign ( resid 54 and name H
)
( resid 53 and name HA
) 4.0 0.8 0.8 volume=4039177.865 peak=573 ppm1=7.763 ppm2=4.574
assign ( resid 20 and name H
)
( resid 17 and name HA
) 4.3 0.9 0.9 volume=2822320.828 peak=574 ppm1=7.820 ppm2=4.640
assign ( resid 65 and name H
)
( resid 65 and name HA
) 3.3 0.7 0.7 volume=13753357.594 peak=575 ppm1=7.751 ppm2=3.640
assign ( resid 93 and name H
)
( resid 93 and name HB3
) 2.9 0.6 0.6 volume=26374586.500 peak=576 ppm1=7.799 ppm2=2.806
assign ( resid 20 and name H
)
( resid 20 and name HG3
) 2.7 0.5 0.5 volume=47087561.625 peak=577 ppm1=7.817 ppm2=2.404
assign ( resid 93 and name H
)
( resid 92 and name HB3
) 2.7 0.5 0.5 volume=39684460.375 peak=578 ppm1=7.800 ppm2=2.052
assign ( resid 54 and name H
)
( resid 54 and name HB3
) 2.7 0.5 0.5 volume=39301840.625 peak=579 ppm1=7.761 ppm2=2.056
assign ( resid 65 and name H
)
( resid 64 and name HB3
) 3.4 0.7 0.7 volume=10371836.562 peak=580 ppm1=7.742 ppm2=1.812
assign ( resid 11 and name H
)
( resid 11 and name HB#
) 2.3 0.5 0.5 volume=109240336.500 peak=581 ppm1=7.788 ppm2=1.470
assign ( resid 98 and name H
)
( resid 97 and name H
) 3.0 0.6 0.6 volume=22033011.938 peak=582 ppm1=8.052 ppm2=7.759
assign ( resid 93 and name H
)
( resid 93 and name HD2
) 4.0 0.8 0.8 volume=4025543.859 peak=584 ppm1=7.809 ppm2=5.989
assign ( resid 92 and name H
)
( resid 91 and name HB
) 3.1 0.6 0.6 volume=20683240.781 peak=585 ppm1=7.836 ppm2=4.336
assign ( resid 54 and name H
)
( resid 54 and name HA
) 2.9 0.6 0.6 volume=25764243.125 peak=586 ppm1=7.770 ppm2=4.302
assign ( resid 92 and name H
)
( resid 92 and name HA
) 2.9 0.6 0.6 volume=26291805.062 peak=587 ppm1=7.823 ppm2=3.914
assign ( resid 36 and name H
)
( resid 36 and name HA
) 2.7 0.5 0.5 volume=39356668.812 peak=588 ppm1=7.778 ppm2=3.903
assign ( resid 97 and name H
)
( resid 96 and name HA
) 3.3 0.7 0.7 volume=11998844.000 peak=589 ppm1=7.775 ppm2=3.606
assign ( resid 92 and name H
)
( resid 91 and name HA
) 3.9 0.8 0.8 volume=5171423.516 peak=590 ppm1=7.833 ppm2=3.459
assign ( resid 92 and name H
)
( resid 92 and name HG3
) 2.7 0.5 0.5 volume=48609252.625 peak=591 ppm1=7.832 ppm2=2.084
assign ( resid 97 and name H
)
( resid 96 and name HG2#
) 2.8 0.6 0.6 volume=36387928.625 peak=592 ppm1=7.776 ppm2=1.147
assign ( resid 36 and name H
)
( resid 36 and name HG1#
) 2.8 0.6 0.6 volume=38964189.312 peak=593 ppm1=7.780 ppm2=0.946
assign ( resid 54 and name H
)
( resid 54 and name HD2#
) 3.0 0.6 0.6 volume=24584857.000 peak=594 ppm1=7.774 ppm2=0.717
assign ( resid 83 and name H
)
( resid 82 and name HA
) 3.8 0.8 0.8 volume=5359032.969 peak=595 ppm1=7.966 ppm2=4.340
assign ( resid 83 and name H
)
( resid 83 and name HA
) 3.1 0.6 0.6 volume=17819826.188 peak=596 ppm1=7.965 ppm2=3.974
assign ( resid 83 and name H
)
( resid 82 and name HB3
) 3.7 0.7 0.7 volume=7119494.094 peak=597 ppm1=7.965 ppm2=3.144
assign ( resid 83 and name H
)
( resid 82 and name HB2
) 3.5 0.7 0.7 volume=8483150.562 peak=598 ppm1=7.964 ppm2=2.912
assign ( resid 83 and name H
)
( resid 83 and name HB2
) 3.2 0.6 0.6 volume=15104697.938 peak=599 ppm1=7.965 ppm2=2.281
assign ( resid 83 and name H
)
( resid 83 and name HB3
) 3.3 0.7 0.7 volume=12756643.453 peak=600 ppm1=7.964 ppm2=1.844
assign ( resid 13 and name H
)
( resid 12 and name H
) 3.1 0.6 0.6 volume=18535122.406 peak=601 ppm1=8.141 ppm2=7.928
assign ( resid 12 and name H
)
( resid 12 and name HA
) 2.7 0.5 0.5 volume=41165745.500 peak=602 ppm1=7.940 ppm2=4.078
assign ( resid 12 and name H
)
( resid 12 and name HD3
) 4.3 0.9 0.9 volume=2815545.336 peak=603 ppm1=7.934 ppm2=3.139
assign ( resid 12 and name H
)
( resid 12 and name HB3
) 2.7 0.5 0.5 volume=44115255.625 peak=604 ppm1=7.940 ppm2=1.946
assign ( resid 12 and name H
)
( resid 11 and name HB#
) 2.9 0.6 0.6 volume=30953997.250 peak=605 ppm1=7.938 ppm2=1.479
assign ( resid 12 and name H
)
( resid 9 and name HD1#
) 3.6 0.7 0.7 volume=7660279.797 peak=606 ppm1=7.946 ppm2=0.795
assign ( resid 23 and name H
)
( resid 23 and name HA
) 2.8 0.6 0.6 volume=37901444.375 peak=608 ppm1=7.979 ppm2=4.052
assign ( resid 22 and name H
)
( resid 22 and name HA
) 3.4 0.7 0.7 volume=11595355.984 peak=609 ppm1=8.000 ppm2=3.402
assign ( resid 23 and name H
)
( resid 23 and name HG3
) 3.2 0.6 0.6 volume=14823562.719 peak=610 ppm1=7.981 ppm2=2.422
assign ( resid 23 and name H
)
( resid 23 and name HB3
) 2.5 0.5 0.5 volume=62575119.875 peak=611 ppm1=7.985 ppm2=2.084
assign ( resid 23 and name H
)
( resid 13 and name HD2#
) 4.0 0.8 0.8 volume=4420914.367 peak=612 ppm1=7.980 ppm2=0.784
assign ( resid 22 and name H
)
( resid 13 and name HD2#
) 3.9 0.8 0.8 volume=4921809.336 peak=613 ppm1=8.001 ppm2=0.772
assign ( resid 22 and name H
)
( resid 21 and name HB2
) 3.6 0.7 0.7 volume=7228556.992 peak=614 ppm1=7.999 ppm2=1.646
assign ( resid 22 and name H
)
( resid 21 and name HB3
) 3.5 0.7 0.7 volume=8675568.914 peak=615 ppm1=7.999 ppm2=2.666
assign ( resid 22 and name H
)
( resid 19 and name HA
) 3.3 0.7 0.7 volume=12217393.510 peak=616 ppm1=7.987 ppm2=4.022
assign ( resid 98 and name H
)
( resid 97 and name HA
) 3.8 0.8 0.8 volume=5774478.328 peak=617 ppm1=8.058 ppm2=3.891
assign ( resid 98 and name H
)
( resid 95 and name HA
) 3.9 0.8 0.8 volume=5193733.727 peak=618 ppm1=8.054 ppm2=3.775
assign ( resid 98 and name H
)
( resid 98 and name HB3
) 2.7 0.5 0.5 volume=44224146.000 peak=619 ppm1=8.053 ppm2=1.659
assign ( resid 98 and name H
)
( resid 96 and name HG2#
) 3.9 0.8 0.8 volume=4924755.078 peak=620 ppm1=8.050 ppm2=1.140
assign ( resid 98 and name H
)
( resid 98 and name HD1#
) 3.3 0.7 0.7 volume=12930811.594 peak=621 ppm1=8.052 ppm2=0.876
assign ( resid 98 and name H
)
( resid 98 and name HD2#
) 3.1 0.6 0.6 volume=19569064.000 peak=622 ppm1=8.052 ppm2=0.720
assign ( resid 24 and name H
)
( resid 24 and name HG2#
) 3.4 0.7 0.7 volume=10537949.938 peak=623 ppm1=8.143 ppm2=1.036
assign ( resid 24 and name H
)
( resid 13 and name HD2#
or resid 16 and name HD2#
) 3.4 0.7 0.7 volume=10489885.719 peak=624 ppm1=8.148 ppm2=0.763
assign ( resid 24 and name H
)
( resid 23 and name HG2
) 4.1 0.8 0.8 volume=3357057.953 peak=625 ppm1=8.142 ppm2=2.410
assign ( resid 24 and name H
)
( resid 23 and name HB3
) 3.1 0.6 0.6 volume=20567136.000 peak=626 ppm1=8.143 ppm2=2.099
assign ( resid 24 and name H
)
( resid 24 and name HB
) 2.9 0.6 0.6 volume=26701474.062 peak=627 ppm1=8.144 ppm2=4.194
assign ( resid 24 and name H
)
( resid 24 and name HA
) 3.2 0.6 0.6 volume=14711318.688 peak=628 ppm1=8.144 ppm2=3.901
assign ( resid 24 and name H
)
( resid 21 and name HA
) 4.0 0.8 0.8 volume=3929747.312 peak=629 ppm1=8.141 ppm2=3.722
assign ( resid 28 and name H
)
( resid 27 and name H
) 3.1 0.6 0.6 volume=20392086.750 peak=630 ppm1=7.481 ppm2=8.174
assign ( resid 27 and name H
)
( resid 27 and name HB
) 2.7 0.5 0.5 volume=39937959.375 peak=631 ppm1=8.182 ppm2=4.249
assign ( resid 27 and name H
)
( resid 27 and name HA
) 2.9 0.6 0.6 volume=26140158.938 peak=632 ppm1=8.182 ppm2=3.941
assign ( resid 27 and name H
)
( resid 28 and name HB3
) 4.2 0.8 0.8 volume=3152385.199 peak=633 ppm1=8.187 ppm2=1.725
assign ( resid 27 and name H
)
( resid 26 and name HB#
) 2.9 0.6 0.6 volume=28718196.750 peak=634 ppm1=8.182 ppm2=1.511
assign ( resid 27 and name H
)
( resid 27 and name HG2#
) 3.3 0.7 0.7 volume=14150238.812 peak=635 ppm1=8.183 ppm2=1.258
assign ( resid 27 and name H
)
( resid 24 and name HG2#
) 3.8 0.8 0.8 volume=5843527.508 peak=636 ppm1=8.184 ppm2=1.028
assign ( resid 96 and name H
)
( resid 96 and name HG2#
) 3.1 0.6 0.6 volume=17628069.094 peak=637 ppm1=8.237 ppm2=1.145
assign ( resid 96 and name H
)
( resid 25 and name HD1#
or resid 94 and name HD2#
or resid 98 and name HD2#
) 3.7 0.7 0.7 volume=6846907.750 peak=638 ppm1=8.237 ppm2=0.762
assign ( resid 96 and name H
)
( resid 92 and name HB2
) 4.4 0.9 0.9 volume=2358157.980 peak=639 ppm1=8.233 ppm2=1.983
assign ( resid 96 and name H
)
( resid 95 and name HB2
) 3.4 0.7 0.7 volume=11420089.781 peak=640 ppm1=8.235 ppm2=2.912
assign ( resid 96 and name H
)
( resid 95 and name HB3
) 3.2 0.6 0.6 volume=15762129.188 peak=641 ppm1=8.237 ppm2=3.248
assign ( resid 96 and name H
)
( resid 96 and name HA
) 3.2 0.6 0.6 volume=16514519.000 peak=642 ppm1=8.237 ppm2=3.618
assign ( resid 96 and name H
)
( resid 96 and name HB
) 2.8 0.6 0.6 volume=33307775.438 peak=643 ppm1=8.237 ppm2=4.176
assign ( resid 96 and name H
)
( resid 92 and name HA
) 3.6 0.7 0.7 volume=7404678.125 peak=644 ppm1=8.238 ppm2=3.918
assign ( resid 96 and name H
)
( resid 97 and name H
) 3.3 0.7 0.7 volume=14263695.844 peak=645 ppm1=8.239 ppm2=7.765
assign ( resid 101 and name H
)
( resid 101 and name HA
) 3.5 0.7 0.7 volume=9158443.047 peak=646 ppm1=8.306 ppm2=4.359
assign ( resid 101 and name H
)
( resid 101 and name HB2
) 4.1 0.8 0.8 volume=3569141.465 peak=647 ppm1=8.304 ppm2=3.794
assign ( resid 33 and name H
)
( resid 64 and name HD2#
) 3.2 0.6 0.6 volume=14584277.781 peak=648 ppm1=8.157 ppm2=0.722
assign ( resid 33 and name H
)
( resid 32 and name HB#
) 3.1 0.6 0.6 volume=18997721.125 peak=649 ppm1=8.156 ppm2=1.361
assign ( resid 33 and name H
)
( resid 33 and name HG2#
) 3.5 0.7 0.7 volume=8890794.828 peak=650 ppm1=8.156 ppm2=1.194
assign ( resid 33 and name H
)
( resid 29 and name HG2#
) 4.2 0.8 0.8 volume=3312085.016 peak=651 ppm1=8.146 ppm2=1.039
assign ( resid 33 and name H
)
( resid 33 and name HA
) 3.4 0.7 0.7 volume=11434899.438 peak=652 ppm1=8.157 ppm2=3.614
assign ( resid 33 and name H
)
( resid 33 and name HB
) 3.1 0.6 0.6 volume=19838733.031 peak=653 ppm1=8.156 ppm2=4.253
assign ( resid 33 and name H
)
( resid 33 and name HG1
) 2.9 0.6 0.6 volume=28767318.438 peak=654 ppm1=8.158 ppm2=4.556
assign ( resid 33 and name H
)
( resid 30 and name HA
) 3.7 0.7 0.7 volume=6996248.219 peak=655 ppm1=8.153 ppm2=3.966
assign ( resid 33 and name H
)
( resid 34 and name H
) 3.3 0.7 0.7 volume=13926452.719 peak=656 ppm1=8.161 ppm2=8.364
assign ( resid 57 and name H
)
( resid 57 and name HB3
) 4.3 0.9 0.9 volume=2640611.682 peak=657 ppm1=7.978 ppm2=3.191
assign ( resid 86 and name H
)
( resid 84 and name HA
) 4.0 0.8 0.8 volume=3869283.055 peak=658 ppm1=7.374 ppm2=4.911
assign ( resid 27 and name H
)
( resid 25 and name HB2
) 3.9 0.8 0.8 volume=4858049.320 peak=659 ppm1=8.184 ppm2=1.947
assign ( resid 43 and name H
)
( resid 42 and name HD2
) 4.3 0.9 0.9 volume=2559519.477 peak=660 ppm1=9.013 ppm2=3.876
assign ( resid 22 and name H
)
( resid 22 and name HB3
) 2.6 0.5 0.5 volume=53959654.875 peak=661 ppm1=7.996 ppm2=2.013
assign ( resid 23 and name H
)
( resid 26 and name HB#
) 3.8 0.8 0.8 volume=5441375.867 peak=662 ppm1=7.994 ppm2=1.496
assign ( resid 16 and name H
)
( resid 17 and name H
) 4.3 0.9 0.9 volume=1994258.172 peak=663 ppm1=7.353 ppm2=8.847
assign ( resid 67 and name H
)
( resid 68 and name HB3
) 4.3 0.9 0.9 volume=2517522.781 peak=664 ppm1=8.523 ppm2=0.981
assign ( resid 67 and name H
)
( resid 65 and name H
) 3.6 0.7 0.7 volume=7914817.578 peak=665 ppm1=8.517 ppm2=7.780
# Restraints file 2: mH0ACPb_cnoesy.tbl
assign ( resid 56 and name HG12
)
( resid 56 and name HA
) 3.9 0.8 0.8 volume=77383997.000 peak=1 ppm1=1.349 ppm2=3.977
assign ( resid 64 and name HG
)
( resid 64 and name H
) 4.1 0.8 0.8 volume=58378556.938 peak=2 ppm1=1.218 ppm2=8.582
assign ( resid 64 and name HG
)
( resid 61 and name HA
) 4.0 0.8 0.8 volume=71685898.406 peak=4 ppm1=1.226 ppm2=3.613
assign ( resid 9 and name HD1#
)
( resid 9 and name HA
) 2.5 0.5 0.5 volume=1121495672.000 peak=5 ppm1=0.825 ppm2=4.057
assign ( resid 9 and name HD1#
)
( resid 12 and name H
) 3.7 0.7 0.7 volume=99293585.812 peak=6 ppm1=0.823 ppm2=7.916
assign ( resid 9 and name HD1#
)
( resid 10 and name H
) 3.1 0.6 0.6 volume=336886492.000 peak=7 ppm1=0.825 ppm2=8.138
assign ( resid 9 and name HD1#
)
( resid 71 and name HA
) 4.1 0.8 0.8 volume=58237377.625 peak=8 ppm1=0.823 ppm2=4.471
assign ( resid 6 and name HA
)
( resid 9 and name HD1#
) 3.4 0.7 0.7 volume=97687309.938 peak=9 ppm1=4.197 ppm2=0.839
assign ( resid 9 and name HG
)
( resid 9 and name HD1#
) 2.4 0.5 0.5 volume=1051281984.000 peak=14 ppm1=1.486 ppm2=0.838
assign ( resid 95 and name HD2
)
( resid 25 and name HD1#
) 3.0 0.6 0.6 volume=363611868.500 peak=15 ppm1=6.545 ppm2=0.783
assign ( resid 95 and name HD2
)
( resid 22 and name HB3
) 4.3 0.9 0.9 volume=40303151.719 peak=16 ppm1=6.543 ppm2=2.036
assign ( resid 95 and name HD2
)
( resid 22 and name HB2
) 4.2 0.8 0.8 volume=49965274.000 peak=17 ppm1=6.547 ppm2=1.930
assign ( resid 95 and name HD2
)
( resid 22 and name HG2
) 4.3 0.9 0.9 volume=44690775.875 peak=18 ppm1=6.542 ppm2=1.773
assign ( resid 95 and name HD2
)
( resid 95 and name HA
) 3.3 0.7 0.7 volume=216035427.250 peak=20 ppm1=6.545 ppm2=3.757
assign ( resid 95 and name HD2
)
( resid 22 and name HA
) 4.3 0.9 0.9 volume=41371252.750 peak=21 ppm1=6.544 ppm2=3.407
assign ( resid 95 and name HD2
)
( resid 95 and name HB3
) 4.2 0.8 0.8 volume=50005019.625 peak=22 ppm1=6.547 ppm2=3.247
assign ( resid 95 and name HD2
)
( resid 95 and name HB2
) 3.9 0.8 0.8 volume=76759361.500 peak=23 ppm1=6.546 ppm2=2.911
assign ( resid 21 and name HB3
)
( resid 95 and name HD2
) 4.0 0.8 0.8 volume=71512449.875 peak=24 ppm1=2.662 ppm2=6.541
assign ( resid 102 and name HB3
)
( resid 102 and name HD2
) 4.2 0.8 0.8 volume=31836820.408 peak=26 ppm1=3.121 ppm2=7.000
assign ( resid 102 and name HB2
)
( resid 102 and name HD2
) 4.0 0.8 0.8 volume=48116520.375 peak=27 ppm1=2.987 ppm2=6.993
assign ( resid 70 and name HD2
)
( resid 70 and name HB2
) 3.7 0.7 0.7 volume=110250032.500 peak=28 ppm1=6.966 ppm2=3.268
assign ( resid 40 and name HD2
)
( resid 40 and name HB2
) 4.1 0.8 0.8 volume=60129835.125 peak=29 ppm1=6.891 ppm2=3.176
assign ( resid 40 and name HD2
)
( resid 40 and name HB3
) 3.8 0.8 0.8 volume=85489549.250 peak=30 ppm1=6.891 ppm2=3.013
assign ( resid 39 and name HD2
)
( resid 39 and name HB2
) 3.8 0.8 0.8 volume=84123943.750 peak=31 ppm1=6.808 ppm2=3.034
assign ( resid 88 and name HD2
)
( resid 88 and name HB2
) 3.7 0.7 0.7 volume=99009668.875 peak=32 ppm1=6.849 ppm2=2.826
assign ( resid 70 and name HD2
)
( resid 67 and name HG2#
) 4.3 0.9 0.9 volume=41183090.250 peak=33 ppm1=6.966 ppm2=1.247
assign ( resid 40 and name HD2
)
( resid 31 and name HB#
) 4.5 0.9 0.9 volume=31612543.438 peak=34 ppm1=6.894 ppm2=1.494
assign ( resid 40 and name HD2
)
( resid 34 and name HB#
) 4.3 0.9 0.9 volume=44125844.250 peak=35 ppm1=6.891 ppm2=1.303
assign ( resid 40 and name HD2
)
( resid 35 and name HG2#
) 4.4 0.9 0.9 volume=35435859.688 peak=36 ppm1=6.890 ppm2=1.174
assign ( resid 88 and name HD2
)
( resid 89 and name HB#
) 4.0 0.8 0.8 volume=44958684.750 peak=37 ppm1=6.851 ppm2=1.644
assign ( resid 39 and name HD2
)
( resid 37 and name HB3
) 4.0 0.8 0.8 volume=70331062.500 peak=38 ppm1=6.807 ppm2=1.290
assign ( resid 84 and name HD2
)
( resid 89 and name HB#
) 4.5 0.9 0.9 volume=31847091.875 peak=41 ppm1=6.711 ppm2=1.640
assign ( resid 84 and name HB2
)
( resid 84 and name HD2
) 3.8 0.8 0.8 volume=84165583.250 peak=42 ppm1=2.304 ppm2=6.712
assign ( resid 90 and name HB3
)
( resid 51 and name HZ
) 4.0 0.8 0.8 volume=62496195.625 peak=46 ppm1=2.159 ppm2=6.831
assign ( resid 82 and name HZ
)
( resid 61 and name HB#
) 3.9 0.8 0.8 volume=75369692.375 peak=51 ppm1=7.081 ppm2=1.177
assign ( resid 82 and name HZ
)
( resid 58 and name HA
) 4.2 0.8 0.8 volume=49961458.938 peak=52 ppm1=7.077 ppm2=4.102
assign ( resid 82 and name HZ
)
( resid 82 and name HE#
) 2.8 0.6 0.6 volume=592984803.000 peak=53 ppm1=7.080 ppm2=7.215
assign ( resid 82 and name HD#
)
( resid 82 and name HE#
) 2.1 0.4 0.4 volume=2759466468.000 peak=54 ppm1=7.108 ppm2=7.224
assign ( resid 82 and name HE#
)
( resid 82 and name HA
) 4.1 0.8 0.8 volume=61033427.906 peak=56 ppm1=7.227 ppm2=4.330
assign ( resid 79 and name HA
)
( resid 82 and name HD#
) 3.4 0.7 0.7 volume=90060365.625 peak=59 ppm1=4.192 ppm2=7.108
assign ( resid 82 and name HD#
)
( resid 82 and name HB3
) 3.4 0.7 0.7 volume=114842731.250 peak=60 ppm1=7.108 ppm2=3.130
assign ( resid 82 and name HB3
)
( resid 82 and name HE#
) 4.0 0.8 0.8 volume=62295640.688 peak=61 ppm1=3.136 ppm2=7.215
assign ( resid 82 and name HB2
)
( resid 82 and name HE#
) 4.0 0.8 0.8 volume=68027731.438 peak=62 ppm1=2.904 ppm2=7.220
assign ( resid 82 and name HD#
)
( resid 61 and name HB#
) 3.6 0.7 0.7 volume=119841263.250 peak=65 ppm1=7.101 ppm2=1.172
assign ( resid 51 and name HD#
)
( resid 33 and name HG2#
) 3.3 0.7 0.7 volume=110172840.000 peak=66 ppm1=7.079 ppm2=1.187
assign ( resid 51 and name HD#
)
( resid 56 and name HD1#
) 3.4 0.7 0.7 volume=188725831.500 peak=67 ppm1=7.077 ppm2=0.686
assign ( resid 64 and name HD1#
)
( resid 51 and name HD#
) 3.7 0.7 0.7 volume=33331151.750 peak=68 ppm1=0.388 ppm2=7.077
assign ( resid 51 and name HD#
)
( resid 81 and name HG2#
) 3.2 0.6 0.6 volume=96865900.750 peak=69 ppm1=7.078 ppm2=0.246
assign ( resid 56 and name HB
)
( resid 51 and name HD#
) 3.9 0.8 0.8 volume=62630967.375 peak=70 ppm1=1.666 ppm2=7.086
assign ( resid 81 and name HB
)
( resid 51 and name HD#
) 4.2 0.8 0.8 volume=39692872.688 peak=71 ppm1=1.547 ppm2=7.081
assign ( resid 51 and name HD#
)
( resid 51 and name HB3
) 3.5 0.7 0.7 volume=148039255.750 peak=73 ppm1=7.078 ppm2=2.695
assign ( resid 51 and name HD#
)
( resid 85 and name HA
) 3.1 0.6 0.6 volume=79044929.375 peak=76 ppm1=7.078 ppm2=5.130
assign ( resid 51 and name HD#
)
( resid 51 and name HE#
) 3.3 0.7 0.7 volume=208994764.500 peak=77 ppm1=7.076 ppm2=7.564
assign ( resid 33 and name HG2#
)
( resid 51 and name HE#
) 3.0 0.6 0.6 volume=160216169.000 peak=81 ppm1=1.183 ppm2=7.558
assign ( resid 51 and name HE#
)
( resid 54 and name HD2#
) 3.7 0.7 0.7 volume=111656906.000 peak=83 ppm1=7.566 ppm2=0.707
assign ( resid 51 and name HE#
)
( resid 64 and name HD1#
) 3.4 0.7 0.7 volume=82849955.250 peak=84 ppm1=7.566 ppm2=0.388
assign ( resid 81 and name HD1#
)
( resid 81 and name HG2#
) 2.8 0.6 0.6 volume=534057380.375 peak=85 ppm1=0.133 ppm2=0.253
assign ( resid 64 and name HD1#
)
( resid 81 and name HD1#
) 2.9 0.6 0.6 volume=426864146.500 peak=86 ppm1=0.389 ppm2=0.126
assign ( resid 81 and name HD1#
)
( resid 81 and name HG13
) 2.6 0.5 0.5 volume=880650451.000 peak=87 ppm1=0.134 ppm2=0.654
assign ( resid 81 and name HD1#
)
( resid 64 and name HG
) 2.8 0.6 0.6 volume=525783061.000 peak=88 ppm1=0.134 ppm2=1.198
assign ( resid 90 and name HD2#
)
( resid 81 and name HD1#
) 2.7 0.5 0.5 volume=762429929.000 peak=90 ppm1=0.932 ppm2=0.134
assign ( resid 81 and name HD1#
)
( resid 90 and name HD1#
) 2.9 0.6 0.6 volume=474923151.500 peak=91 ppm1=0.134 ppm2=0.833
assign ( resid 81 and name HD1#
)
( resid 64 and name HB3
) 3.7 0.7 0.7 volume=114690428.250 peak=92 ppm1=0.134 ppm2=1.793
assign ( resid 81 and name HD1#
)
( resid 81 and name HB
) 3.0 0.6 0.6 volume=386589187.500 peak=93 ppm1=0.134 ppm2=1.551
assign ( resid 81 and name HD1#
)
( resid 56 and name HG12
) 3.4 0.7 0.7 volume=164106108.000 peak=94 ppm1=0.134 ppm2=1.350
assign ( resid 81 and name HD1#
)
( resid 90 and name HB3
) 4.5 0.9 0.9 volume=33526853.406 peak=95 ppm1=0.139 ppm2=2.167
assign ( resid 81 and name HD1#
)
( resid 84 and name HB2
) 4.5 0.9 0.9 volume=33163076.812 peak=96 ppm1=0.130 ppm2=2.286
assign ( resid 81 and name HD1#
)
( resid 51 and name HB2
) 3.9 0.8 0.8 volume=75593653.500 peak=97 ppm1=0.135 ppm2=2.776
assign ( resid 81 and name HD1#
)
( resid 51 and name HB3
) 4.1 0.8 0.8 volume=55999823.938 peak=98 ppm1=0.133 ppm2=2.690
assign ( resid 81 and name HD1#
)
( resid 84 and name HB3
) 4.4 0.9 0.9 volume=38864052.406 peak=99 ppm1=0.138 ppm2=3.122
assign ( resid 81 and name HD1#
)
( resid 81 and name HA
) 2.8 0.6 0.6 volume=585326747.000 peak=100 ppm1=0.134 ppm2=3.800
assign ( resid 81 and name HD1#
)
( resid 61 and name HA
) 3.4 0.7 0.7 volume=167544507.250 peak=101 ppm1=0.134 ppm2=3.629
assign ( resid 81 and name HD1#
)
( resid 51 and name HA
) 4.0 0.8 0.8 volume=69457453.438 peak=102 ppm1=0.135 ppm2=4.096
assign ( resid 81 and name HD1#
)
( resid 80 and name HA
) 4.0 0.8 0.8 volume=70221186.188 peak=103 ppm1=0.132 ppm2=3.990
assign ( resid 81 and name HD1#
)
( resid 51 and name HZ
) 4.2 0.8 0.8 volume=49009103.875 peak=104 ppm1=0.134 ppm2=6.825
assign ( resid 81 and name HD1#
)
( resid 51 and name HE#
) 3.7 0.7 0.7 volume=110841222.125 peak=105 ppm1=0.134 ppm2=7.561
assign ( resid 81 and name HD1#
)
( resid 82 and name H
) 4.1 0.8 0.8 volume=61578705.625 peak=106 ppm1=0.136 ppm2=7.495
assign ( resid 81 and name HD1#
)
( resid 84 and name H
) 4.1 0.8 0.8 volume=55865074.500 peak=107 ppm1=0.133 ppm2=7.323
assign ( resid 81 and name HD1#
)
( resid 51 and name HD#
) 3.6 0.7 0.7 volume=129355968.250 peak=108 ppm1=0.133 ppm2=7.082
assign ( resid 81 and name HD1#
)
( resid 81 and name H
) 3.4 0.7 0.7 volume=187981992.750 peak=109 ppm1=0.135 ppm2=8.068
assign ( resid 81 and name HD1#
)
( resid 65 and name H
) 4.3 0.9 0.9 volume=44150814.938 peak=110 ppm1=0.131 ppm2=7.743
assign ( resid 3 and name HA
)
( resid 4 and name H
) 4.3 0.9 0.9 volume=40524829.312 peak=111 ppm1=4.291 ppm2=8.382
assign ( resid 3 and name HA
)
( resid 3 and name HB#
) 2.4 0.5 0.5 volume=1332305194.000 peak=112 ppm1=4.286 ppm2=1.362
assign ( resid 2 and name HB#
)
( resid 5 and name H
) 3.9 0.8 0.8 volume=80708461.938 peak=113 ppm1=1.348 ppm2=8.431
assign ( resid 32 and name HA
)
( resid 32 and name HB#
) 2.5 0.5 0.5 volume=1193865482.000 peak=117 ppm1=4.098 ppm2=1.363
assign ( resid 32 and name HB#
)
( resid 33 and name HG1
) 3.5 0.7 0.7 volume=151274213.125 peak=119 ppm1=1.367 ppm2=4.551
assign ( resid 32 and name HB#
)
( resid 33 and name H
) 2.9 0.6 0.6 volume=437629930.000 peak=120 ppm1=1.364 ppm2=8.150
assign ( resid 32 and name HB#
)
( resid 32 and name H
) 2.6 0.5 0.5 volume=935591466.000 peak=121 ppm1=1.364 ppm2=8.264
assign ( resid 32 and name HB#
)
( resid 31 and name H
) 3.6 0.7 0.7 volume=119709001.500 peak=122 ppm1=1.371 ppm2=8.541
assign ( resid 4 and name HA
)
( resid 5 and name H
) 3.9 0.8 0.8 volume=80462645.188 peak=123 ppm1=4.388 ppm2=8.440
assign ( resid 102 and name HA
)
( resid 102 and name HB3
) 2.8 0.6 0.6 volume=528283443.000 peak=127 ppm1=4.401 ppm2=3.123
assign ( resid 4 and name HA
)
( resid 3 and name HB#
) 3.5 0.7 0.7 volume=156974144.250 peak=128 ppm1=4.392 ppm2=1.347
assign ( resid 4 and name HB3
)
( resid 6 and name H
) 4.5 0.9 0.9 volume=34487677.219 peak=129 ppm1=3.963 ppm2=8.239
assign ( resid 4 and name HB3
)
( resid 4 and name HA
) 2.8 0.6 0.6 volume=479137046.750 peak=130 ppm1=3.956 ppm2=4.391
assign ( resid 4 and name HA
)
( resid 4 and name HB2
) 2.7 0.5 0.5 volume=503909146.000 peak=131 ppm1=4.386 ppm2=3.821
assign ( resid 4 and name HB3
)
( resid 7 and name HB
) 4.4 0.9 0.9 volume=39627689.836 peak=132 ppm1=3.958 ppm2=4.245
assign ( resid 4 and name HB2
)
( resid 4 and name HB3
) 2.1 0.4 0.4 volume=3224277946.000 peak=134 ppm1=3.825 ppm2=3.955
assign ( resid 4 and name HB2
)
( resid 3 and name HB#
) 3.9 0.8 0.8 volume=72453085.750 peak=135 ppm1=3.825 ppm2=1.349
assign ( resid 4 and name HB3
)
( resid 3 and name HB#
) 3.9 0.8 0.8 volume=74093333.562 peak=136 ppm1=3.957 ppm2=1.342
assign ( resid 5 and name HA
)
( resid 5 and name HB#
) 2.3 0.5 0.5 volume=1612170078.000 peak=137 ppm1=4.179 ppm2=1.326
assign ( resid 5 and name HA
)
( resid 8 and name HB2
) 3.3 0.7 0.7 volume=224932073.750 peak=138 ppm1=4.178 ppm2=2.734
assign ( resid 5 and name HA
)
( resid 8 and name HA
) 3.9 0.8 0.8 volume=78873820.625 peak=139 ppm1=4.186 ppm2=4.463
assign ( resid 5 and name HA
)
( resid 6 and name H
) 3.3 0.7 0.7 volume=205495304.000 peak=140 ppm1=4.180 ppm2=8.227
assign ( resid 5 and name HA
)
( resid 5 and name H
) 4.6 0.9 0.9 volume=30040101.438 peak=141 ppm1=4.175 ppm2=8.450
assign ( resid 5 and name HB#
)
( resid 3 and name HA
) 3.7 0.7 0.7 volume=106706795.984 peak=142 ppm1=1.340 ppm2=4.263
assign ( resid 5 and name HB#
)
( resid 70 and name HD2
) 3.9 0.8 0.8 volume=78452343.000 peak=143 ppm1=1.327 ppm2=6.978
assign ( resid 5 and name HB#
)
( resid 6 and name H
) 2.9 0.6 0.6 volume=437141365.000 peak=144 ppm1=1.339 ppm2=8.243
assign ( resid 6 and name HB#
)
( resid 9 and name HD1#
) 3.7 0.7 0.7 volume=108996792.625 peak=145 ppm1=1.274 ppm2=0.832
assign ( resid 6 and name HB#
)
( resid 8 and name HB3
) 4.2 0.8 0.8 volume=52213410.312 peak=146 ppm1=1.273 ppm2=2.679
assign ( resid 6 and name HB#
)
( resid 73 and name HA2
) 3.5 0.7 0.7 volume=155638592.125 peak=147 ppm1=1.272 ppm2=3.817
assign ( resid 6 and name HB#
)
( resid 4 and name HB3
) 4.1 0.8 0.8 volume=60413429.188 peak=148 ppm1=1.273 ppm2=3.934
assign ( resid 6 and name HB#
)
( resid 6 and name HA
) 2.4 0.5 0.5 volume=1355266021.000 peak=150 ppm1=1.273 ppm2=4.198
assign ( resid 6 and name HB#
)
( resid 72 and name HA
) 3.8 0.8 0.8 volume=94241355.938 peak=151 ppm1=1.273 ppm2=4.471
assign ( resid 6 and name HB#
)
( resid 7 and name H
) 3.3 0.7 0.7 volume=201769176.000 peak=152 ppm1=1.273 ppm2=7.941
assign ( resid 6 and name HB#
)
( resid 6 and name H
) 2.9 0.6 0.6 volume=441964887.000 peak=153 ppm1=1.273 ppm2=8.232
assign ( resid 6 and name HB#
)
( resid 10 and name H
) 3.4 0.7 0.7 volume=165960820.000 peak=154 ppm1=1.271 ppm2=8.137
assign ( resid 6 and name HA
)
( resid 4 and name HA
) 4.3 0.9 0.9 volume=42990987.875 peak=156 ppm1=4.193 ppm2=4.401
assign ( resid 6 and name HA
)
( resid 10 and name HB#
) 3.8 0.8 0.8 volume=85474031.750 peak=159 ppm1=4.194 ppm2=1.464
assign ( resid 6 and name HA
)
( resid 7 and name H
) 3.6 0.7 0.7 volume=124066139.250 peak=162 ppm1=4.198 ppm2=7.944
assign ( resid 6 and name HA
)
( resid 10 and name H
) 3.4 0.7 0.7 volume=185862112.500 peak=163 ppm1=4.196 ppm2=8.141
assign ( resid 7 and name HA
)
( resid 11 and name H
) 4.4 0.9 0.9 volume=39897369.000 peak=164 ppm1=4.060 ppm2=7.773
assign ( resid 7 and name HA
)
( resid 8 and name H
) 3.5 0.7 0.7 volume=151807657.750 peak=165 ppm1=4.058 ppm2=8.301
assign ( resid 7 and name HA
)
( resid 10 and name H
) 3.5 0.7 0.7 volume=147846728.500 peak=166 ppm1=4.058 ppm2=8.128
assign ( resid 7 and name HA
)
( resid 7 and name H
) 3.5 0.7 0.7 volume=159262458.250 peak=167 ppm1=4.058 ppm2=7.946
assign ( resid 7 and name HA
)
( resid 10 and name HB#
) 2.9 0.6 0.6 volume=480715290.000 peak=169 ppm1=4.058 ppm2=1.453
assign ( resid 7 and name HA
)
( resid 6 and name HB#
) 3.1 0.6 0.6 volume=40717480.797 peak=170 ppm1=4.058 ppm2=1.289
assign ( resid 7 and name HG2#
)
( resid 7 and name HA
) 2.6 0.5 0.5 volume=817404568.000 peak=171 ppm1=1.185 ppm2=4.064
assign ( resid 7 and name HB
)
( resid 8 and name HA
) 4.2 0.8 0.8 volume=50593399.668 peak=172 ppm1=4.234 ppm2=4.437
assign ( resid 7 and name HB
)
( resid 7 and name H
) 3.2 0.6 0.6 volume=254675640.000 peak=173 ppm1=4.239 ppm2=7.946
assign ( resid 7 and name HB
)
( resid 8 and name H
) 2.9 0.6 0.6 volume=432874663.000 peak=174 ppm1=4.235 ppm2=8.295
assign ( resid 67 and name HB
)
( resid 67 and name H
) 3.0 0.6 0.6 volume=349508773.500 peak=175 ppm1=4.231 ppm2=8.514
assign ( resid 33 and name HG2#
)
( resid 51 and name HZ
) 4.0 0.8 0.8 volume=64983852.203 peak=176 ppm1=1.183 ppm2=6.820
assign ( resid 35 and name HG2#
)
( resid 36 and name H
) 3.2 0.6 0.6 volume=232505783.250 peak=178 ppm1=1.202 ppm2=7.769
assign ( resid 33 and name HG2#
)
( resid 37 and name H
) 3.8 0.8 0.8 volume=88862591.000 peak=179 ppm1=1.183 ppm2=7.659
assign ( resid 7 and name HG2#
)
( resid 7 and name H
) 3.3 0.7 0.7 volume=204260597.625 peak=180 ppm1=1.184 ppm2=7.948
assign ( resid 7 and name HG2#
)
( resid 8 and name H
) 3.8 0.8 0.8 volume=93098575.750 peak=181 ppm1=1.182 ppm2=8.285
assign ( resid 33 and name HG2#
)
( resid 34 and name H
) 3.4 0.7 0.7 volume=162499425.500 peak=182 ppm1=1.185 ppm2=8.372
assign ( resid 7 and name HG2#
)
( resid 4 and name HA
) 3.8 0.8 0.8 volume=95735778.875 peak=183 ppm1=1.182 ppm2=4.424
assign ( resid 7 and name HG2#
)
( resid 4 and name HB3
) 3.4 0.7 0.7 volume=191240356.750 peak=186 ppm1=1.183 ppm2=3.947
assign ( resid 7 and name HG2#
)
( resid 8 and name HB2
) 3.8 0.8 0.8 volume=87891985.125 peak=188 ppm1=1.180 ppm2=2.746
assign ( resid 41 and name HG2#
)
( resid 43 and name HG2
) 3.6 0.7 0.7 volume=61293556.688 peak=189 ppm1=1.188 ppm2=2.196
assign ( resid 33 and name HG2#
)
( resid 54 and name HG
) 3.2 0.6 0.6 volume=241680102.750 peak=190 ppm1=1.185 ppm2=1.630
assign ( resid 33 and name HG2#
)
( resid 54 and name HD2#
) 2.2 0.4 0.4 volume=2370162464.000 peak=191 ppm1=1.184 ppm2=0.698
assign ( resid 96 and name HG2#
)
( resid 74 and name HD2#
) 5.1 1.0 1.0 volume=14649834.844 peak=192 ppm1=1.181 ppm2=0.701
assign ( resid 33 and name HG2#
)
( resid 64 and name HD1#
) 3.2 0.6 0.6 volume=235174692.375 peak=193 ppm1=1.185 ppm2=0.397
assign ( resid 71 and name HA
)
( resid 28 and name HD1#
) 3.9 0.8 0.8 volume=72680808.250 peak=194 ppm1=4.441 ppm2=0.699
assign ( resid 71 and name HA
)
( resid 28 and name HD2#
) 3.8 0.8 0.8 volume=96103288.625 peak=195 ppm1=4.440 ppm2=0.817
assign ( resid 71 and name HA
)
( resid 72 and name HG2#
) 4.1 0.8 0.8 volume=55467645.000 peak=196 ppm1=4.442 ppm2=1.118
assign ( resid 71 and name HA
)
( resid 5 and name HB#
) 3.2 0.6 0.6 volume=231481168.750 peak=197 ppm1=4.444 ppm2=1.333
assign ( resid 71 and name HA
)
( resid 71 and name HB2
) 3.1 0.6 0.6 volume=278956499.000 peak=200 ppm1=4.443 ppm2=2.622
assign ( resid 8 and name HB2
)
( resid 8 and name HA
) 2.9 0.6 0.6 volume=394164806.500 peak=201 ppm1=2.734 ppm2=4.443
assign ( resid 71 and name HA
)
( resid 71 and name HB3
) 3.0 0.6 0.6 volume=397479592.500 peak=202 ppm1=4.444 ppm2=2.748
assign ( resid 71 and name HA
)
( resid 70 and name HB2
) 4.2 0.8 0.8 volume=49304710.250 peak=203 ppm1=4.439 ppm2=3.265
assign ( resid 8 and name HA
)
( resid 9 and name HA
) 3.9 0.8 0.8 volume=74670594.188 peak=204 ppm1=4.446 ppm2=4.074
assign ( resid 71 and name HA
)
( resid 71 and name HD21
) 4.1 0.8 0.8 volume=53743288.750 peak=206 ppm1=4.443 ppm2=7.222
assign ( resid 71 and name HA
)
( resid 71 and name HD22
) 3.3 0.7 0.7 volume=198848537.500 peak=207 ppm1=4.443 ppm2=7.345
assign ( resid 8 and name HA
)
( resid 11 and name H
) 3.6 0.7 0.7 volume=133249047.250 peak=208 ppm1=4.445 ppm2=7.784
assign ( resid 71 and name HA
)
( resid 72 and name H
) 3.8 0.8 0.8 volume=91950410.625 peak=209 ppm1=4.443 ppm2=7.864
assign ( resid 8 and name HA
)
( resid 9 and name H
) 3.1 0.6 0.6 volume=285305174.500 peak=210 ppm1=4.445 ppm2=8.146
assign ( resid 8 and name HA
)
( resid 8 and name H
) 3.4 0.7 0.7 volume=182401799.000 peak=211 ppm1=4.445 ppm2=8.296
assign ( resid 8 and name HB2
)
( resid 8 and name HB3
) 2.2 0.4 0.4 volume=2007135364.000 peak=212 ppm1=2.733 ppm2=2.637
assign ( resid 8 and name HB3
)
( resid 9 and name HB3
) 4.4 0.9 0.9 volume=36151097.500 peak=214 ppm1=2.634 ppm2=1.880
assign ( resid 8 and name HB3
)
( resid 11 and name HB#
) 3.3 0.7 0.7 volume=116343620.750 peak=215 ppm1=2.639 ppm2=1.471
assign ( resid 8 and name HB2
)
( resid 11 and name HB#
) 3.3 0.7 0.7 volume=220165279.000 peak=216 ppm1=2.747 ppm2=1.470
assign ( resid 5 and name HB#
)
( resid 8 and name HB3
) 3.9 0.8 0.8 volume=77962694.125 peak=217 ppm1=1.336 ppm2=2.632
assign ( resid 72 and name HG2#
)
( resid 71 and name HB3
) 3.5 0.7 0.7 volume=94902043.000 peak=218 ppm1=1.119 ppm2=2.747
assign ( resid 71 and name HB2
)
( resid 67 and name HG2#
) 4.2 0.8 0.8 volume=51274360.750 peak=220 ppm1=2.623 ppm2=1.249
assign ( resid 53 and name HB3
)
( resid 54 and name HG
) 4.0 0.8 0.8 volume=62637318.250 peak=221 ppm1=2.751 ppm2=1.644
assign ( resid 8 and name HB3
)
( resid 9 and name HB2
) 4.3 0.9 0.9 volume=40867835.938 peak=222 ppm1=2.634 ppm2=1.625
assign ( resid 8 and name HB2
)
( resid 9 and name HB3
) 4.4 0.9 0.9 volume=37357373.562 peak=223 ppm1=2.739 ppm2=1.885
assign ( resid 53 and name HB2
)
( resid 51 and name HA
) 3.5 0.7 0.7 volume=142308374.750 peak=225 ppm1=2.628 ppm2=4.085
assign ( resid 8 and name HB3
)
( resid 8 and name HA
) 2.9 0.6 0.6 volume=428905400.000 peak=226 ppm1=2.637 ppm2=4.443
assign ( resid 71 and name HB3
)
( resid 71 and name HD22
) 3.8 0.8 0.8 volume=94244962.750 peak=228 ppm1=2.749 ppm2=7.341
assign ( resid 71 and name HB2
)
( resid 71 and name HD22
) 3.8 0.8 0.8 volume=87001460.625 peak=229 ppm1=2.627 ppm2=7.339
assign ( resid 71 and name HB3
)
( resid 72 and name H
) 4.0 0.8 0.8 volume=68561113.500 peak=230 ppm1=2.748 ppm2=7.864
assign ( resid 71 and name HB2
)
( resid 72 and name H
) 3.6 0.7 0.7 volume=119550189.250 peak=231 ppm1=2.619 ppm2=7.862
assign ( resid 8 and name HB2
)
( resid 9 and name H
) 3.1 0.6 0.6 volume=281897950.000 peak=232 ppm1=2.742 ppm2=8.154
assign ( resid 8 and name HB3
)
( resid 9 and name H
) 3.1 0.6 0.6 volume=289729182.500 peak=233 ppm1=2.635 ppm2=8.155
assign ( resid 8 and name HB2
)
( resid 8 and name H
) 3.4 0.7 0.7 volume=181495173.500 peak=234 ppm1=2.732 ppm2=8.298
assign ( resid 8 and name HB3
)
( resid 8 and name H
) 3.4 0.7 0.7 volume=177295585.500 peak=235 ppm1=2.639 ppm2=8.298
assign ( resid 62 and name HA
)
( resid 62 and name H
) 3.2 0.6 0.6 volume=244945209.000 peak=236 ppm1=4.083 ppm2=7.140
assign ( resid 25 and name HA
)
( resid 28 and name H
) 3.3 0.7 0.7 volume=203985454.750 peak=237 ppm1=4.075 ppm2=7.471
assign ( resid 12 and name HA
)
( resid 11 and name H
) 3.5 0.7 0.7 volume=155156272.500 peak=238 ppm1=4.107 ppm2=7.805
assign ( resid 90 and name HA
)
( resid 93 and name H
) 3.7 0.7 0.7 volume=99301663.875 peak=239 ppm1=3.996 ppm2=7.801
assign ( resid 64 and name HA
)
( resid 65 and name H
) 3.2 0.6 0.6 volume=235664282.250 peak=240 ppm1=3.909 ppm2=7.764
assign ( resid 92 and name HA
)
( resid 92 and name H
) 3.2 0.6 0.6 volume=268598669.000 peak=241 ppm1=3.905 ppm2=7.819
assign ( resid 23 and name HA
)
( resid 23 and name H
) 3.0 0.6 0.6 volume=349045572.000 peak=242 ppm1=4.030 ppm2=7.975
assign ( resid 12 and name HA
)
( resid 12 and name H
) 3.3 0.7 0.7 volume=195719912.000 peak=243 ppm1=4.104 ppm2=7.978
assign ( resid 9 and name HA
)
( resid 10 and name H
) 3.0 0.6 0.6 volume=342006955.500 peak=244 ppm1=4.058 ppm2=8.142
assign ( resid 43 and name HA
)
( resid 43 and name H
) 3.3 0.7 0.7 volume=218674035.500 peak=245 ppm1=4.041 ppm2=9.006
assign ( resid 9 and name HA
)
( resid 12 and name HD3
) 3.8 0.8 0.8 volume=96751667.875 peak=247 ppm1=4.056 ppm2=3.131
assign ( resid 25 and name HA
)
( resid 25 and name HB2
) 2.9 0.6 0.6 volume=435731060.000 peak=251 ppm1=4.073 ppm2=1.927
assign ( resid 12 and name HA
)
( resid 12 and name HG3
) 3.0 0.6 0.6 volume=290882200.000 peak=252 ppm1=4.064 ppm2=1.764
assign ( resid 12 and name HA
)
( resid 12 and name HG2
) 2.9 0.6 0.6 volume=379028011.000 peak=253 ppm1=4.064 ppm2=1.585
assign ( resid 25 and name HA
)
( resid 25 and name HD1#
) 2.6 0.5 0.5 volume=805898772.000 peak=256 ppm1=4.071 ppm2=0.767
assign ( resid 9 and name HB3
)
( resid 9 and name HD1#
) 2.8 0.6 0.6 volume=532333216.000 peak=257 ppm1=1.891 ppm2=0.836
assign ( resid 9 and name HB2
)
( resid 9 and name HD1#
) 2.7 0.5 0.5 volume=540223308.000 peak=258 ppm1=1.626 ppm2=0.833
assign ( resid 9 and name HB2
)
( resid 98 and name HD2#
) 3.9 0.8 0.8 volume=72016692.875 peak=259 ppm1=1.628 ppm2=0.739
assign ( resid 9 and name HB3
)
( resid 9 and name HB2
) 2.8 0.6 0.6 volume=546579025.000 peak=261 ppm1=1.891 ppm2=1.625
assign ( resid 6 and name HA
)
( resid 9 and name HB2
) 3.6 0.7 0.7 volume=66105326.125 peak=264 ppm1=4.197 ppm2=1.622
assign ( resid 6 and name HA
)
( resid 9 and name HB3
) 3.4 0.7 0.7 volume=92874344.500 peak=266 ppm1=4.198 ppm2=1.894
assign ( resid 9 and name HB3
)
( resid 9 and name HA
) 2.9 0.6 0.6 volume=234960064.500 peak=267 ppm1=1.890 ppm2=4.056
assign ( resid 72 and name HA
)
( resid 9 and name HB2
) 4.0 0.8 0.8 volume=29822514.281 peak=268 ppm1=4.497 ppm2=1.627
assign ( resid 9 and name HB3
)
( resid 10 and name H
) 3.0 0.6 0.6 volume=375068407.000 peak=269 ppm1=1.891 ppm2=8.138
assign ( resid 9 and name HB2
)
( resid 10 and name H
) 3.1 0.6 0.6 volume=310228441.500 peak=270 ppm1=1.626 ppm2=8.143
assign ( resid 9 and name HA
)
( resid 9 and name HG
) 3.3 0.7 0.7 volume=142729999.500 peak=271 ppm1=4.056 ppm2=1.480
assign ( resid 9 and name HG
)
( resid 10 and name H
) 3.6 0.7 0.7 volume=130790918.750 peak=272 ppm1=1.485 ppm2=8.136
assign ( resid 9 and name HG
)
( resid 9 and name HB2
) 3.1 0.6 0.6 volume=198960258.000 peak=273 ppm1=1.483 ppm2=1.625
assign ( resid 9 and name HB3
)
( resid 9 and name HG
) 3.1 0.6 0.6 volume=226167824.500 peak=274 ppm1=1.891 ppm2=1.480
assign ( resid 9 and name HG
)
( resid 72 and name HG2#
) 3.6 0.7 0.7 volume=74969437.250 peak=275 ppm1=1.480 ppm2=1.118
assign ( resid 9 and name HG
)
( resid 98 and name HD2#
) 3.1 0.6 0.6 volume=305642120.000 peak=277 ppm1=1.488 ppm2=0.735
assign ( resid 10 and name HA
)
( resid 14 and name H
) 4.2 0.8 0.8 volume=49201336.812 peak=279 ppm1=3.886 ppm2=7.524
assign ( resid 10 and name HA
)
( resid 10 and name H
) 2.9 0.6 0.6 volume=435490526.000 peak=280 ppm1=3.887 ppm2=8.125
assign ( resid 10 and name HA
)
( resid 12 and name H
) 4.4 0.9 0.9 volume=39695170.562 peak=281 ppm1=3.888 ppm2=7.920
assign ( resid 10 and name HA
)
( resid 11 and name H
) 3.6 0.7 0.7 volume=116737608.750 peak=282 ppm1=3.887 ppm2=7.782
assign ( resid 10 and name HA
)
( resid 12 and name HB2
) 3.2 0.6 0.6 volume=249588026.000 peak=283 ppm1=3.886 ppm2=1.928
assign ( resid 10 and name HA
)
( resid 9 and name HB2
) 4.1 0.8 0.8 volume=53729234.000 peak=284 ppm1=3.883 ppm2=1.651
assign ( resid 10 and name HA
)
( resid 13 and name HB2
) 3.8 0.8 0.8 volume=97410184.625 peak=286 ppm1=3.886 ppm2=1.330
assign ( resid 10 and name HA
)
( resid 9 and name HD2#
) 3.5 0.7 0.7 volume=149294229.000 peak=287 ppm1=3.887 ppm2=0.862
assign ( resid 13 and name HD2#
)
( resid 10 and name HA
) 3.0 0.6 0.6 volume=390288181.000 peak=288 ppm1=0.755 ppm2=3.883
assign ( resid 50 and name HB#
)
( resid 53 and name H
) 2.8 0.6 0.6 volume=522908682.000 peak=289 ppm1=1.470 ppm2=7.117
assign ( resid 10 and name HB#
)
( resid 10 and name H
) 2.4 0.5 0.5 volume=1429084888.000 peak=290 ppm1=1.452 ppm2=8.123
assign ( resid 50 and name HB#
)
( resid 52 and name H
) 3.0 0.6 0.6 volume=342041943.500 peak=291 ppm1=1.471 ppm2=9.130
assign ( resid 50 and name HB#
)
( resid 50 and name H
) 2.5 0.5 0.5 volume=991531810.000 peak=292 ppm1=1.471 ppm2=8.716
assign ( resid 50 and name HB#
)
( resid 51 and name H
) 3.0 0.6 0.6 volume=353896788.500 peak=293 ppm1=1.472 ppm2=8.629
assign ( resid 31 and name HB#
)
( resid 32 and name H
) 2.7 0.5 0.5 volume=651018199.000 peak=294 ppm1=1.480 ppm2=8.272
assign ( resid 11 and name HB#
)
( resid 12 and name H
) 2.7 0.5 0.5 volume=698461519.000 peak=295 ppm1=1.471 ppm2=7.928
assign ( resid 11 and name HB#
)
( resid 11 and name H
) 2.3 0.5 0.5 volume=1896112308.000 peak=296 ppm1=1.453 ppm2=7.780
assign ( resid 10 and name HB#
)
( resid 14 and name HD22
) 4.7 0.9 0.9 volume=26913539.844 peak=297 ppm1=1.454 ppm2=7.660
assign ( resid 31 and name HB#
)
( resid 28 and name H
) 3.6 0.7 0.7 volume=123141672.000 peak=298 ppm1=1.472 ppm2=7.523
assign ( resid 10 and name HA
)
( resid 10 and name HB#
) 2.3 0.5 0.5 volume=1635148746.000 peak=299 ppm1=3.886 ppm2=1.451
assign ( resid 11 and name HB#
)
( resid 11 and name HA
) 2.2 0.4 0.4 volume=2425722972.000 peak=301 ppm1=1.472 ppm2=4.124
assign ( resid 31 and name HA
)
( resid 31 and name HB#
) 2.4 0.5 0.5 volume=1529606140.000 peak=302 ppm1=4.007 ppm2=1.479
assign ( resid 50 and name HB#
)
( resid 51 and name HB2
) 2.8 0.6 0.6 volume=512967093.000 peak=303 ppm1=1.470 ppm2=2.785
assign ( resid 50 and name HB#
)
( resid 52 and name HE2
) 3.5 0.7 0.7 volume=149326783.500 peak=305 ppm1=1.472 ppm2=2.978
assign ( resid 31 and name HB#
)
( resid 42 and name HB2
) 3.1 0.6 0.6 volume=304299540.500 peak=306 ppm1=1.479 ppm2=2.075
assign ( resid 50 and name HB#
)
( resid 85 and name HB3
) 3.6 0.7 0.7 volume=125665322.875 peak=307 ppm1=1.468 ppm2=2.316
assign ( resid 50 and name HB#
)
( resid 52 and name HB3
) 2.8 0.6 0.6 volume=537481072.000 peak=308 ppm1=1.471 ppm2=1.914
assign ( resid 10 and name HB#
)
( resid 98 and name HD1#
) 3.0 0.6 0.6 volume=410412859.000 peak=309 ppm1=1.451 ppm2=0.869
assign ( resid 10 and name HB#
)
( resid 98 and name HD2#
) 3.2 0.6 0.6 volume=276085267.500 peak=310 ppm1=1.450 ppm2=0.754
assign ( resid 31 and name HB#
)
( resid 28 and name HD1#
) 3.3 0.7 0.7 volume=230448032.750 peak=312 ppm1=1.475 ppm2=0.699
assign ( resid 50 and name HB#
)
( resid 86 and name HG2#
) 2.9 0.6 0.6 volume=504229769.000 peak=313 ppm1=1.470 ppm2=0.939
assign ( resid 11 and name HA
)
( resid 14 and name H
) 3.6 0.7 0.7 volume=129642829.250 peak=316 ppm1=4.123 ppm2=7.524
assign ( resid 11 and name HA
)
( resid 12 and name H
) 3.7 0.7 0.7 volume=114768426.750 peak=317 ppm1=4.124 ppm2=7.934
assign ( resid 11 and name HA
)
( resid 13 and name H
) 3.7 0.7 0.7 volume=105975469.250 peak=319 ppm1=4.119 ppm2=8.132
assign ( resid 12 and name HB2
)
( resid 24 and name HG2#
) 4.4 0.9 0.9 volume=39078918.188 peak=320 ppm1=1.889 ppm2=1.028
assign ( resid 9 and name HD1#
)
( resid 12 and name HB3
) 2.7 0.5 0.5 volume=183573618.500 peak=321 ppm1=0.824 ppm2=1.949
assign ( resid 12 and name HB2
)
( resid 9 and name HD1#
) 2.7 0.5 0.5 volume=187607090.000 peak=322 ppm1=1.889 ppm2=0.818
assign ( resid 12 and name HB3
)
( resid 13 and name HD2#
) 3.7 0.7 0.7 volume=102829358.750 peak=323 ppm1=1.969 ppm2=0.752
assign ( resid 12 and name HG2
)
( resid 12 and name HB3
) 3.0 0.6 0.6 volume=287984928.500 peak=324 ppm1=1.584 ppm2=1.963
assign ( resid 12 and name HG2
)
( resid 12 and name HB2
) 2.9 0.6 0.6 volume=309462686.000 peak=325 ppm1=1.584 ppm2=1.889
assign ( resid 12 and name HB3
)
( resid 11 and name HB#
) 3.9 0.8 0.8 volume=72329969.875 peak=326 ppm1=1.971 ppm2=1.471
assign ( resid 12 and name HB2
)
( resid 11 and name HB#
) 4.0 0.8 0.8 volume=65646135.250 peak=327 ppm1=1.889 ppm2=1.467
assign ( resid 12 and name HB3
)
( resid 12 and name HG3
) 2.9 0.6 0.6 volume=461556530.000 peak=328 ppm1=1.970 ppm2=1.762
assign ( resid 12 and name HB2
)
( resid 12 and name HG3
) 2.8 0.6 0.6 volume=487731327.000 peak=329 ppm1=1.889 ppm2=1.761
assign ( resid 12 and name HB3
)
( resid 12 and name HB2
) 2.4 0.5 0.5 volume=1530575072.000 peak=330 ppm1=1.970 ppm2=1.893
assign ( resid 12 and name HB3
)
( resid 12 and name HA
) 2.4 0.5 0.5 volume=540657146.000 peak=334 ppm1=1.970 ppm2=4.062
assign ( resid 12 and name HB2
)
( resid 12 and name HA
) 2.8 0.6 0.6 volume=535343166.000 peak=335 ppm1=1.889 ppm2=4.062
assign ( resid 12 and name HB3
)
( resid 13 and name H
) 3.5 0.7 0.7 volume=148368510.000 peak=336 ppm1=1.971 ppm2=8.133
assign ( resid 12 and name HB2
)
( resid 13 and name H
) 3.5 0.7 0.7 volume=144681595.750 peak=337 ppm1=1.889 ppm2=8.129
assign ( resid 12 and name HB3
)
( resid 12 and name H
) 3.0 0.6 0.6 volume=360224690.500 peak=338 ppm1=1.970 ppm2=7.927
assign ( resid 12 and name HB2
)
( resid 12 and name H
) 3.1 0.6 0.6 volume=330354390.000 peak=339 ppm1=1.889 ppm2=7.928
assign ( resid 12 and name HG3
)
( resid 12 and name HG2
) 2.3 0.5 0.5 volume=1851115468.000 peak=344 ppm1=1.759 ppm2=1.584
assign ( resid 12 and name HG3
)
( resid 11 and name HB#
) 4.1 0.8 0.8 volume=58817907.125 peak=345 ppm1=1.761 ppm2=1.462
assign ( resid 12 and name HG2
)
( resid 11 and name HB#
) 4.5 0.9 0.9 volume=31562056.234 peak=346 ppm1=1.583 ppm2=1.460
assign ( resid 12 and name HG3
)
( resid 9 and name HD1#
) 3.4 0.7 0.7 volume=90434982.125 peak=347 ppm1=1.760 ppm2=0.797
assign ( resid 12 and name HG3
)
( resid 13 and name H
) 4.1 0.8 0.8 volume=56687240.750 peak=352 ppm1=1.759 ppm2=8.134
assign ( resid 12 and name HG3
)
( resid 12 and name H
) 3.3 0.7 0.7 volume=216055901.250 peak=353 ppm1=1.760 ppm2=7.925
assign ( resid 12 and name HG2
)
( resid 13 and name H
) 4.2 0.8 0.8 volume=52033954.250 peak=354 ppm1=1.587 ppm2=8.128
assign ( resid 12 and name HG2
)
( resid 12 and name H
) 3.4 0.7 0.7 volume=169546321.500 peak=355 ppm1=1.585 ppm2=7.929
assign ( resid 12 and name HD3
)
( resid 12 and name HG2
) 2.6 0.5 0.5 volume=829833198.000 peak=356 ppm1=3.135 ppm2=1.584
assign ( resid 12 and name HD3
)
( resid 12 and name HG3
) 2.7 0.5 0.5 volume=664160613.000 peak=357 ppm1=3.135 ppm2=1.761
assign ( resid 12 and name HB3
)
( resid 12 and name HD3
) 3.0 0.6 0.6 volume=359196184.000 peak=358 ppm1=1.969 ppm2=3.133
assign ( resid 12 and name HB2
)
( resid 12 and name HD3
) 2.9 0.6 0.6 volume=429576496.000 peak=359 ppm1=1.887 ppm2=3.131
assign ( resid 24 and name HG2#
)
( resid 12 and name HD3
) 3.5 0.7 0.7 volume=155381635.250 peak=360 ppm1=1.035 ppm2=3.134
assign ( resid 12 and name HD3
)
( resid 9 and name HD1#
) 3.1 0.6 0.6 volume=301346324.500 peak=361 ppm1=3.136 ppm2=0.821
assign ( resid 12 and name HD3
)
( resid 11 and name HB#
) 4.1 0.8 0.8 volume=61113319.875 peak=362 ppm1=3.128 ppm2=1.466
assign ( resid 12 and name HD3
)
( resid 13 and name HD2#
) 3.6 0.7 0.7 volume=126025071.250 peak=363 ppm1=3.134 ppm2=0.749
assign ( resid 12 and name HD3
)
( resid 12 and name HA
) 3.1 0.6 0.6 volume=334894673.000 peak=364 ppm1=3.136 ppm2=4.058
assign ( resid 12 and name HD3
)
( resid 13 and name H
) 4.0 0.8 0.8 volume=65864784.250 peak=365 ppm1=3.140 ppm2=8.133
assign ( resid 12 and name HD3
)
( resid 12 and name H
) 3.8 0.8 0.8 volume=90830416.875 peak=366 ppm1=3.136 ppm2=7.931
assign ( resid 13 and name HA
)
( resid 21 and name HA
) 4.3 0.9 0.9 volume=41376402.688 peak=367 ppm1=4.084 ppm2=3.728
assign ( resid 13 and name HA
)
( resid 13 and name H
) 3.4 0.7 0.7 volume=182428994.000 peak=368 ppm1=4.085 ppm2=8.132
assign ( resid 13 and name HA
)
( resid 14 and name H
) 3.6 0.7 0.7 volume=120460512.000 peak=369 ppm1=4.085 ppm2=7.524
assign ( resid 13 and name HA
)
( resid 21 and name HG2
) 4.3 0.9 0.9 volume=44660463.812 peak=370 ppm1=4.084 ppm2=2.843
assign ( resid 13 and name HA
)
( resid 16 and name HB3
) 4.1 0.8 0.8 volume=60716197.188 peak=372 ppm1=4.092 ppm2=1.619
assign ( resid 13 and name HB2
)
( resid 13 and name HA
) 3.3 0.7 0.7 volume=224302108.500 peak=374 ppm1=1.329 ppm2=4.097
assign ( resid 13 and name HA
)
( resid 13 and name HD2#
) 2.5 0.5 0.5 volume=1106797954.000 peak=375 ppm1=4.086 ppm2=0.752
assign ( resid 13 and name HB3
)
( resid 10 and name HA
) 3.7 0.7 0.7 volume=109716135.375 peak=378 ppm1=1.923 ppm2=3.886
assign ( resid 64 and name HA
)
( resid 64 and name HB3
) 3.5 0.7 0.7 volume=131191850.750 peak=379 ppm1=3.921 ppm2=1.791
assign ( resid 64 and name HB3
)
( resid 61 and name HA
) 3.4 0.7 0.7 volume=124148106.500 peak=380 ppm1=1.791 ppm2=3.631
assign ( resid 68 and name HB2
)
( resid 65 and name HA
) 4.0 0.8 0.8 volume=64830024.375 peak=381 ppm1=1.892 ppm2=3.633
assign ( resid 13 and name HB3
)
( resid 13 and name H
) 3.2 0.6 0.6 volume=242369697.000 peak=383 ppm1=1.923 ppm2=8.133
assign ( resid 64 and name HB3
)
( resid 64 and name H
) 3.4 0.7 0.7 volume=191575549.250 peak=384 ppm1=1.789 ppm2=8.585
assign ( resid 59 and name HB2
)
( resid 60 and name H
) 3.4 0.7 0.7 volume=178593500.500 peak=385 ppm1=1.971 ppm2=8.841
assign ( resid 68 and name HB2
)
( resid 68 and name H
) 3.5 0.7 0.7 volume=153402878.250 peak=386 ppm1=1.901 ppm2=8.293
assign ( resid 59 and name HB3
)
( resid 59 and name H
) 3.5 0.7 0.7 volume=149052284.750 peak=387 ppm1=1.659 ppm2=8.202
assign ( resid 94 and name HB2
)
( resid 94 and name H
) 3.4 0.7 0.7 volume=171637208.000 peak=388 ppm1=1.951 ppm2=8.523
assign ( resid 13 and name HB2
)
( resid 14 and name H
) 3.7 0.7 0.7 volume=108028412.250 peak=389 ppm1=1.329 ppm2=7.511
assign ( resid 13 and name HB3
)
( resid 14 and name H
) 3.5 0.7 0.7 volume=155991164.875 peak=390 ppm1=1.924 ppm2=7.509
assign ( resid 13 and name HB3
)
( resid 13 and name HA
) 2.9 0.6 0.6 volume=420004108.000 peak=392 ppm1=1.921 ppm2=4.095
assign ( resid 13 and name HB2
)
( resid 13 and name HB3
) 2.7 0.5 0.5 volume=586997996.000 peak=394 ppm1=1.327 ppm2=1.926
assign ( resid 13 and name HD2#
)
( resid 13 and name HB2
) 2.7 0.5 0.5 volume=685771952.000 peak=395 ppm1=0.753 ppm2=1.339
assign ( resid 13 and name HD2#
)
( resid 13 and name HB3
) 2.6 0.5 0.5 volume=934137096.000 peak=396 ppm1=0.749 ppm2=1.929
assign ( resid 85 and name HB2
)
( resid 85 and name HD2
) 3.5 0.7 0.7 volume=145910656.750 peak=398 ppm1=2.264 ppm2=3.583
assign ( resid 85 and name HG2
)
( resid 85 and name HD2
) 3.2 0.6 0.6 volume=254339001.500 peak=399 ppm1=1.988 ppm2=3.585
assign ( resid 85 and name HG2
)
( resid 85 and name HD3
) 3.2 0.6 0.6 volume=247861209.500 peak=400 ppm1=1.988 ppm2=3.331
assign ( resid 85 and name HD2
)
( resid 85 and name HG3
) 3.2 0.6 0.6 volume=251519301.000 peak=401 ppm1=3.585 ppm2=1.895
assign ( resid 85 and name HG3
)
( resid 85 and name HD3
) 3.3 0.7 0.7 volume=205644152.000 peak=402 ppm1=1.896 ppm2=3.331
assign ( resid 85 and name HD3
)
( resid 89 and name HB#
) 3.5 0.7 0.7 volume=139978913.500 peak=404 ppm1=3.334 ppm2=1.642
assign ( resid 85 and name HD2
)
( resid 85 and name HD3
) 2.8 0.6 0.6 volume=540966063.000 peak=405 ppm1=3.585 ppm2=3.332
assign ( resid 85 and name HD2
)
( resid 85 and name HA
) 4.5 0.9 0.9 volume=34557456.000 peak=407 ppm1=3.586 ppm2=5.130
assign ( resid 85 and name HD2
)
( resid 84 and name HA
) 3.7 0.7 0.7 volume=100155019.750 peak=409 ppm1=3.586 ppm2=4.930
assign ( resid 85 and name HD2
)
( resid 84 and name H
) 3.9 0.8 0.8 volume=75632849.625 peak=410 ppm1=3.584 ppm2=7.345
assign ( resid 85 and name HD3
)
( resid 84 and name H
) 4.0 0.8 0.8 volume=66183055.625 peak=411 ppm1=3.330 ppm2=7.340
assign ( resid 85 and name HD2
)
( resid 86 and name HG2#
) 4.4 0.9 0.9 volume=37037536.375 peak=412 ppm1=3.585 ppm2=0.945
assign ( resid 42 and name HD2
)
( resid 34 and name HB#
) 3.8 0.8 0.8 volume=86270013.875 peak=413 ppm1=3.869 ppm2=1.316
assign ( resid 87 and name HD3
)
( resid 87 and name HD2
) 3.1 0.6 0.6 volume=289265633.500 peak=415 ppm1=2.471 ppm2=3.691
assign ( resid 87 and name HD3
)
( resid 51 and name HA
) 4.1 0.8 0.8 volume=54920946.938 peak=416 ppm1=2.473 ppm2=4.124
assign ( resid 87 and name HD2
)
( resid 51 and name HA
) 4.0 0.8 0.8 volume=66289476.750 peak=417 ppm1=3.690 ppm2=4.126
assign ( resid 87 and name HD3
)
( resid 86 and name HA
) 3.1 0.6 0.6 volume=321863714.000 peak=419 ppm1=2.471 ppm2=4.370
assign ( resid 87 and name HD2
)
( resid 88 and name H
) 4.2 0.8 0.8 volume=47346788.062 peak=420 ppm1=3.696 ppm2=8.981
assign ( resid 87 and name HD3
)
( resid 88 and name H
) 4.4 0.9 0.9 volume=37521827.562 peak=421 ppm1=2.470 ppm2=8.975
assign ( resid 87 and name HD3
)
( resid 86 and name HG2#
) 3.8 0.8 0.8 volume=91037609.250 peak=422 ppm1=2.471 ppm2=0.943
assign ( resid 87 and name HD3
)
( resid 54 and name HD2#
) 3.8 0.8 0.8 volume=87120946.750 peak=423 ppm1=2.471 ppm2=0.707
assign ( resid 48 and name HA
)
( resid 50 and name HB#
) 4.7 0.9 0.9 volume=25410934.938 peak=425 ppm1=4.386 ppm2=1.493
assign ( resid 14 and name HA
)
( resid 14 and name H
) 2.9 0.6 0.6 volume=456149113.000 peak=426 ppm1=4.364 ppm2=7.524
assign ( resid 14 and name HA
)
( resid 13 and name H
) 4.1 0.8 0.8 volume=59575745.688 peak=427 ppm1=4.365 ppm2=8.127
assign ( resid 14 and name HA
)
( resid 16 and name H
) 3.6 0.7 0.7 volume=115467548.000 peak=428 ppm1=4.364 ppm2=7.361
assign ( resid 14 and name HA
)
( resid 15 and name H
) 3.5 0.7 0.7 volume=148823934.250 peak=429 ppm1=4.364 ppm2=8.412
assign ( resid 14 and name HA
)
( resid 15 and name HA2
) 4.1 0.8 0.8 volume=61194199.875 peak=430 ppm1=4.362 ppm2=3.924
assign ( resid 14 and name HA
)
( resid 14 and name HB2
) 2.6 0.5 0.5 volume=934129818.000 peak=431 ppm1=4.364 ppm2=2.810
assign ( resid 14 and name HA
)
( resid 16 and name HD2#
) 3.7 0.7 0.7 volume=106251267.750 peak=435 ppm1=4.363 ppm2=0.749
assign ( resid 14 and name HB2
)
( resid 11 and name HB#
) 3.4 0.7 0.7 volume=190923371.000 peak=436 ppm1=2.810 ppm2=1.467
assign ( resid 14 and name HB2
)
( resid 13 and name HB3
) 4.0 0.8 0.8 volume=64982209.875 peak=437 ppm1=2.812 ppm2=1.941
assign ( resid 14 and name HB2
)
( resid 10 and name HA
) 4.3 0.9 0.9 volume=46218488.500 peak=438 ppm1=2.813 ppm2=3.907
assign ( resid 11 and name HA
)
( resid 14 and name HB2
) 2.9 0.6 0.6 volume=457156486.000 peak=440 ppm1=4.123 ppm2=2.809
assign ( resid 14 and name HB2
)
( resid 14 and name HD21
) 3.7 0.7 0.7 volume=99411987.000 peak=441 ppm1=2.809 ppm2=6.981
assign ( resid 14 and name HB2
)
( resid 14 and name H
) 2.5 0.5 0.5 volume=1193898696.000 peak=442 ppm1=2.810 ppm2=7.527
assign ( resid 14 and name HB2
)
( resid 11 and name H
) 4.5 0.9 0.9 volume=31704717.719 peak=443 ppm1=2.806 ppm2=7.802
assign ( resid 14 and name HB2
)
( resid 14 and name HD22
) 3.4 0.7 0.7 volume=184907210.250 peak=444 ppm1=2.812 ppm2=7.669
assign ( resid 14 and name HB2
)
( resid 15 and name H
) 4.3 0.9 0.9 volume=45669823.500 peak=445 ppm1=2.813 ppm2=8.403
assign ( resid 14 and name HB2
)
( resid 13 and name H
) 3.7 0.7 0.7 volume=114972333.500 peak=446 ppm1=2.811 ppm2=8.132
assign ( resid 15 and name HA3
)
( resid 15 and name H
) 3.9 0.8 0.8 volume=75196943.375 peak=447 ppm1=3.983 ppm2=8.416
assign ( resid 15 and name HA2
)
( resid 15 and name H
) 4.0 0.8 0.8 volume=66928323.875 peak=448 ppm1=3.927 ppm2=8.419
assign ( resid 15 and name HA3
)
( resid 14 and name HA
) 4.4 0.9 0.9 volume=39373040.312 peak=449 ppm1=3.984 ppm2=4.353
assign ( resid 15 and name HA3
)
( resid 16 and name HD2#
) 4.2 0.8 0.8 volume=47347695.875 peak=452 ppm1=3.963 ppm2=0.771
assign ( resid 16 and name HA
)
( resid 17 and name H
) 3.0 0.6 0.6 volume=341610687.500 peak=453 ppm1=4.614 ppm2=8.828
assign ( resid 16 and name HA
)
( resid 15 and name HA3
) 3.9 0.8 0.8 volume=79656386.125 peak=454 ppm1=4.612 ppm2=3.951
assign ( resid 16 and name HA
)
( resid 20 and name HB2
) 4.0 0.8 0.8 volume=64502181.750 peak=455 ppm1=4.611 ppm2=2.029
assign ( resid 16 and name HA
)
( resid 16 and name HD2#
) 2.6 0.5 0.5 volume=879363716.000 peak=456 ppm1=4.614 ppm2=0.774
assign ( resid 16 and name HG
)
( resid 13 and name HA
) 3.8 0.8 0.8 volume=95946171.500 peak=461 ppm1=1.781 ppm2=4.083
assign ( resid 16 and name HG
)
( resid 16 and name HA
) 4.0 0.8 0.8 volume=62023198.000 peak=462 ppm1=1.781 ppm2=4.616
assign ( resid 16 and name HG
)
( resid 16 and name H
) 3.6 0.7 0.7 volume=131496149.250 peak=463 ppm1=1.780 ppm2=7.352
assign ( resid 16 and name HG
)
( resid 20 and name HG3
) 4.1 0.8 0.8 volume=61049634.625 peak=464 ppm1=1.784 ppm2=2.399
assign ( resid 16 and name HG
)
( resid 16 and name HB3
) 3.5 0.7 0.7 volume=159253879.500 peak=465 ppm1=1.779 ppm2=1.598
assign ( resid 16 and name HG
)
( resid 16 and name HD2#
) 2.4 0.5 0.5 volume=1004743344.000 peak=467 ppm1=1.780 ppm2=0.765
assign ( resid 16 and name HD2#
)
( resid 13 and name HA
) 3.4 0.7 0.7 volume=191576669.000 peak=468 ppm1=0.780 ppm2=4.094
assign ( resid 16 and name HD2#
)
( resid 21 and name HG2
) 4.0 0.8 0.8 volume=63079683.227 peak=470 ppm1=0.782 ppm2=2.871
assign ( resid 16 and name HD2#
)
( resid 20 and name H
) 4.3 0.9 0.9 volume=44144285.844 peak=473 ppm1=0.780 ppm2=7.801
assign ( resid 16 and name HD2#
)
( resid 17 and name H
) 3.5 0.7 0.7 volume=160170977.000 peak=474 ppm1=0.778 ppm2=8.831
assign ( resid 17 and name HA
)
( resid 17 and name H
) 3.7 0.7 0.7 volume=104163145.250 peak=475 ppm1=4.665 ppm2=8.812
assign ( resid 17 and name HB2
)
( resid 17 and name HA
) 3.0 0.6 0.6 volume=376294796.000 peak=477 ppm1=3.989 ppm2=4.658
assign ( resid 17 and name HB2
)
( resid 17 and name H
) 3.5 0.7 0.7 volume=149405498.500 peak=478 ppm1=3.988 ppm2=8.829
assign ( resid 17 and name HB3
)
( resid 17 and name H
) 3.9 0.8 0.8 volume=82931349.375 peak=479 ppm1=4.368 ppm2=8.825
assign ( resid 17 and name HB3
)
( resid 17 and name HA
) 3.5 0.7 0.7 volume=145533655.250 peak=481 ppm1=4.375 ppm2=4.657
assign ( resid 17 and name HB3
)
( resid 17 and name HB2
) 3.0 0.6 0.6 volume=297782668.000 peak=483 ppm1=4.373 ppm2=3.979
assign ( resid 17 and name HB3
)
( resid 18 and name HB3
) 4.2 0.8 0.8 volume=50145330.375 peak=484 ppm1=4.376 ppm2=2.408
assign ( resid 17 and name HB3
)
( resid 20 and name HB2
) 4.1 0.8 0.8 volume=55153819.625 peak=485 ppm1=4.378 ppm2=2.053
assign ( resid 17 and name HB2
)
( resid 20 and name HG3
) 3.8 0.8 0.8 volume=85439714.875 peak=486 ppm1=3.989 ppm2=2.393
assign ( resid 17 and name HB2
)
( resid 20 and name HB2
) 3.8 0.8 0.8 volume=87392366.500 peak=487 ppm1=3.987 ppm2=2.044
assign ( resid 18 and name HA
)
( resid 18 and name HD3
) 4.0 0.8 0.8 volume=63886684.062 peak=488 ppm1=4.345 ppm2=3.920
assign ( resid 18 and name HA
)
( resid 19 and name H
) 4.5 0.9 0.9 volume=33955400.656 peak=489 ppm1=4.342 ppm2=8.487
assign ( resid 18 and name HA
)
( resid 22 and name H
) 4.0 0.8 0.8 volume=70798454.281 peak=490 ppm1=4.348 ppm2=7.991
assign ( resid 18 and name HA
)
( resid 21 and name H
) 3.9 0.8 0.8 volume=83639629.750 peak=491 ppm1=4.351 ppm2=9.154
assign ( resid 18 and name HA
)
( resid 21 and name HG2
) 4.0 0.8 0.8 volume=66932278.875 peak=492 ppm1=4.348 ppm2=2.877
assign ( resid 18 and name HA
)
( resid 18 and name HB3
) 3.1 0.6 0.6 volume=299794331.000 peak=494 ppm1=4.348 ppm2=2.428
assign ( resid 18 and name HA
)
( resid 18 and name HG2
) 3.6 0.7 0.7 volume=134679965.625 peak=495 ppm1=4.348 ppm2=2.228
assign ( resid 18 and name HG3
)
( resid 18 and name HA
) 3.5 0.7 0.7 volume=145762364.500 peak=496 ppm1=2.103 ppm2=4.349
assign ( resid 18 and name HB2
)
( resid 18 and name HA
) 3.3 0.7 0.7 volume=199036328.500 peak=497 ppm1=1.946 ppm2=4.348
assign ( resid 18 and name HB2
)
( resid 19 and name H
) 4.0 0.8 0.8 volume=61964491.625 peak=501 ppm1=1.948 ppm2=8.487
assign ( resid 18 and name HG2
)
( resid 18 and name HG3
) 2.7 0.5 0.5 volume=609576514.000 peak=507 ppm1=2.223 ppm2=2.103
assign ( resid 18 and name HB3
)
( resid 18 and name HG3
) 3.1 0.6 0.6 volume=308994062.000 peak=508 ppm1=2.428 ppm2=2.103
assign ( resid 18 and name HG2
)
( resid 18 and name HB3
) 3.2 0.6 0.6 volume=251612658.500 peak=509 ppm1=2.223 ppm2=2.428
assign ( resid 18 and name HB3
)
( resid 18 and name HB2
) 2.5 0.5 0.5 volume=755264354.000 peak=510 ppm1=2.428 ppm2=1.946
assign ( resid 18 and name HG2
)
( resid 18 and name HB2
) 2.9 0.6 0.6 volume=488255173.000 peak=511 ppm1=2.223 ppm2=1.944
assign ( resid 18 and name HB2
)
( resid 18 and name HG3
) 2.8 0.6 0.6 volume=566894783.000 peak=512 ppm1=1.948 ppm2=2.106
assign ( resid 45 and name HA
)
( resid 46 and name H
) 3.1 0.6 0.6 volume=332564793.000 peak=513 ppm1=3.952 ppm2=8.215
assign ( resid 19 and name HA
)
( resid 19 and name H
) 3.8 0.8 0.8 volume=87835872.125 peak=514 ppm1=3.989 ppm2=8.487
assign ( resid 19 and name HA
)
( resid 20 and name H
) 4.1 0.8 0.8 volume=61095451.000 peak=515 ppm1=3.988 ppm2=7.807
assign ( resid 80 and name HA
)
( resid 80 and name H
) 3.2 0.6 0.6 volume=233254876.000 peak=516 ppm1=3.988 ppm2=7.323
assign ( resid 80 and name HA
)
( resid 81 and name H
) 4.3 0.9 0.9 volume=43058265.562 peak=517 ppm1=3.990 ppm2=8.073
assign ( resid 84 and name HD2
)
( resid 80 and name HA
) 3.6 0.7 0.7 volume=131979087.000 peak=518 ppm1=6.711 ppm2=3.985
assign ( resid 19 and name HG2
)
( resid 19 and name HA
) 2.7 0.5 0.5 volume=496917573.000 peak=519 ppm1=2.384 ppm2=3.993
assign ( resid 80 and name HA
)
( resid 83 and name HB3
) 3.5 0.7 0.7 volume=152208286.500 peak=520 ppm1=3.987 ppm2=1.837
assign ( resid 19 and name HB3
)
( resid 19 and name HA
) 2.8 0.6 0.6 volume=616667737.000 peak=521 ppm1=2.055 ppm2=3.993
assign ( resid 19 and name HA
)
( resid 19 and name HB2
) 2.7 0.5 0.5 volume=637054944.000 peak=522 ppm1=3.988 ppm2=1.928
assign ( resid 22 and name HB3
)
( resid 22 and name HA
) 2.8 0.6 0.6 volume=305287295.500 peak=523 ppm1=2.043 ppm2=3.396
assign ( resid 22 and name HA
)
( resid 22 and name HB2
) 2.9 0.6 0.6 volume=293231063.000 peak=524 ppm1=3.398 ppm2=1.932
assign ( resid 22 and name HB2
)
( resid 19 and name HA
) 2.8 0.6 0.6 volume=520685437.000 peak=525 ppm1=1.941 ppm2=3.996
assign ( resid 22 and name HB3
)
( resid 23 and name H
) 2.9 0.6 0.6 volume=432145725.000 peak=527 ppm1=2.043 ppm2=7.986
assign ( resid 22 and name HB2
)
( resid 23 and name H
) 2.9 0.6 0.6 volume=459450077.000 peak=528 ppm1=1.936 ppm2=7.985
assign ( resid 19 and name HG2
)
( resid 20 and name H
) 3.8 0.8 0.8 volume=89161344.500 peak=530 ppm1=2.379 ppm2=7.803
assign ( resid 23 and name HG2
)
( resid 24 and name H
) 4.1 0.8 0.8 volume=59235480.250 peak=531 ppm1=2.374 ppm2=8.147
assign ( resid 23 and name HG2
)
( resid 23 and name H
) 3.2 0.6 0.6 volume=275638010.000 peak=532 ppm1=2.383 ppm2=7.975
assign ( resid 19 and name HB2
)
( resid 19 and name HG2
) 2.7 0.5 0.5 volume=782174943.000 peak=533 ppm1=1.913 ppm2=2.386
assign ( resid 19 and name HG2
)
( resid 19 and name HB3
) 2.6 0.5 0.5 volume=887540347.000 peak=534 ppm1=2.384 ppm2=2.055
assign ( resid 23 and name HB3
)
( resid 23 and name HG2
) 2.6 0.5 0.5 volume=826369730.000 peak=536 ppm1=2.058 ppm2=2.387
assign ( resid 19 and name HB2
)
( resid 19 and name HB3
) 2.3 0.5 0.5 volume=1912707984.000 peak=538 ppm1=1.913 ppm2=2.050
assign ( resid 19 and name HB2
)
( resid 20 and name H
) 3.5 0.7 0.7 volume=148273098.000 peak=541 ppm1=1.918 ppm2=7.808
assign ( resid 19 and name HB3
)
( resid 19 and name H
) 3.5 0.7 0.7 volume=141905021.750 peak=542 ppm1=2.053 ppm2=8.489
assign ( resid 19 and name HB2
)
( resid 19 and name H
) 3.6 0.7 0.7 volume=129865215.750 peak=543 ppm1=1.913 ppm2=8.486
assign ( resid 20 and name HA
)
( resid 21 and name H
) 4.1 0.8 0.8 volume=53896903.688 peak=544 ppm1=4.096 ppm2=9.121
assign ( resid 9 and name HA
)
( resid 8 and name HB2
) 3.7 0.7 0.7 volume=114034449.000 peak=545 ppm1=4.062 ppm2=2.735
assign ( resid 9 and name HA
)
( resid 8 and name HB3
) 3.5 0.7 0.7 volume=144006065.000 peak=546 ppm1=4.094 ppm2=2.624
assign ( resid 52 and name HD2
)
( resid 52 and name HE2
) 2.4 0.5 0.5 volume=1084181836.000 peak=547 ppm1=1.684 ppm2=2.967
assign ( resid 21 and name HB2
)
( resid 21 and name H
) 3.8 0.8 0.8 volume=89636621.000 peak=551 ppm1=1.644 ppm2=9.149
assign ( resid 21 and name HB2
)
( resid 22 and name H
) 3.7 0.7 0.7 volume=99971462.000 peak=552 ppm1=1.646 ppm2=7.991
assign ( resid 21 and name HB3
)
( resid 21 and name H
) 3.7 0.7 0.7 volume=102574735.750 peak=553 ppm1=2.658 ppm2=9.150
assign ( resid 21 and name HB3
)
( resid 22 and name H
) 3.6 0.7 0.7 volume=121444936.000 peak=554 ppm1=2.660 ppm2=7.988
assign ( resid 21 and name HB2
)
( resid 95 and name HD2
) 3.6 0.7 0.7 volume=77863006.875 peak=556 ppm1=1.642 ppm2=6.542
assign ( resid 21 and name HB3
)
( resid 18 and name HA
) 3.5 0.7 0.7 volume=55584806.062 peak=559 ppm1=2.664 ppm2=4.347
assign ( resid 18 and name HA
)
( resid 21 and name HB2
) 3.9 0.8 0.8 volume=48152948.125 peak=560 ppm1=4.349 ppm2=1.637
assign ( resid 21 and name HB2
)
( resid 21 and name HB3
) 3.2 0.6 0.6 volume=245118514.500 peak=561 ppm1=1.645 ppm2=2.659
assign ( resid 21 and name HB3
)
( resid 21 and name HG2
) 3.9 0.8 0.8 volume=80055167.875 peak=563 ppm1=2.656 ppm2=2.891
assign ( resid 21 and name HG3
)
( resid 21 and name HB3
) 3.9 0.8 0.8 volume=75813328.375 peak=564 ppm1=2.298 ppm2=2.653
assign ( resid 21 and name HB2
)
( resid 21 and name HG3
) 3.7 0.7 0.7 volume=85787611.375 peak=565 ppm1=1.643 ppm2=2.301
assign ( resid 24 and name HG2#
)
( resid 21 and name HA
) 3.7 0.7 0.7 volume=61225039.438 peak=567 ppm1=1.034 ppm2=3.729
assign ( resid 21 and name HA
)
( resid 13 and name HD2#
) 2.7 0.5 0.5 volume=692524324.000 peak=568 ppm1=3.727 ppm2=0.753
assign ( resid 21 and name HA
)
( resid 21 and name HB2
) 3.3 0.7 0.7 volume=201412427.500 peak=569 ppm1=3.730 ppm2=1.642
assign ( resid 21 and name HA
)
( resid 20 and name HB3
) 4.1 0.8 0.8 volume=53494493.875 peak=571 ppm1=3.731 ppm2=2.385
assign ( resid 21 and name HA
)
( resid 20 and name HB2
) 4.0 0.8 0.8 volume=66016820.625 peak=572 ppm1=3.733 ppm2=2.032
assign ( resid 21 and name HG2
)
( resid 21 and name HA
) 3.6 0.7 0.7 volume=131093677.250 peak=573 ppm1=2.888 ppm2=3.730
assign ( resid 21 and name HB3
)
( resid 21 and name HA
) 3.8 0.8 0.8 volume=88142020.375 peak=574 ppm1=2.658 ppm2=3.724
assign ( resid 21 and name HA
)
( resid 20 and name HA
) 3.9 0.8 0.8 volume=71970858.750 peak=576 ppm1=3.724 ppm2=4.081
assign ( resid 21 and name HA
)
( resid 22 and name H
) 3.8 0.8 0.8 volume=90298343.625 peak=577 ppm1=3.731 ppm2=7.992
assign ( resid 21 and name HA
)
( resid 24 and name H
) 4.0 0.8 0.8 volume=65905693.125 peak=578 ppm1=3.728 ppm2=8.145
assign ( resid 21 and name HA
)
( resid 95 and name HD2
) 4.5 0.9 0.9 volume=34185100.656 peak=579 ppm1=3.729 ppm2=6.559
assign ( resid 21 and name HA
)
( resid 21 and name H
) 3.5 0.7 0.7 volume=139924235.250 peak=580 ppm1=3.730 ppm2=9.150
assign ( resid 21 and name HG3
)
( resid 21 and name HA
) 3.6 0.7 0.7 volume=102847604.625 peak=582 ppm1=2.296 ppm2=3.730
assign ( resid 21 and name HG3
)
( resid 21 and name HG2
) 3.3 0.7 0.7 volume=225306003.500 peak=583 ppm1=2.295 ppm2=2.881
assign ( resid 13 and name HA
)
( resid 21 and name HG3
) 4.0 0.8 0.8 volume=64475586.750 peak=587 ppm1=4.082 ppm2=2.301
assign ( resid 21 and name HG2
)
( resid 21 and name H
) 3.7 0.7 0.7 volume=115081809.000 peak=588 ppm1=2.886 ppm2=9.157
assign ( resid 21 and name HG3
)
( resid 21 and name H
) 3.9 0.8 0.8 volume=80550243.500 peak=589 ppm1=2.294 ppm2=9.155
assign ( resid 21 and name HG2
)
( resid 21 and name HB2
) 3.7 0.7 0.7 volume=110665259.750 peak=590 ppm1=2.888 ppm2=1.624
assign ( resid 63 and name HB2
)
( resid 63 and name HA
) 2.7 0.5 0.5 volume=723968578.000 peak=592 ppm1=2.032 ppm2=4.085
assign ( resid 20 and name HB3
)
( resid 20 and name HA
) 3.5 0.7 0.7 volume=137703481.000 peak=593 ppm1=2.394 ppm2=4.106
assign ( resid 63 and name HB2
)
( resid 36 and name HA
) 3.8 0.8 0.8 volume=92479737.000 peak=594 ppm1=2.032 ppm2=3.901
assign ( resid 63 and name HB2
)
( resid 62 and name H
) 4.0 0.8 0.8 volume=69200414.000 peak=595 ppm1=2.032 ppm2=7.138
assign ( resid 63 and name HB2
)
( resid 63 and name H
) 2.9 0.6 0.6 volume=491360561.000 peak=596 ppm1=2.029 ppm2=7.471
assign ( resid 20 and name HB2
)
( resid 20 and name H
) 3.6 0.7 0.7 volume=135292718.500 peak=597 ppm1=2.038 ppm2=7.802
assign ( resid 20 and name HB3
)
( resid 20 and name H
) 3.7 0.7 0.7 volume=111965601.250 peak=598 ppm1=2.394 ppm2=7.807
assign ( resid 20 and name HB3
)
( resid 17 and name H
) 3.8 0.8 0.8 volume=86883008.750 peak=599 ppm1=2.394 ppm2=8.822
assign ( resid 20 and name HB2
)
( resid 17 and name H
) 3.7 0.7 0.7 volume=111200979.500 peak=600 ppm1=2.036 ppm2=8.828
assign ( resid 20 and name HB3
)
( resid 21 and name H
) 4.2 0.8 0.8 volume=50439410.000 peak=601 ppm1=2.391 ppm2=9.147
assign ( resid 20 and name HB3
)
( resid 16 and name HA
) 4.4 0.9 0.9 volume=36824555.938 peak=602 ppm1=2.390 ppm2=4.613
assign ( resid 20 and name HB3
)
( resid 16 and name HB2
) 3.8 0.8 0.8 volume=75016930.875 peak=603 ppm1=2.393 ppm2=1.813
assign ( resid 20 and name HB3
)
( resid 16 and name HB3
) 3.5 0.7 0.7 volume=96734005.000 peak=605 ppm1=2.391 ppm2=1.601
assign ( resid 20 and name HB2
)
( resid 16 and name HB3
) 3.6 0.7 0.7 volume=123906818.500 peak=607 ppm1=2.038 ppm2=1.603
assign ( resid 16 and name HD2#
)
( resid 20 and name HB3
) 3.0 0.6 0.6 volume=226927507.000 peak=608 ppm1=0.777 ppm2=2.391
assign ( resid 20 and name HB2
)
( resid 16 and name HD2#
) 3.0 0.6 0.6 volume=375565912.000 peak=609 ppm1=2.036 ppm2=0.769
assign ( resid 20 and name HG3
)
( resid 20 and name HB2
) 2.9 0.6 0.6 volume=488031237.000 peak=610 ppm1=2.408 ppm2=2.039
assign ( resid 20 and name HG3
)
( resid 16 and name HD2#
) 3.3 0.7 0.7 volume=229324492.000 peak=611 ppm1=2.406 ppm2=0.769
assign ( resid 20 and name HG3
)
( resid 20 and name HA
) 3.0 0.6 0.6 volume=365298748.000 peak=612 ppm1=2.402 ppm2=4.103
assign ( resid 20 and name HG3
)
( resid 20 and name H
) 3.2 0.6 0.6 volume=238696667.500 peak=613 ppm1=2.402 ppm2=7.805
assign ( resid 20 and name HB2
)
( resid 20 and name HB3
) 2.6 0.5 0.5 volume=916046346.000 peak=614 ppm1=2.034 ppm2=2.403
assign ( resid 22 and name HA
)
( resid 26 and name H
) 4.1 0.8 0.8 volume=54974353.750 peak=615 ppm1=3.399 ppm2=9.007
assign ( resid 22 and name HA
)
( resid 23 and name H
) 3.1 0.6 0.6 volume=304741312.000 peak=616 ppm1=3.398 ppm2=7.985
assign ( resid 22 and name HA
)
( resid 25 and name HA
) 4.1 0.8 0.8 volume=58650480.375 peak=618 ppm1=3.400 ppm2=4.066
assign ( resid 22 and name HA
)
( resid 21 and name HA
) 4.3 0.9 0.9 volume=41133792.750 peak=619 ppm1=3.399 ppm2=3.755
assign ( resid 22 and name HA
)
( resid 25 and name HB3
) 3.8 0.8 0.8 volume=96969447.500 peak=623 ppm1=3.401 ppm2=1.251
assign ( resid 22 and name HA
)
( resid 91 and name HG2#
) 3.3 0.7 0.7 volume=203505083.000 peak=624 ppm1=3.399 ppm2=1.012
assign ( resid 22 and name HA
)
( resid 25 and name HD1#
) 3.2 0.6 0.6 volume=234947672.000 peak=625 ppm1=3.398 ppm2=0.780
assign ( resid 26 and name HB#
)
( resid 22 and name HA
) 3.8 0.8 0.8 volume=54803851.562 peak=626 ppm1=1.507 ppm2=3.415
assign ( resid 42 and name HG2
)
( resid 43 and name H
) 4.1 0.8 0.8 volume=54095309.625 peak=627 ppm1=1.939 ppm2=9.000
assign ( resid 25 and name HG
)
( resid 26 and name H
) 4.2 0.8 0.8 volume=49548112.500 peak=628 ppm1=1.789 ppm2=9.007
assign ( resid 25 and name HG
)
( resid 25 and name H
) 3.2 0.6 0.6 volume=264088353.000 peak=629 ppm1=1.786 ppm2=7.876
assign ( resid 59 and name HG
)
( resid 60 and name H
) 3.8 0.8 0.8 volume=87949034.000 peak=630 ppm1=1.658 ppm2=8.844
assign ( resid 28 and name HG
)
( resid 29 and name H
) 3.9 0.8 0.8 volume=76092828.625 peak=631 ppm1=1.615 ppm2=8.733
assign ( resid 42 and name HG3
)
( resid 43 and name H
) 4.1 0.8 0.8 volume=54391321.625 peak=632 ppm1=2.063 ppm2=8.990
assign ( resid 22 and name HB3
)
( resid 19 and name HA
) 3.2 0.6 0.6 volume=258216879.500 peak=635 ppm1=2.044 ppm2=3.997
assign ( resid 22 and name HB3
)
( resid 22 and name HB2
) 2.0 0.3 0.4 volume=4130029112.000 peak=636 ppm1=2.043 ppm2=1.934
assign ( resid 22 and name HG2
)
( resid 22 and name HB3
) 2.2 0.4 0.4 volume=481667450.000 peak=638 ppm1=1.802 ppm2=2.027
assign ( resid 22 and name HG2
)
( resid 22 and name HB2
) 2.8 0.6 0.6 volume=511072892.000 peak=639 ppm1=1.802 ppm2=1.930
assign ( resid 22 and name HG3
)
( resid 22 and name HG2
) 2.3 0.5 0.5 volume=1846552096.000 peak=640 ppm1=2.023 ppm2=1.802
assign ( resid 22 and name HG3
)
( resid 22 and name HB2
) 2.9 0.6 0.6 volume=505138527.000 peak=643 ppm1=2.023 ppm2=1.927
assign ( resid 22 and name HG3
)
( resid 95 and name HB2
) 4.5 0.9 0.9 volume=34241654.062 peak=644 ppm1=2.024 ppm2=2.909
assign ( resid 22 and name HG2
)
( resid 95 and name HB2
) 4.1 0.8 0.8 volume=55073006.375 peak=645 ppm1=1.803 ppm2=2.894
assign ( resid 22 and name HG3
)
( resid 22 and name HA
) 3.2 0.6 0.6 volume=254706045.500 peak=646 ppm1=2.023 ppm2=3.396
assign ( resid 22 and name HG2
)
( resid 22 and name HA
) 3.1 0.6 0.6 volume=294877057.000 peak=647 ppm1=1.802 ppm2=3.396
assign ( resid 22 and name HG3
)
( resid 19 and name HA
) 3.8 0.8 0.8 volume=89062382.250 peak=648 ppm1=2.023 ppm2=3.992
assign ( resid 22 and name HG2
)
( resid 19 and name HA
) 4.0 0.8 0.8 volume=64272121.875 peak=649 ppm1=1.801 ppm2=3.995
assign ( resid 22 and name HG3
)
( resid 23 and name H
) 3.1 0.6 0.6 volume=325780748.500 peak=650 ppm1=2.024 ppm2=7.986
assign ( resid 22 and name HG2
)
( resid 23 and name H
) 3.3 0.7 0.7 volume=224961974.500 peak=651 ppm1=1.802 ppm2=7.985
assign ( resid 23 and name HA
)
( resid 24 and name H
) 3.6 0.7 0.7 volume=128230409.250 peak=652 ppm1=4.033 ppm2=8.148
assign ( resid 23 and name HA
)
( resid 23 and name HG2
) 3.2 0.6 0.6 volume=266784993.500 peak=653 ppm1=4.030 ppm2=2.382
assign ( resid 23 and name HA
)
( resid 23 and name HG3
) 3.1 0.6 0.6 volume=212871929.250 peak=654 ppm1=4.030 ppm2=2.450
assign ( resid 23 and name HA
)
( resid 23 and name HB2
) 2.8 0.6 0.6 volume=552485445.000 peak=655 ppm1=4.029 ppm2=2.106
assign ( resid 23 and name HA
)
( resid 26 and name HB#
) 2.7 0.5 0.5 volume=657400782.000 peak=656 ppm1=4.029 ppm2=1.505
assign ( resid 23 and name HA
)
( resid 91 and name HG2#
) 4.4 0.9 0.9 volume=38856989.984 peak=657 ppm1=4.030 ppm2=1.020
assign ( resid 23 and name HB2
)
( resid 23 and name HG2
) 2.8 0.6 0.6 volume=525610452.000 peak=658 ppm1=2.129 ppm2=2.399
assign ( resid 23 and name HB3
)
( resid 23 and name HA
) 2.9 0.6 0.6 volume=495999799.000 peak=660 ppm1=2.080 ppm2=4.032
assign ( resid 26 and name HB#
)
( resid 23 and name HB3
) 3.4 0.7 0.7 volume=65005269.875 peak=661 ppm1=1.506 ppm2=2.109
assign ( resid 23 and name HB3
)
( resid 24 and name H
) 3.5 0.7 0.7 volume=160699154.250 peak=663 ppm1=2.081 ppm2=8.139
assign ( resid 23 and name HB3
)
( resid 23 and name H
) 2.9 0.6 0.6 volume=467856380.000 peak=664 ppm1=2.081 ppm2=7.975
assign ( resid 23 and name HB2
)
( resid 24 and name H
) 3.5 0.7 0.7 volume=157740285.750 peak=665 ppm1=2.131 ppm2=8.138
assign ( resid 23 and name HB2
)
( resid 23 and name H
) 2.9 0.6 0.6 volume=435312524.000 peak=666 ppm1=2.132 ppm2=7.975
assign ( resid 23 and name HB3
)
( resid 20 and name HA
) 3.0 0.6 0.6 volume=372964725.000 peak=667 ppm1=2.081 ppm2=4.091
assign ( resid 23 and name HB2
)
( resid 20 and name HA
) 3.1 0.6 0.6 volume=297619821.000 peak=668 ppm1=2.131 ppm2=4.093
assign ( resid 23 and name HG3
)
( resid 23 and name HG2
) 1.9 0.2 0.4 volume=6308275792.000 peak=670 ppm1=2.453 ppm2=2.383
assign ( resid 23 and name HG3
)
( resid 20 and name HA
) 3.8 0.8 0.8 volume=85985734.688 peak=671 ppm1=2.450 ppm2=4.107
assign ( resid 23 and name HG2
)
( resid 20 and name HA
) 3.7 0.7 0.7 volume=103325837.492 peak=672 ppm1=2.382 ppm2=4.106
assign ( resid 23 and name HG3
)
( resid 23 and name H
) 3.3 0.7 0.7 volume=219780188.750 peak=673 ppm1=2.452 ppm2=7.975
assign ( resid 23 and name HG3
)
( resid 24 and name H
) 4.2 0.8 0.8 volume=52052306.625 peak=674 ppm1=2.451 ppm2=8.143
assign ( resid 24 and name HA
)
( resid 24 and name H
) 3.2 0.6 0.6 volume=266035404.500 peak=675 ppm1=3.893 ppm2=8.148
assign ( resid 24 and name HA
)
( resid 28 and name H
) 4.3 0.9 0.9 volume=44462207.625 peak=676 ppm1=3.892 ppm2=7.470
assign ( resid 24 and name HA
)
( resid 26 and name H
) 4.4 0.9 0.9 volume=35105719.000 peak=677 ppm1=3.892 ppm2=9.024
assign ( resid 24 and name HA
)
( resid 27 and name HB
) 3.2 0.6 0.6 volume=261812588.500 peak=678 ppm1=3.891 ppm2=4.240
assign ( resid 24 and name HB
)
( resid 24 and name HA
) 3.2 0.6 0.6 volume=241112378.500 peak=679 ppm1=4.199 ppm2=3.899
assign ( resid 24 and name HA
)
( resid 23 and name HB3
) 4.2 0.8 0.8 volume=50596375.250 peak=680 ppm1=3.894 ppm2=2.104
assign ( resid 24 and name HA
)
( resid 28 and name HB2
) 4.4 0.9 0.9 volume=35961373.188 peak=681 ppm1=3.893 ppm2=1.925
assign ( resid 24 and name HA
)
( resid 13 and name HD2#
) 3.8 0.8 0.8 volume=96302305.875 peak=682 ppm1=3.893 ppm2=0.761
assign ( resid 24 and name HA
)
( resid 24 and name HG2#
) 2.7 0.5 0.5 volume=674698222.000 peak=683 ppm1=3.892 ppm2=1.034
assign ( resid 24 and name HA
)
( resid 27 and name HG2#
) 3.5 0.7 0.7 volume=137415420.500 peak=684 ppm1=3.890 ppm2=1.247
assign ( resid 96 and name HB
)
( resid 96 and name H
) 2.9 0.6 0.6 volume=418655956.000 peak=685 ppm1=4.166 ppm2=8.230
assign ( resid 27 and name HB
)
( resid 27 and name H
) 2.7 0.5 0.5 volume=639704658.000 peak=686 ppm1=4.253 ppm2=8.169
assign ( resid 24 and name HB
)
( resid 24 and name H
) 3.0 0.6 0.6 volume=346073995.000 peak=687 ppm1=4.195 ppm2=8.137
assign ( resid 35 and name HB
)
( resid 35 and name H
) 2.9 0.6 0.6 volume=443281589.000 peak=688 ppm1=4.291 ppm2=8.057
assign ( resid 96 and name HB
)
( resid 97 and name H
) 3.1 0.6 0.6 volume=314566252.500 peak=689 ppm1=4.167 ppm2=7.769
assign ( resid 35 and name HB
)
( resid 36 and name H
) 3.0 0.6 0.6 volume=342843785.500 peak=690 ppm1=4.290 ppm2=7.771
assign ( resid 27 and name HB
)
( resid 26 and name H
) 4.2 0.8 0.8 volume=50901390.062 peak=691 ppm1=4.199 ppm2=9.009
assign ( resid 21 and name HA
)
( resid 24 and name HB
) 3.5 0.7 0.7 volume=158844727.250 peak=693 ppm1=3.729 ppm2=4.183
assign ( resid 24 and name HB
)
( resid 25 and name HB2
) 3.9 0.8 0.8 volume=83138013.000 peak=694 ppm1=4.196 ppm2=1.935
assign ( resid 24 and name HB
)
( resid 23 and name HB3
) 4.1 0.8 0.8 volume=54741421.750 peak=695 ppm1=4.203 ppm2=2.096
assign ( resid 24 and name HB
)
( resid 13 and name HD2#
) 2.8 0.6 0.6 volume=542609597.000 peak=697 ppm1=4.196 ppm2=0.753
assign ( resid 24 and name HG2#
)
( resid 9 and name HD1#
) 2.6 0.5 0.5 volume=968441902.000 peak=698 ppm1=1.036 ppm2=0.813
assign ( resid 24 and name HG2#
)
( resid 25 and name HB2
) 3.3 0.7 0.7 volume=229943427.500 peak=699 ppm1=1.034 ppm2=1.946
assign ( resid 24 and name HG2#
)
( resid 12 and name HG3
) 3.3 0.7 0.7 volume=199836021.000 peak=700 ppm1=1.035 ppm2=1.780
assign ( resid 24 and name HG2#
)
( resid 28 and name HG
) 3.6 0.7 0.7 volume=118615631.875 peak=701 ppm1=1.035 ppm2=1.617
assign ( resid 24 and name HG2#
)
( resid 9 and name HG
) 4.0 0.8 0.8 volume=65823182.129 peak=702 ppm1=1.036 ppm2=1.481
assign ( resid 24 and name HG2#
)
( resid 24 and name HB
) 2.7 0.5 0.5 volume=756616764.000 peak=705 ppm1=1.034 ppm2=4.195
assign ( resid 24 and name HG2#
)
( resid 25 and name HA
) 3.2 0.6 0.6 volume=264719027.000 peak=706 ppm1=1.035 ppm2=4.073
assign ( resid 24 and name HG2#
)
( resid 24 and name H
) 3.3 0.7 0.7 volume=229578469.250 peak=707 ppm1=1.034 ppm2=8.140
assign ( resid 24 and name HG2#
)
( resid 28 and name H
) 4.0 0.8 0.8 volume=62942893.438 peak=708 ppm1=1.036 ppm2=7.487
assign ( resid 24 and name HG2#
)
( resid 29 and name H
) 4.6 0.9 0.9 volume=28977211.473 peak=709 ppm1=1.035 ppm2=8.746
assign ( resid 25 and name HA
)
( resid 26 and name H
) 4.0 0.8 0.8 volume=70515839.500 peak=710 ppm1=4.073 ppm2=9.009
assign ( resid 25 and name HA
)
( resid 29 and name H
) 4.1 0.8 0.8 volume=53540506.500 peak=711 ppm1=4.073 ppm2=8.735
assign ( resid 25 and name HA
)
( resid 24 and name HB
) 3.9 0.8 0.8 volume=81900220.500 peak=712 ppm1=4.073 ppm2=4.195
assign ( resid 62 and name HA
)
( resid 61 and name HA
) 4.1 0.8 0.8 volume=56946512.312 peak=713 ppm1=4.081 ppm2=3.629
assign ( resid 62 and name HA
)
( resid 65 and name HB2
) 3.3 0.7 0.7 volume=210692549.500 peak=714 ppm1=4.083 ppm2=2.048
assign ( resid 62 and name HA
)
( resid 62 and name HD1#
) 2.7 0.5 0.5 volume=534236094.000 peak=717 ppm1=4.081 ppm2=0.977
assign ( resid 25 and name HB3
)
( resid 25 and name HA
) 3.3 0.7 0.7 volume=185514025.500 peak=719 ppm1=1.249 ppm2=4.073
assign ( resid 25 and name HB3
)
( resid 26 and name H
) 3.9 0.8 0.8 volume=82792452.375 peak=720 ppm1=1.251 ppm2=9.008
assign ( resid 25 and name HB2
)
( resid 25 and name HB3
) 2.9 0.6 0.6 volume=456274129.000 peak=721 ppm1=1.928 ppm2=1.255
assign ( resid 25 and name HB2
)
( resid 29 and name HG1#
) 3.1 0.6 0.6 volume=335871469.000 peak=722 ppm1=1.928 ppm2=1.010
assign ( resid 25 and name HB3
)
( resid 25 and name HD1#
) 2.8 0.6 0.6 volume=540436244.000 peak=723 ppm1=1.252 ppm2=0.773
assign ( resid 28 and name HD2#
)
( resid 32 and name H
) 3.8 0.8 0.8 volume=84575347.531 peak=724 ppm1=0.799 ppm2=8.253
assign ( resid 28 and name HD2#
)
( resid 28 and name H
) 3.6 0.7 0.7 volume=128402018.562 peak=725 ppm1=0.806 ppm2=7.480
assign ( resid 28 and name HD1#
)
( resid 28 and name H
) 3.6 0.7 0.7 volume=119949258.875 peak=726 ppm1=0.691 ppm2=7.472
assign ( resid 28 and name HD1#
)
( resid 29 and name H
) 3.6 0.7 0.7 volume=116271428.750 peak=727 ppm1=0.690 ppm2=8.734
assign ( resid 28 and name HD1#
)
( resid 32 and name H
) 4.3 0.9 0.9 volume=44637565.000 peak=728 ppm1=0.691 ppm2=8.284
assign ( resid 28 and name HD1#
)
( resid 25 and name HA
) 3.0 0.6 0.6 volume=347648039.000 peak=730 ppm1=0.689 ppm2=4.076
assign ( resid 28 and name HD1#
)
( resid 29 and name HA
) 3.4 0.7 0.7 volume=189368180.750 peak=731 ppm1=0.690 ppm2=3.448
assign ( resid 28 and name HD1#
)
( resid 71 and name HB3
) 3.3 0.7 0.7 volume=215474098.250 peak=732 ppm1=0.689 ppm2=2.748
assign ( resid 28 and name HD1#
)
( resid 71 and name HB2
) 3.3 0.7 0.7 volume=192990244.250 peak=733 ppm1=0.690 ppm2=2.622
assign ( resid 28 and name HD1#
)
( resid 28 and name HB2
) 2.8 0.6 0.6 volume=529580980.000 peak=734 ppm1=0.689 ppm2=1.926
assign ( resid 28 and name HD1#
)
( resid 28 and name HG
) 3.2 0.6 0.6 volume=277770490.000 peak=736 ppm1=0.690 ppm2=1.617
assign ( resid 28 and name HD1#
)
( resid 25 and name HB3
) 3.8 0.8 0.8 volume=96553894.000 peak=737 ppm1=0.690 ppm2=1.235
assign ( resid 32 and name HA
)
( resid 32 and name H
) 3.1 0.6 0.6 volume=302520896.500 peak=738 ppm1=4.098 ppm2=8.265
assign ( resid 32 and name HA
)
( resid 35 and name H
) 3.7 0.7 0.7 volume=103414037.000 peak=739 ppm1=4.098 ppm2=8.059
assign ( resid 32 and name HA
)
( resid 34 and name H
) 3.3 0.7 0.7 volume=199745812.000 peak=740 ppm1=4.088 ppm2=8.364
assign ( resid 11 and name HA
)
( resid 11 and name H
) 2.9 0.6 0.6 volume=154858884.000 peak=741 ppm1=4.090 ppm2=7.811
assign ( resid 26 and name HA
)
( resid 29 and name H
) 3.6 0.7 0.7 volume=91466169.250 peak=742 ppm1=4.088 ppm2=8.757
assign ( resid 26 and name HA
)
( resid 26 and name H
) 3.1 0.6 0.6 volume=34605885.219 peak=743 ppm1=4.159 ppm2=9.009
assign ( resid 32 and name HA
)
( resid 35 and name HG2#
) 3.0 0.6 0.6 volume=403286049.000 peak=746 ppm1=4.098 ppm2=1.229
assign ( resid 26 and name HB#
)
( resid 26 and name H
) 2.5 0.5 0.5 volume=1128618914.000 peak=747 ppm1=1.506 ppm2=9.008
assign ( resid 26 and name HB#
)
( resid 27 and name H
) 2.8 0.6 0.6 volume=561775306.000 peak=748 ppm1=1.506 ppm2=8.169
assign ( resid 26 and name HB#
)
( resid 23 and name H
) 3.8 0.8 0.8 volume=91164752.500 peak=749 ppm1=1.506 ppm2=7.974
assign ( resid 26 and name HB#
)
( resid 25 and name H
) 3.7 0.7 0.7 volume=110468520.750 peak=750 ppm1=1.506 ppm2=7.876
assign ( resid 26 and name HB#
)
( resid 28 and name H
) 3.8 0.8 0.8 volume=89361289.500 peak=751 ppm1=1.507 ppm2=7.470
assign ( resid 26 and name HB#
)
( resid 26 and name HA
) 2.4 0.5 0.5 volume=1362024070.000 peak=752 ppm1=1.506 ppm2=4.158
assign ( resid 26 and name HB#
)
( resid 23 and name HG3
) 3.9 0.8 0.8 volume=77528696.250 peak=754 ppm1=1.505 ppm2=2.437
assign ( resid 26 and name HB#
)
( resid 23 and name HG2
) 3.7 0.7 0.7 volume=104421154.500 peak=755 ppm1=1.506 ppm2=2.361
assign ( resid 26 and name HB#
)
( resid 22 and name HB3
) 3.5 0.7 0.7 volume=149345125.500 peak=757 ppm1=1.506 ppm2=2.034
assign ( resid 26 and name HB#
)
( resid 22 and name HB2
) 3.3 0.7 0.7 volume=198897785.500 peak=758 ppm1=1.507 ppm2=1.941
assign ( resid 29 and name HB
)
( resid 26 and name HB#
) 3.5 0.7 0.7 volume=152956515.000 peak=759 ppm1=2.191 ppm2=1.503
assign ( resid 26 and name HB#
)
( resid 25 and name HD1#
) 4.1 0.8 0.8 volume=57501467.500 peak=760 ppm1=1.507 ppm2=0.807
assign ( resid 27 and name HA
)
( resid 30 and name HB#
) 2.9 0.6 0.6 volume=477856092.000 peak=761 ppm1=3.945 ppm2=1.589
assign ( resid 27 and name HA
)
( resid 31 and name HB#
) 3.7 0.7 0.7 volume=109537449.625 peak=762 ppm1=3.945 ppm2=1.490
assign ( resid 27 and name HG2#
)
( resid 27 and name HA
) 2.6 0.5 0.5 volume=701447212.000 peak=763 ppm1=1.254 ppm2=3.941
assign ( resid 27 and name HA
)
( resid 26 and name HA
) 4.1 0.8 0.8 volume=58053502.938 peak=764 ppm1=3.947 ppm2=4.144
assign ( resid 27 and name HA
)
( resid 27 and name HB
) 2.8 0.6 0.6 volume=266850698.500 peak=765 ppm1=3.945 ppm2=4.249
assign ( resid 27 and name HA
)
( resid 28 and name H
) 3.7 0.7 0.7 volume=112231831.125 peak=766 ppm1=3.945 ppm2=7.472
assign ( resid 27 and name HA
)
( resid 27 and name H
) 3.1 0.6 0.6 volume=291162994.000 peak=767 ppm1=3.946 ppm2=8.173
assign ( resid 27 and name HA
)
( resid 29 and name H
) 4.4 0.9 0.9 volume=37853971.688 peak=768 ppm1=3.949 ppm2=8.731
assign ( resid 27 and name HA
)
( resid 30 and name H
) 3.6 0.7 0.7 volume=122933951.500 peak=769 ppm1=3.946 ppm2=8.637
assign ( resid 27 and name HA
)
( resid 31 and name H
) 4.0 0.8 0.8 volume=68378620.250 peak=770 ppm1=3.949 ppm2=8.525
assign ( resid 27 and name HB
)
( resid 29 and name H
) 4.4 0.9 0.9 volume=35275925.906 peak=771 ppm1=4.252 ppm2=8.721
assign ( resid 27 and name HB
)
( resid 28 and name H
) 3.0 0.6 0.6 volume=339319893.000 peak=772 ppm1=4.254 ppm2=7.473
assign ( resid 7 and name HB
)
( resid 10 and name HB#
or resid 11 and name HB#
) 3.4 0.7 0.7 volume=173491722.500 peak=774 ppm1=4.243 ppm2=1.471
assign ( resid 67 and name HB
)
( resid 32 and name HB#
) 3.1 0.6 0.6 volume=283485522.000 peak=775 ppm1=4.234 ppm2=1.365
assign ( resid 27 and name HB
)
( resid 27 and name HG2#
) 2.3 0.5 0.5 volume=1799416492.000 peak=776 ppm1=4.255 ppm2=1.247
assign ( resid 27 and name HG2#
)
( resid 27 and name H
) 3.0 0.6 0.6 volume=354040579.000 peak=777 ppm1=1.253 ppm2=8.169
assign ( resid 27 and name HG2#
)
( resid 31 and name H
) 3.4 0.7 0.7 volume=184354011.750 peak=778 ppm1=1.250 ppm2=8.524
assign ( resid 27 and name HG2#
)
( resid 30 and name H
) 4.5 0.9 0.9 volume=34515586.316 peak=779 ppm1=1.253 ppm2=8.629
assign ( resid 27 and name HG2#
)
( resid 28 and name H
) 3.3 0.7 0.7 volume=220192766.750 peak=780 ppm1=1.254 ppm2=7.476
assign ( resid 27 and name HG2#
)
( resid 42 and name HB3
) 3.6 0.7 0.7 volume=120230645.375 peak=783 ppm1=1.257 ppm2=2.034
assign ( resid 27 and name HG2#
)
( resid 28 and name HB2
) 3.6 0.7 0.7 volume=132005251.000 peak=784 ppm1=1.253 ppm2=1.930
assign ( resid 67 and name HG2#
)
( resid 28 and name HD2#
) 3.0 0.6 0.6 volume=372449857.000 peak=785 ppm1=1.259 ppm2=0.811
assign ( resid 28 and name HA
)
( resid 28 and name HD1#
) 3.4 0.7 0.7 volume=169070309.500 peak=787 ppm1=4.167 ppm2=0.691
assign ( resid 28 and name HA
)
( resid 31 and name HB#
) 2.9 0.6 0.6 volume=431018445.000 peak=789 ppm1=4.168 ppm2=1.481
assign ( resid 28 and name HA
)
( resid 32 and name HB#
) 4.8 1.0 1.0 volume=23256482.355 peak=790 ppm1=4.165 ppm2=1.363
assign ( resid 28 and name HA
)
( resid 28 and name HB2
) 3.1 0.6 0.6 volume=328052443.500 peak=791 ppm1=4.168 ppm2=1.927
assign ( resid 28 and name HB3
)
( resid 28 and name HA
) 2.9 0.6 0.6 volume=479202683.000 peak=792 ppm1=1.727 ppm2=4.165
assign ( resid 28 and name HA
)
( resid 28 and name HG
) 3.0 0.6 0.6 volume=314211456.000 peak=793 ppm1=4.167 ppm2=1.611
assign ( resid 28 and name HA
)
( resid 28 and name H
) 3.1 0.6 0.6 volume=289434915.000 peak=794 ppm1=4.167 ppm2=7.475
assign ( resid 28 and name HA
)
( resid 32 and name H
) 4.1 0.8 0.8 volume=56741450.062 peak=795 ppm1=4.163 ppm2=8.256
assign ( resid 28 and name HA
)
( resid 29 and name H
) 3.8 0.8 0.8 volume=93407005.125 peak=796 ppm1=4.169 ppm2=8.730
assign ( resid 28 and name HA
)
( resid 31 and name H
) 3.7 0.7 0.7 volume=104646158.125 peak=797 ppm1=4.166 ppm2=8.523
assign ( resid 28 and name HB3
)
( resid 28 and name HB2
) 2.6 0.5 0.5 volume=921275696.000 peak=799 ppm1=1.727 ppm2=1.926
assign ( resid 28 and name HB2
)
( resid 29 and name HB
) 4.3 0.9 0.9 volume=43511056.688 peak=800 ppm1=1.930 ppm2=2.199
assign ( resid 25 and name HB2
)
( resid 22 and name HA
) 3.7 0.7 0.7 volume=113009767.500 peak=801 ppm1=1.926 ppm2=3.415
assign ( resid 28 and name HB3
)
( resid 25 and name HA
) 3.4 0.7 0.7 volume=177366651.000 peak=804 ppm1=1.728 ppm2=4.069
assign ( resid 28 and name HB2
)
( resid 28 and name H
) 3.0 0.6 0.6 volume=362051658.500 peak=805 ppm1=1.926 ppm2=7.476
assign ( resid 28 and name HB3
)
( resid 28 and name H
) 3.0 0.6 0.6 volume=359471496.500 peak=806 ppm1=1.727 ppm2=7.473
assign ( resid 28 and name HB2
)
( resid 29 and name H
) 3.4 0.7 0.7 volume=189448000.000 peak=807 ppm1=1.927 ppm2=8.733
assign ( resid 28 and name HG
)
( resid 28 and name HB3
) 2.8 0.6 0.6 volume=385543123.000 peak=809 ppm1=1.616 ppm2=1.732
assign ( resid 28 and name HB2
)
( resid 31 and name HB#
) 3.7 0.7 0.7 volume=98604306.375 peak=810 ppm1=1.926 ppm2=1.490
assign ( resid 28 and name HB3
)
( resid 25 and name HB3
) 4.2 0.8 0.8 volume=52115989.250 peak=811 ppm1=1.726 ppm2=1.246
assign ( resid 28 and name HB3
)
( resid 29 and name HG2#
) 3.8 0.8 0.8 volume=83980431.625 peak=812 ppm1=1.725 ppm2=1.012
assign ( resid 28 and name HB3
)
( resid 28 and name HD2#
) 2.8 0.6 0.6 volume=357867701.500 peak=813 ppm1=1.727 ppm2=0.802
assign ( resid 28 and name HB3
)
( resid 28 and name HD1#
) 3.0 0.6 0.6 volume=296493632.000 peak=814 ppm1=1.727 ppm2=0.694
assign ( resid 45 and name HG12
)
( resid 45 and name HA
) 3.4 0.7 0.7 volume=181917936.750 peak=816 ppm1=1.615 ppm2=3.952
assign ( resid 28 and name HG
)
( resid 28 and name H
) 3.4 0.7 0.7 volume=185784995.000 peak=817 ppm1=1.616 ppm2=7.490
assign ( resid 28 and name HG
)
( resid 27 and name H
) 4.2 0.8 0.8 volume=46961554.188 peak=818 ppm1=1.623 ppm2=8.167
assign ( resid 28 and name HG
)
( resid 25 and name HA
) 3.8 0.8 0.8 volume=93717592.250 peak=819 ppm1=1.619 ppm2=4.067
assign ( resid 28 and name HG
)
( resid 29 and name HA
) 4.1 0.8 0.8 volume=59895836.406 peak=820 ppm1=1.612 ppm2=3.441
assign ( resid 28 and name HB2
)
( resid 28 and name HG
) 2.9 0.6 0.6 volume=418709718.000 peak=823 ppm1=1.926 ppm2=1.613
assign ( resid 45 and name HG12
)
( resid 45 and name HG13
) 2.7 0.5 0.5 volume=688931568.000 peak=825 ppm1=1.614 ppm2=1.394
assign ( resid 45 and name HG12
)
( resid 41 and name HG2#
) 4.0 0.8 0.8 volume=68082120.375 peak=826 ppm1=1.616 ppm2=1.176
assign ( resid 45 and name HG2#
)
( resid 45 and name HG12
) 2.6 0.5 0.5 volume=778447677.000 peak=827 ppm1=0.713 ppm2=1.602
assign ( resid 54 and name HG
)
( resid 54 and name HA
) 3.7 0.7 0.7 volume=99458470.000 peak=828 ppm1=1.630 ppm2=4.316
assign ( resid 54 and name HG
)
( resid 51 and name HA
) 4.0 0.8 0.8 volume=70519929.500 peak=829 ppm1=1.628 ppm2=4.106
assign ( resid 54 and name HD2#
)
( resid 51 and name HD#
) 3.3 0.7 0.7 volume=212807814.250 peak=830 ppm1=0.706 ppm2=7.083
assign ( resid 28 and name HD2#
)
( resid 28 and name HB2
) 2.6 0.5 0.5 volume=810507999.000 peak=831 ppm1=0.801 ppm2=1.918
assign ( resid 28 and name HA
)
( resid 28 and name HD2#
) 2.8 0.6 0.6 volume=572445642.000 peak=832 ppm1=4.168 ppm2=0.807
assign ( resid 28 and name HD2#
)
( resid 33 and name H
) 3.5 0.7 0.7 volume=136844512.250 peak=833 ppm1=0.808 ppm2=8.157
assign ( resid 28 and name HD2#
)
( resid 32 and name HA
) 2.9 0.6 0.6 volume=445282963.000 peak=834 ppm1=0.803 ppm2=4.089
assign ( resid 28 and name HD2#
)
( resid 71 and name HB3
) 3.3 0.7 0.7 volume=203259377.875 peak=835 ppm1=0.806 ppm2=2.741
assign ( resid 28 and name HD2#
)
( resid 71 and name HB2
) 3.5 0.7 0.7 volume=153047165.125 peak=836 ppm1=0.803 ppm2=2.622
assign ( resid 31 and name HB#
)
( resid 28 and name HD2#
) 2.7 0.5 0.5 volume=774471469.000 peak=838 ppm1=1.476 ppm2=0.799
assign ( resid 28 and name HD2#
)
( resid 29 and name H
) 4.1 0.8 0.8 volume=57396526.836 peak=839 ppm1=0.805 ppm2=8.726
assign ( resid 29 and name HB
)
( resid 28 and name HD1#
) 3.5 0.7 0.7 volume=54636091.469 peak=840 ppm1=2.197 ppm2=0.705
assign ( resid 28 and name HD2#
)
( resid 29 and name HB
) 3.9 0.8 0.8 volume=76375700.375 peak=841 ppm1=0.810 ppm2=2.213
assign ( resid 28 and name HD1#
)
( resid 28 and name HD2#
) 2.3 0.5 0.5 volume=1835593384.000 peak=842 ppm1=0.689 ppm2=0.811
assign ( resid 29 and name HA
)
( resid 29 and name HG2#
) 2.7 0.5 0.5 volume=744645994.000 peak=844 ppm1=3.444 ppm2=0.998
assign ( resid 29 and name HA
)
( resid 94 and name HD1#
) 2.8 0.6 0.6 volume=576054394.000 peak=845 ppm1=3.443 ppm2=0.696
assign ( resid 29 and name HB
)
( resid 29 and name HA
) 3.4 0.7 0.7 volume=177756496.250 peak=846 ppm1=2.191 ppm2=3.445
assign ( resid 29 and name HA
)
( resid 28 and name HB2
) 4.1 0.8 0.8 volume=53662410.250 peak=847 ppm1=3.441 ppm2=1.928
assign ( resid 29 and name HA
)
( resid 28 and name HB3
) 4.5 0.9 0.9 volume=32775572.438 peak=848 ppm1=3.445 ppm2=1.724
assign ( resid 29 and name HA
)
( resid 31 and name HB#
) 4.5 0.9 0.9 volume=34147827.000 peak=850 ppm1=3.441 ppm2=1.485
assign ( resid 29 and name HA
)
( resid 32 and name HB#
) 3.0 0.6 0.6 volume=281692265.000 peak=851 ppm1=3.444 ppm2=1.364
assign ( resid 29 and name HA
)
( resid 67 and name HG2#
) 4.5 0.9 0.9 volume=32848428.906 peak=852 ppm1=3.445 ppm2=1.238
assign ( resid 29 and name HA
)
( resid 28 and name HA
) 4.1 0.8 0.8 volume=54725917.188 peak=853 ppm1=3.443 ppm2=4.156
assign ( resid 29 and name HA
)
( resid 32 and name H
) 3.8 0.8 0.8 volume=93359486.375 peak=854 ppm1=3.443 ppm2=8.265
assign ( resid 29 and name HA
)
( resid 29 and name H
) 3.3 0.7 0.7 volume=215983169.000 peak=855 ppm1=3.444 ppm2=8.732
assign ( resid 29 and name HA
)
( resid 30 and name H
) 3.8 0.8 0.8 volume=84047078.000 peak=856 ppm1=3.442 ppm2=8.638
assign ( resid 29 and name HA
)
( resid 31 and name H
) 4.5 0.9 0.9 volume=32831858.250 peak=857 ppm1=3.440 ppm2=8.528
assign ( resid 29 and name HB
)
( resid 28 and name H
) 4.2 0.8 0.8 volume=47477716.875 peak=858 ppm1=2.188 ppm2=7.480
assign ( resid 29 and name HB
)
( resid 29 and name H
) 3.0 0.6 0.6 volume=400632109.000 peak=859 ppm1=2.191 ppm2=8.734
assign ( resid 29 and name HB
)
( resid 30 and name H
) 3.3 0.7 0.7 volume=214638692.500 peak=860 ppm1=2.191 ppm2=8.633
assign ( resid 29 and name HB
)
( resid 26 and name HA
) 3.2 0.6 0.6 volume=278556682.500 peak=861 ppm1=2.197 ppm2=4.152
assign ( resid 29 and name HB
)
( resid 29 and name HG2#
) 2.6 0.5 0.5 volume=810440304.000 peak=865 ppm1=2.191 ppm2=1.013
assign ( resid 29 and name HG2#
)
( resid 32 and name HB#
) 3.6 0.7 0.7 volume=131196424.500 peak=871 ppm1=1.049 ppm2=1.343
assign ( resid 29 and name HG2#
)
( resid 64 and name HD1#
) 3.9 0.8 0.8 volume=73489664.500 peak=872 ppm1=1.050 ppm2=0.391
assign ( resid 29 and name HG1#
)
( resid 29 and name HA
) 2.5 0.5 0.5 volume=1079132794.000 peak=873 ppm1=0.986 ppm2=3.447
assign ( resid 62 and name HD1#
)
( resid 65 and name HA
) 4.1 0.8 0.8 volume=59656248.750 peak=874 ppm1=0.990 ppm2=3.638
assign ( resid 29 and name HG1#
)
( resid 28 and name HA
) 3.2 0.6 0.6 volume=258564745.750 peak=876 ppm1=0.983 ppm2=4.163
assign ( resid 62 and name HD1#
)
( resid 66 and name HA
) 3.4 0.7 0.7 volume=188023441.000 peak=877 ppm1=0.986 ppm2=4.358
assign ( resid 29 and name HG1#
)
( resid 33 and name HG1
) 4.2 0.8 0.8 volume=51342112.938 peak=878 ppm1=0.993 ppm2=4.553
assign ( resid 62 and name HD1#
)
( resid 66 and name HB2
) 3.6 0.7 0.7 volume=124583718.500 peak=879 ppm1=0.985 ppm2=2.971
assign ( resid 29 and name HG1#
)
( resid 29 and name HB
) 2.6 0.5 0.5 volume=896876626.000 peak=880 ppm1=0.986 ppm2=2.185
assign ( resid 62 and name HD1#
)
( resid 78 and name HB2
) 3.6 0.7 0.7 volume=130967834.375 peak=881 ppm1=0.987 ppm2=2.307
assign ( resid 29 and name HG1#
)
( resid 28 and name HB2
) 3.1 0.6 0.6 volume=318178879.500 peak=882 ppm1=0.986 ppm2=1.915
assign ( resid 62 and name HD1#
)
( resid 62 and name HG
) 2.5 0.5 0.5 volume=1067149205.000 peak=883 ppm1=0.988 ppm2=1.744
assign ( resid 29 and name HG1#
)
( resid 28 and name HD1#
) 2.3 0.5 0.5 volume=1674721488.000 peak=885 ppm1=0.987 ppm2=0.705
assign ( resid 62 and name HD1#
)
( resid 66 and name HD21
) 3.5 0.7 0.7 volume=149605402.625 peak=886 ppm1=0.986 ppm2=6.878
assign ( resid 62 and name HD1#
)
( resid 62 and name H
) 3.4 0.7 0.7 volume=167881240.750 peak=887 ppm1=0.985 ppm2=7.133
assign ( resid 29 and name HG1#
)
( resid 28 and name H
) 3.4 0.7 0.7 volume=162471397.047 peak=888 ppm1=0.989 ppm2=7.469
assign ( resid 62 and name HD1#
)
( resid 65 and name H
) 2.7 0.5 0.5 volume=95386757.938 peak=889 ppm1=0.992 ppm2=7.785
assign ( resid 29 and name HG1#
)
( resid 29 and name H
) 2.8 0.6 0.6 volume=612169604.000 peak=890 ppm1=0.987 ppm2=8.732
assign ( resid 29 and name HG1#
)
( resid 30 and name H
) 3.6 0.7 0.7 volume=122424927.000 peak=891 ppm1=0.985 ppm2=8.618
assign ( resid 29 and name HG1#
)
( resid 31 and name H
) 4.2 0.8 0.8 volume=52884515.281 peak=892 ppm1=0.983 ppm2=8.521
assign ( resid 30 and name HA
)
( resid 31 and name H
) 3.9 0.8 0.8 volume=77276365.000 peak=893 ppm1=3.955 ppm2=8.528
assign ( resid 30 and name HA
)
( resid 30 and name H
) 3.2 0.6 0.6 volume=235081604.750 peak=894 ppm1=3.955 ppm2=8.636
assign ( resid 30 and name HA
)
( resid 32 and name H
) 4.3 0.9 0.9 volume=40490043.094 peak=895 ppm1=3.956 ppm2=8.274
assign ( resid 30 and name HA
)
( resid 34 and name H
) 4.2 0.8 0.8 volume=49215070.062 peak=896 ppm1=3.957 ppm2=8.383
assign ( resid 83 and name HA
)
( resid 83 and name H
) 3.4 0.7 0.7 volume=187906679.250 peak=897 ppm1=3.968 ppm2=7.959
assign ( resid 83 and name HA
)
( resid 82 and name H
) 4.1 0.8 0.8 volume=58808077.000 peak=898 ppm1=3.967 ppm2=7.479
assign ( resid 83 and name HA
)
( resid 84 and name H
) 3.8 0.8 0.8 volume=86859956.125 peak=899 ppm1=3.966 ppm2=7.313
assign ( resid 30 and name HA
)
( resid 33 and name HG1
) 3.6 0.7 0.7 volume=123378723.500 peak=900 ppm1=3.955 ppm2=4.549
assign ( resid 30 and name HA
)
( resid 33 and name HB
) 3.4 0.7 0.7 volume=176472921.000 peak=901 ppm1=3.955 ppm2=4.247
assign ( resid 83 and name HB2
)
( resid 83 and name HA
) 3.2 0.6 0.6 volume=242468581.500 peak=902 ppm1=2.272 ppm2=3.972
assign ( resid 30 and name HA
)
( resid 30 and name HB#
) 2.4 0.5 0.5 volume=881640318.000 peak=904 ppm1=3.955 ppm2=1.589
assign ( resid 30 and name HA
)
( resid 31 and name HB#
) 4.4 0.9 0.9 volume=38230665.312 peak=905 ppm1=3.955 ppm2=1.470
assign ( resid 32 and name HB#
)
( resid 30 and name HA
) 3.6 0.7 0.7 volume=65726152.625 peak=906 ppm1=1.367 ppm2=3.974
assign ( resid 30 and name HA
)
( resid 33 and name HG2#
) 4.3 0.9 0.9 volume=42212364.475 peak=907 ppm1=3.956 ppm2=1.186
assign ( resid 30 and name HA
)
( resid 29 and name HG2#
) 3.8 0.8 0.8 volume=93995461.625 peak=908 ppm1=3.956 ppm2=1.044
assign ( resid 30 and name HA
)
( resid 45 and name HG2#
) 3.0 0.6 0.6 volume=348326990.000 peak=909 ppm1=3.954 ppm2=0.701
assign ( resid 30 and name HB#
)
( resid 29 and name HG2#
) 3.3 0.7 0.7 volume=116133881.375 peak=911 ppm1=1.587 ppm2=1.044
assign ( resid 30 and name HB#
)
( resid 27 and name HG2#
) 3.5 0.7 0.7 volume=137260956.250 peak=912 ppm1=1.587 ppm2=1.235
assign ( resid 30 and name HB#
)
( resid 33 and name HG2#
) 4.6 0.9 0.9 volume=29418275.485 peak=913 ppm1=1.591 ppm2=1.149
assign ( resid 30 and name HB#
)
( resid 45 and name HG2#
) 2.9 0.6 0.6 volume=481910963.000 peak=914 ppm1=1.588 ppm2=0.700
assign ( resid 30 and name HB#
)
( resid 29 and name HG1#
) 3.1 0.6 0.6 volume=100555890.125 peak=915 ppm1=1.590 ppm2=0.993
assign ( resid 30 and name HB#
)
( resid 87 and name HB2
) 3.4 0.7 0.7 volume=161899906.000 peak=916 ppm1=1.587 ppm2=1.960
assign ( resid 30 and name HB#
)
( resid 45 and name HB
) 2.9 0.6 0.6 volume=465036227.000 peak=917 ppm1=1.588 ppm2=2.108
assign ( resid 30 and name HB#
)
( resid 34 and name HA
) 4.3 0.9 0.9 volume=42447384.562 peak=918 ppm1=1.593 ppm2=3.640
assign ( resid 29 and name HA
)
( resid 30 and name HB#
) 3.8 0.8 0.8 volume=40122336.594 peak=919 ppm1=3.446 ppm2=1.602
assign ( resid 30 and name HB#
)
( resid 27 and name HB
) 3.7 0.7 0.7 volume=103362934.527 peak=922 ppm1=1.591 ppm2=4.265
assign ( resid 30 and name HB#
)
( resid 33 and name HG1
) 4.1 0.8 0.8 volume=55841787.625 peak=923 ppm1=1.590 ppm2=4.557
assign ( resid 30 and name HB#
)
( resid 28 and name H
) 3.8 0.8 0.8 volume=91029648.688 peak=924 ppm1=1.589 ppm2=7.503
assign ( resid 30 and name HB#
)
( resid 32 and name H
) 4.1 0.8 0.8 volume=60699537.062 peak=925 ppm1=1.590 ppm2=8.273
assign ( resid 30 and name HB#
)
( resid 33 and name H
) 3.8 0.8 0.8 volume=91927907.625 peak=926 ppm1=1.590 ppm2=8.179
assign ( resid 30 and name HB#
)
( resid 30 and name H
) 2.6 0.5 0.5 volume=987107286.000 peak=927 ppm1=1.589 ppm2=8.637
assign ( resid 30 and name HB#
)
( resid 31 and name H
) 2.8 0.6 0.6 volume=512915234.500 peak=928 ppm1=1.588 ppm2=8.525
assign ( resid 30 and name HB#
)
( resid 34 and name H
) 4.3 0.9 0.9 volume=42798838.438 peak=929 ppm1=1.592 ppm2=8.376
assign ( resid 30 and name HB#
)
( resid 29 and name H
) 4.0 0.8 0.8 volume=69176260.812 peak=930 ppm1=1.591 ppm2=8.748
assign ( resid 31 and name HA
)
( resid 31 and name H
) 3.2 0.6 0.6 volume=276951125.500 peak=931 ppm1=4.007 ppm2=8.527
assign ( resid 31 and name HA
)
( resid 34 and name H
) 4.0 0.8 0.8 volume=68286140.750 peak=932 ppm1=4.005 ppm2=8.379
assign ( resid 31 and name HA
)
( resid 32 and name H
) 3.7 0.7 0.7 volume=103947514.000 peak=933 ppm1=4.007 ppm2=8.268
assign ( resid 31 and name HA
)
( resid 35 and name H
) 4.5 0.9 0.9 volume=33746819.094 peak=934 ppm1=4.007 ppm2=8.062
assign ( resid 31 and name HA
)
( resid 42 and name HG2
) 3.3 0.7 0.7 volume=201933111.500 peak=935 ppm1=4.007 ppm2=1.935
assign ( resid 31 and name HA
)
( resid 30 and name HB#
) 3.9 0.8 0.8 volume=79379202.875 peak=936 ppm1=4.005 ppm2=1.598
assign ( resid 50 and name HB#
)
( resid 53 and name HA
) 4.0 0.8 0.8 volume=62107763.688 peak=939 ppm1=1.472 ppm2=4.571
assign ( resid 50 and name HB#
)
( resid 87 and name HD3
) 4.0 0.8 0.8 volume=68155239.482 peak=940 ppm1=1.476 ppm2=2.478
assign ( resid 50 and name HB#
)
( resid 85 and name HB2
) 3.8 0.8 0.8 volume=90516705.000 peak=941 ppm1=1.477 ppm2=2.254
assign ( resid 26 and name HA
)
( resid 91 and name HG2#
) 3.8 0.8 0.8 volume=85293737.250 peak=942 ppm1=4.098 ppm2=0.975
assign ( resid 32 and name HB#
)
( resid 29 and name H
) 4.0 0.8 0.8 volume=68153484.578 peak=943 ppm1=1.367 ppm2=8.717
assign ( resid 32 and name HB#
)
( resid 29 and name HB
) 4.1 0.8 0.8 volume=59982577.562 peak=944 ppm1=1.365 ppm2=2.208
assign ( resid 32 and name HB#
)
( resid 64 and name HD1#
) 3.6 0.7 0.7 volume=125042432.312 peak=945 ppm1=1.368 ppm2=0.374
assign ( resid 33 and name HA
)
( resid 64 and name HD1#
) 3.7 0.7 0.7 volume=112938978.250 peak=946 ppm1=3.608 ppm2=0.390
assign ( resid 32 and name HB#
)
( resid 33 and name HA
) 3.6 0.7 0.7 volume=97552469.500 peak=947 ppm1=1.363 ppm2=3.619
assign ( resid 33 and name HA
)
( resid 33 and name HG2#
) 2.8 0.6 0.6 volume=430402588.000 peak=948 ppm1=3.607 ppm2=1.186
assign ( resid 33 and name HA
)
( resid 30 and name HB#
) 4.3 0.9 0.9 volume=44440963.312 peak=949 ppm1=3.606 ppm2=1.590
assign ( resid 36 and name HB
)
( resid 33 and name HA
) 3.7 0.7 0.7 volume=64352326.750 peak=950 ppm1=2.119 ppm2=3.617
assign ( resid 33 and name HA
)
( resid 30 and name HA
) 3.9 0.8 0.8 volume=81810466.750 peak=951 ppm1=3.607 ppm2=3.949
assign ( resid 33 and name HA
)
( resid 34 and name H
) 3.8 0.8 0.8 volume=95985030.250 peak=953 ppm1=3.607 ppm2=8.372
assign ( resid 33 and name HA
)
( resid 36 and name H
) 4.2 0.8 0.8 volume=46837600.938 peak=954 ppm1=3.608 ppm2=7.772
assign ( resid 33 and name HA
)
( resid 56 and name HD1#
) 3.6 0.7 0.7 volume=133674855.625 peak=955 ppm1=3.609 ppm2=0.654
assign ( resid 33 and name HA
)
( resid 33 and name HB
) 3.0 0.6 0.6 volume=366858106.000 peak=957 ppm1=3.607 ppm2=4.251
assign ( resid 33 and name HG2#
)
( resid 33 and name HB
) 2.4 0.5 0.5 volume=351566531.000 peak=958 ppm1=1.185 ppm2=4.252
assign ( resid 33 and name HB
)
( resid 30 and name HB#
) 4.1 0.8 0.8 volume=61066337.375 peak=959 ppm1=4.262 ppm2=1.597
assign ( resid 33 and name HB
)
( resid 32 and name HB#
) 3.9 0.8 0.8 volume=79281345.750 peak=960 ppm1=4.252 ppm2=1.361
assign ( resid 75 and name HB2
)
( resid 75 and name HA
) 3.1 0.6 0.6 volume=297463022.000 peak=962 ppm1=2.617 ppm2=4.561
assign ( resid 53 and name HA
)
( resid 53 and name HB3
) 2.8 0.6 0.6 volume=253520577.500 peak=964 ppm1=4.564 ppm2=2.759
assign ( resid 33 and name HG2#
)
( resid 36 and name H
) 3.7 0.7 0.7 volume=99947676.250 peak=967 ppm1=1.182 ppm2=7.770
assign ( resid 61 and name HA
)
( resid 64 and name H
) 3.8 0.8 0.8 volume=92556382.375 peak=968 ppm1=3.628 ppm2=8.586
assign ( resid 34 and name HA
)
( resid 35 and name H
) 4.2 0.8 0.8 volume=51665140.125 peak=969 ppm1=3.633 ppm2=8.063
assign ( resid 34 and name HA
)
( resid 34 and name H
) 3.5 0.7 0.7 volume=148657988.500 peak=970 ppm1=3.635 ppm2=8.375
assign ( resid 61 and name HA
)
( resid 65 and name H
) 4.2 0.8 0.8 volume=46860372.500 peak=971 ppm1=3.630 ppm2=7.747
assign ( resid 34 and name HA
)
( resid 37 and name H
) 4.0 0.8 0.8 volume=69790040.750 peak=972 ppm1=3.632 ppm2=7.643
assign ( resid 61 and name HA
)
( resid 62 and name H
) 4.0 0.8 0.8 volume=70422443.875 peak=973 ppm1=3.627 ppm2=7.147
assign ( resid 34 and name HA
)
( resid 33 and name HB
) 4.1 0.8 0.8 volume=53854005.250 peak=974 ppm1=3.636 ppm2=4.240
assign ( resid 61 and name HA
)
( resid 64 and name HA
) 4.2 0.8 0.8 volume=50114875.688 peak=975 ppm1=3.630 ppm2=3.919
assign ( resid 61 and name HA
)
( resid 61 and name HB#
) 2.6 0.5 0.5 volume=755173273.000 peak=977 ppm1=3.628 ppm2=1.186
assign ( resid 61 and name HA
)
( resid 56 and name HB
) 4.2 0.8 0.8 volume=52327098.875 peak=979 ppm1=3.633 ppm2=1.669
assign ( resid 61 and name HA
)
( resid 64 and name HD1#
) 3.1 0.6 0.6 volume=107176674.250 peak=981 ppm1=3.630 ppm2=0.387
assign ( resid 81 and name HG2#
)
( resid 61 and name HA
) 3.6 0.7 0.7 volume=89497315.875 peak=982 ppm1=0.237 ppm2=3.621
assign ( resid 30 and name HB#
)
( resid 34 and name HB#
) 3.3 0.7 0.7 volume=224226860.375 peak=985 ppm1=1.588 ppm2=1.298
assign ( resid 34 and name HB#
)
( resid 42 and name HG2
) 3.3 0.7 0.7 volume=193924124.000 peak=986 ppm1=1.319 ppm2=1.929
assign ( resid 34 and name HB#
)
( resid 42 and name HG3
) 3.0 0.6 0.6 volume=396889928.000 peak=987 ppm1=1.322 ppm2=2.072
assign ( resid 39 and name HB2
)
( resid 34 and name HB#
) 3.3 0.7 0.7 volume=199750044.000 peak=988 ppm1=3.038 ppm2=1.319
assign ( resid 34 and name HB#
)
( resid 40 and name HB2
) 4.4 0.9 0.9 volume=38804179.848 peak=989 ppm1=1.323 ppm2=3.161
assign ( resid 34 and name HB#
)
( resid 34 and name HA
) 2.6 0.5 0.5 volume=858568922.000 peak=990 ppm1=1.320 ppm2=3.634
assign ( resid 31 and name HA
)
( resid 34 and name HB#
) 3.0 0.6 0.6 volume=408149616.000 peak=991 ppm1=4.007 ppm2=1.325
assign ( resid 34 and name HB#
)
( resid 45 and name H
) 4.1 0.8 0.8 volume=54148360.973 peak=994 ppm1=1.318 ppm2=7.515
assign ( resid 34 and name HB#
)
( resid 35 and name H
) 3.1 0.6 0.6 volume=324076448.500 peak=995 ppm1=1.320 ppm2=8.056
assign ( resid 34 and name HB#
)
( resid 34 and name H
) 2.7 0.5 0.5 volume=756905842.000 peak=996 ppm1=1.321 ppm2=8.375
assign ( resid 35 and name HA
)
( resid 35 and name H
) 3.2 0.6 0.6 volume=244686333.000 peak=997 ppm1=3.856 ppm2=8.056
assign ( resid 35 and name HA
)
( resid 36 and name H
) 3.8 0.8 0.8 volume=94109008.625 peak=998 ppm1=3.855 ppm2=7.767
assign ( resid 35 and name HA
)
( resid 37 and name H
) 4.3 0.9 0.9 volume=46171636.188 peak=999 ppm1=3.859 ppm2=7.676
assign ( resid 35 and name HB
)
( resid 35 and name HA
) 3.2 0.6 0.6 volume=216350815.750 peak=1000 ppm1=4.288 ppm2=3.861
assign ( resid 34 and name HB#
)
( resid 35 and name HA
) 3.5 0.7 0.7 volume=85598468.625 peak=1001 ppm1=1.320 ppm2=3.867
assign ( resid 35 and name HA
)
( resid 35 and name HG2#
) 2.6 0.5 0.5 volume=755971274.000 peak=1002 ppm1=3.855 ppm2=1.202
assign ( resid 35 and name HB
)
( resid 37 and name H
) 4.2 0.8 0.8 volume=49613435.375 peak=1003 ppm1=4.291 ppm2=7.648
assign ( resid 27 and name HB
)
( resid 23 and name HB2
) 4.5 0.9 0.9 volume=33881445.625 peak=1005 ppm1=4.289 ppm2=2.125
assign ( resid 35 and name HB
)
( resid 34 and name HB#
) 3.5 0.7 0.7 volume=151661590.750 peak=1006 ppm1=4.292 ppm2=1.335
assign ( resid 35 and name HG2#
)
( resid 35 and name HB
) 2.5 0.5 0.5 volume=1145786510.000 peak=1007 ppm1=1.204 ppm2=4.293
assign ( resid 36 and name HG1#
)
( resid 35 and name HB
) 3.5 0.7 0.7 volume=101746933.625 peak=1008 ppm1=0.907 ppm2=4.267
assign ( resid 29 and name HG2#
)
( resid 33 and name HG1
) 3.3 0.7 0.7 volume=201624313.250 peak=1009 ppm1=1.050 ppm2=4.552
assign ( resid 91 and name HG2#
)
( resid 91 and name HB
) 2.7 0.5 0.5 volume=645365475.000 peak=1011 ppm1=1.011 ppm2=4.337
assign ( resid 96 and name HG2#
)
( resid 97 and name H
) 3.3 0.7 0.7 volume=222288417.125 peak=1012 ppm1=1.147 ppm2=7.771
assign ( resid 96 and name HG2#
)
( resid 96 and name H
) 3.1 0.6 0.6 volume=288911121.000 peak=1013 ppm1=1.145 ppm2=8.228
assign ( resid 35 and name HG2#
)
( resid 35 and name H
) 3.2 0.6 0.6 volume=257083610.250 peak=1014 ppm1=1.202 ppm2=8.052
assign ( resid 36 and name HG1#
)
( resid 36 and name H
) 3.0 0.6 0.6 volume=408701982.000 peak=1015 ppm1=0.905 ppm2=7.767
assign ( resid 29 and name HG2#
)
( resid 29 and name H
) 3.2 0.6 0.6 volume=255974422.500 peak=1016 ppm1=1.049 ppm2=8.737
assign ( resid 29 and name HG2#
)
( resid 30 and name H
) 3.4 0.7 0.7 volume=163357483.250 peak=1017 ppm1=1.050 ppm2=8.632
assign ( resid 29 and name HG2#
)
( resid 33 and name H
) 3.8 0.8 0.8 volume=92983928.375 peak=1018 ppm1=1.051 ppm2=8.156
assign ( resid 29 and name HG2#
)
( resid 32 and name H
) 4.4 0.9 0.9 volume=38448745.922 peak=1019 ppm1=1.053 ppm2=8.258
assign ( resid 29 and name HG2#
)
( resid 31 and name H
) 4.4 0.9 0.9 volume=38093710.438 peak=1020 ppm1=1.046 ppm2=8.531
assign ( resid 29 and name HG2#
)
( resid 51 and name HE#
) 3.5 0.7 0.7 volume=158784989.750 peak=1021 ppm1=1.050 ppm2=7.561
assign ( resid 51 and name HZ
)
( resid 29 and name HG2#
) 3.2 0.6 0.6 volume=272012481.000 peak=1022 ppm1=6.834 ppm2=1.047
assign ( resid 79 and name HG2#
)
( resid 79 and name H
) 3.0 0.6 0.6 volume=380720586.000 peak=1023 ppm1=1.121 ppm2=6.735
assign ( resid 79 and name HB
)
( resid 79 and name HG2#
) 2.7 0.5 0.5 volume=263927551.500 peak=1024 ppm1=4.752 ppm2=1.121
assign ( resid 35 and name HG2#
)
( resid 37 and name H
) 3.9 0.8 0.8 volume=80543847.375 peak=1027 ppm1=1.202 ppm2=7.651
assign ( resid 36 and name HB
)
( resid 35 and name HG2#
) 3.8 0.8 0.8 volume=62495490.438 peak=1029 ppm1=2.121 ppm2=1.197
assign ( resid 36 and name HA
)
( resid 36 and name HG1#
) 2.6 0.5 0.5 volume=681682764.000 peak=1030 ppm1=3.902 ppm2=0.913
assign ( resid 36 and name HA
)
( resid 36 and name H
) 3.1 0.6 0.6 volume=288829591.000 peak=1031 ppm1=3.902 ppm2=7.767
assign ( resid 36 and name HA
)
( resid 37 and name H
) 3.7 0.7 0.7 volume=106601876.000 peak=1032 ppm1=3.903 ppm2=7.654
assign ( resid 36 and name HA
)
( resid 35 and name HB
) 4.1 0.8 0.8 volume=61653983.875 peak=1033 ppm1=3.904 ppm2=4.262
assign ( resid 36 and name HA
)
( resid 33 and name HA
) 4.4 0.9 0.9 volume=35581674.812 peak=1034 ppm1=3.904 ppm2=3.616
assign ( resid 36 and name HA
)
( resid 36 and name HB
) 2.9 0.6 0.6 volume=477472128.000 peak=1035 ppm1=3.902 ppm2=2.118
assign ( resid 36 and name HA
)
( resid 60 and name HG2#
) 3.9 0.8 0.8 volume=80445110.875 peak=1036 ppm1=3.906 ppm2=1.317
assign ( resid 36 and name HA
)
( resid 35 and name HG2#
) 3.4 0.7 0.7 volume=176191876.250 peak=1037 ppm1=3.902 ppm2=1.201
assign ( resid 36 and name HB
)
( resid 36 and name H
) 3.1 0.6 0.6 volume=287332137.000 peak=1040 ppm1=2.120 ppm2=7.770
assign ( resid 36 and name HB
)
( resid 37 and name H
) 3.7 0.7 0.7 volume=112696752.000 peak=1041 ppm1=2.121 ppm2=7.653
assign ( resid 36 and name HB
)
( resid 60 and name HG2#
) 3.3 0.7 0.7 volume=221200642.500 peak=1042 ppm1=2.116 ppm2=1.320
assign ( resid 36 and name HG1#
)
( resid 36 and name HB
) 2.6 0.5 0.5 volume=874151758.000 peak=1044 ppm1=0.904 ppm2=2.118
assign ( resid 36 and name HG1#
)
( resid 63 and name HB2
) 2.8 0.6 0.6 volume=521242025.500 peak=1046 ppm1=0.904 ppm2=2.038
assign ( resid 36 and name HG1#
)
( resid 60 and name HG2#
) 2.7 0.5 0.5 volume=659333705.000 peak=1047 ppm1=0.905 ppm2=1.328
assign ( resid 36 and name HG1#
)
( resid 35 and name HG2#
) 3.1 0.6 0.6 volume=320984517.250 peak=1048 ppm1=0.906 ppm2=1.199
assign ( resid 36 and name HG1#
)
( resid 56 and name HD1#
) 2.8 0.6 0.6 volume=358250475.500 peak=1050 ppm1=0.906 ppm2=0.643
assign ( resid 36 and name HG1#
)
( resid 64 and name HD1#
) 3.9 0.8 0.8 volume=81333413.938 peak=1051 ppm1=0.901 ppm2=0.387
assign ( resid 36 and name HG1#
)
( resid 33 and name HA
) 3.7 0.7 0.7 volume=112824694.250 peak=1052 ppm1=0.900 ppm2=3.614
assign ( resid 36 and name HG1#
)
( resid 60 and name HB
) 2.9 0.6 0.6 volume=463703346.500 peak=1053 ppm1=0.904 ppm2=4.126
assign ( resid 36 and name HG1#
)
( resid 60 and name HA
) 3.6 0.7 0.7 volume=133621979.875 peak=1054 ppm1=0.900 ppm2=4.012
assign ( resid 36 and name HG1#
)
( resid 37 and name H
) 3.9 0.8 0.8 volume=83395613.438 peak=1057 ppm1=0.901 ppm2=7.650
assign ( resid 36 and name HG1#
)
( resid 64 and name H
) 3.6 0.7 0.7 volume=130477764.812 peak=1058 ppm1=0.903 ppm2=8.592
assign ( resid 28 and name HB3
)
( resid 27 and name H
) 4.5 0.9 0.9 volume=32750305.250 peak=1059 ppm1=1.731 ppm2=8.172
assign ( resid 37 and name HA
)
( resid 37 and name H
) 3.3 0.7 0.7 volume=219123175.000 peak=1060 ppm1=4.227 ppm2=7.654
assign ( resid 37 and name HA
)
( resid 37 and name HB2
) 3.3 0.7 0.7 volume=106743384.250 peak=1064 ppm1=4.222 ppm2=1.496
assign ( resid 37 and name HA
)
( resid 37 and name HB3
) 3.2 0.6 0.6 volume=135055240.000 peak=1065 ppm1=4.228 ppm2=1.294
assign ( resid 37 and name HB2
)
( resid 37 and name H
) 3.6 0.7 0.7 volume=117617146.500 peak=1066 ppm1=1.487 ppm2=7.649
assign ( resid 37 and name HB3
)
( resid 37 and name H
) 3.7 0.7 0.7 volume=107435210.375 peak=1067 ppm1=1.280 ppm2=7.649
assign ( resid 37 and name HB2
)
( resid 34 and name HA
) 4.0 0.8 0.8 volume=69601461.500 peak=1068 ppm1=1.485 ppm2=3.645
assign ( resid 37 and name HB2
)
( resid 37 and name HB3
) 3.0 0.6 0.6 volume=353569304.000 peak=1069 ppm1=1.508 ppm2=1.301
assign ( resid 56 and name HB
)
( resid 52 and name HA
) 3.9 0.8 0.8 volume=79731987.500 peak=1070 ppm1=1.664 ppm2=4.251
assign ( resid 37 and name HG
)
( resid 37 and name HA
) 3.7 0.7 0.7 volume=103328215.750 peak=1073 ppm1=1.682 ppm2=4.238
assign ( resid 37 and name HG
)
( resid 37 and name HB2
) 3.7 0.7 0.7 volume=102334883.500 peak=1074 ppm1=1.680 ppm2=1.496
assign ( resid 37 and name HG
)
( resid 37 and name HB3
) 3.6 0.7 0.7 volume=116259081.500 peak=1075 ppm1=1.679 ppm2=1.298
assign ( resid 37 and name HG
)
( resid 33 and name HG2#
) 3.7 0.7 0.7 volume=108522840.750 peak=1076 ppm1=1.675 ppm2=1.183
assign ( resid 37 and name HD1#
)
( resid 37 and name HB2
) 2.8 0.6 0.6 volume=456717505.000 peak=1077 ppm1=0.715 ppm2=1.498
assign ( resid 37 and name HD1#
)
( resid 37 and name HB3
) 2.9 0.6 0.6 volume=414133541.000 peak=1078 ppm1=0.715 ppm2=1.302
assign ( resid 37 and name HD1#
)
( resid 37 and name HA
) 3.3 0.7 0.7 volume=196561953.500 peak=1079 ppm1=0.717 ppm2=4.217
assign ( resid 37 and name HD1#
)
( resid 37 and name H
) 3.4 0.7 0.7 volume=191719765.000 peak=1080 ppm1=0.713 ppm2=7.647
assign ( resid 37 and name HD1#
)
( resid 36 and name H
) 4.1 0.8 0.8 volume=54979900.312 peak=1081 ppm1=0.711 ppm2=7.751
assign ( resid 39 and name HD2
)
( resid 37 and name HD1#
) 3.7 0.7 0.7 volume=49073338.531 peak=1082 ppm1=6.808 ppm2=0.708
assign ( resid 37 and name HD1#
)
( resid 34 and name HA
) 3.5 0.7 0.7 volume=146868654.250 peak=1083 ppm1=0.715 ppm2=3.629
assign ( resid 37 and name HD1#
)
( resid 33 and name HG2#
) 2.7 0.5 0.5 volume=657406023.000 peak=1084 ppm1=0.714 ppm2=1.180
assign ( resid 74 and name HD2#
)
( resid 74 and name H
) 3.3 0.7 0.7 volume=213492369.250 peak=1085 ppm1=0.694 ppm2=7.644
assign ( resid 74 and name HD2#
)
( resid 74 and name HA
) 2.6 0.5 0.5 volume=847935176.000 peak=1086 ppm1=0.693 ppm2=4.243
assign ( resid 74 and name HD2#
)
( resid 75 and name H
) 3.3 0.7 0.7 volume=227379017.500 peak=1087 ppm1=0.695 ppm2=8.494
assign ( resid 74 and name HD2#
)
( resid 73 and name HA2
) 4.0 0.8 0.8 volume=66179436.530 peak=1088 ppm1=0.697 ppm2=3.794
assign ( resid 74 and name HD2#
)
( resid 74 and name HB3
) 2.9 0.6 0.6 volume=485903366.000 peak=1089 ppm1=0.694 ppm2=1.543
assign ( resid 37 and name HD2#
)
( resid 37 and name HA
) 2.5 0.5 0.5 volume=1003351292.000 peak=1090 ppm1=0.737 ppm2=4.227
assign ( resid 37 and name HD2#
)
( resid 37 and name H
) 3.2 0.6 0.6 volume=237866012.500 peak=1091 ppm1=0.737 ppm2=7.647
assign ( resid 37 and name HD2#
)
( resid 56 and name H
) 3.7 0.7 0.7 volume=109167944.375 peak=1092 ppm1=0.737 ppm2=7.524
assign ( resid 37 and name HD2#
)
( resid 54 and name H
) 4.0 0.8 0.8 volume=70490406.031 peak=1093 ppm1=0.737 ppm2=7.753
assign ( resid 37 and name HD2#
)
( resid 56 and name HA
) 3.3 0.7 0.7 volume=207568944.250 peak=1094 ppm1=0.737 ppm2=3.957
assign ( resid 37 and name HD2#
)
( resid 55 and name HA2
) 3.9 0.8 0.8 volume=75506034.250 peak=1095 ppm1=0.734 ppm2=3.658
assign ( resid 37 and name HD2#
)
( resid 37 and name HG
) 2.6 0.5 0.5 volume=825992446.000 peak=1096 ppm1=0.737 ppm2=1.676
assign ( resid 37 and name HD2#
)
( resid 37 and name HB2
) 3.1 0.6 0.6 volume=330970756.500 peak=1097 ppm1=0.739 ppm2=1.502
assign ( resid 37 and name HD2#
)
( resid 37 and name HB3
) 2.7 0.5 0.5 volume=659175709.000 peak=1098 ppm1=0.737 ppm2=1.307
assign ( resid 37 and name HD2#
)
( resid 36 and name HB
) 3.9 0.8 0.8 volume=76796301.000 peak=1099 ppm1=0.740 ppm2=2.113
assign ( resid 37 and name HD2#
)
( resid 33 and name HG2#
) 3.2 0.6 0.6 volume=249905578.250 peak=1101 ppm1=0.738 ppm2=1.183
assign ( resid 38 and name HA2
)
( resid 38 and name HA3
) 2.7 0.5 0.5 volume=718367584.000 peak=1102 ppm1=4.056 ppm2=3.708
assign ( resid 42 and name HA
)
( resid 43 and name H
) 4.1 0.8 0.8 volume=59247523.500 peak=1104 ppm1=4.181 ppm2=9.007
assign ( resid 42 and name HA
)
( resid 31 and name HA
) 3.6 0.7 0.7 volume=127549674.250 peak=1105 ppm1=4.183 ppm2=3.998
assign ( resid 42 and name HA
)
( resid 42 and name HD3
) 4.0 0.8 0.8 volume=49000073.125 peak=1107 ppm1=4.182 ppm2=3.632
assign ( resid 42 and name HA
)
( resid 42 and name HB2
) 2.8 0.6 0.6 volume=560302371.000 peak=1108 ppm1=4.184 ppm2=2.078
assign ( resid 42 and name HG2
)
( resid 42 and name HA
) 3.2 0.6 0.6 volume=241861060.500 peak=1109 ppm1=1.937 ppm2=4.172
assign ( resid 34 and name HB#
)
( resid 42 and name HA
) 2.8 0.6 0.6 volume=437243793.000 peak=1110 ppm1=1.317 ppm2=4.184
assign ( resid 42 and name HA
)
( resid 30 and name HB#
) 3.2 0.6 0.6 volume=213058070.250 peak=1111 ppm1=4.184 ppm2=1.597
assign ( resid 42 and name HA
)
( resid 45 and name HD1#
) 3.4 0.7 0.7 volume=166865540.000 peak=1112 ppm1=4.184 ppm2=0.681
assign ( resid 42 and name HB3
)
( resid 42 and name HA
) 3.0 0.6 0.6 volume=299902051.500 peak=1114 ppm1=2.016 ppm2=4.181
assign ( resid 78 and name HB3
)
( resid 78 and name HA
) 3.0 0.6 0.6 volume=368153024.500 peak=1115 ppm1=2.015 ppm2=4.022
assign ( resid 42 and name HB2
)
( resid 43 and name H
) 4.4 0.9 0.9 volume=36154228.875 peak=1116 ppm1=2.076 ppm2=9.005
assign ( resid 60 and name HG2#
)
( resid 60 and name HB
) 2.6 0.5 0.5 volume=972113744.000 peak=1120 ppm1=1.315 ppm2=4.135
assign ( resid 60 and name HA
)
( resid 60 and name HG2#
) 2.6 0.5 0.5 volume=958602254.000 peak=1121 ppm1=4.007 ppm2=1.316
assign ( resid 60 and name HB
)
( resid 63 and name HB2
) 3.6 0.7 0.7 volume=117632589.750 peak=1122 ppm1=4.135 ppm2=2.030
assign ( resid 42 and name HA
)
( resid 42 and name HD2
) 4.1 0.8 0.8 volume=56697587.875 peak=1125 ppm1=4.181 ppm2=3.890
assign ( resid 42 and name HD3
)
( resid 42 and name HD2
) 2.7 0.5 0.5 volume=664381529.000 peak=1130 ppm1=3.638 ppm2=3.880
assign ( resid 42 and name HD2
)
( resid 42 and name HG2
) 3.1 0.6 0.6 volume=311502316.000 peak=1131 ppm1=3.867 ppm2=1.941
assign ( resid 42 and name HD3
)
( resid 42 and name HG2
) 3.1 0.6 0.6 volume=318429443.500 peak=1132 ppm1=3.640 ppm2=1.941
assign ( resid 42 and name HD3
)
( resid 42 and name HB2
) 3.0 0.6 0.6 volume=362528908.500 peak=1133 ppm1=3.639 ppm2=2.068
assign ( resid 42 and name HD3
)
( resid 41 and name HG2#
) 3.7 0.7 0.7 volume=109990359.375 peak=1134 ppm1=3.638 ppm2=1.150
assign ( resid 42 and name HD2
)
( resid 41 and name HB
) 3.3 0.7 0.7 volume=217012530.500 peak=1136 ppm1=3.868 ppm2=4.302
assign ( resid 41 and name HB
)
( resid 42 and name HD3
) 3.4 0.7 0.7 volume=161947016.750 peak=1137 ppm1=4.304 ppm2=3.639
assign ( resid 41 and name HB
)
( resid 41 and name HA
) 3.9 0.8 0.8 volume=78207422.750 peak=1138 ppm1=4.303 ppm2=4.842
assign ( resid 42 and name HD2
)
( resid 41 and name HA
) 3.4 0.7 0.7 volume=174359743.750 peak=1139 ppm1=3.865 ppm2=4.858
assign ( resid 41 and name HA
)
( resid 41 and name HG2#
) 3.3 0.7 0.7 volume=212432497.750 peak=1140 ppm1=4.841 ppm2=1.145
assign ( resid 41 and name HB
)
( resid 43 and name H
) 4.3 0.9 0.9 volume=40959980.625 peak=1141 ppm1=4.304 ppm2=9.011
assign ( resid 43 and name HG2
)
( resid 41 and name HB
) 4.4 0.9 0.9 volume=38123627.000 peak=1142 ppm1=2.244 ppm2=4.335
assign ( resid 41 and name HB
)
( resid 42 and name HG3
) 4.0 0.8 0.8 volume=69005387.500 peak=1143 ppm1=4.302 ppm2=2.064
assign ( resid 41 and name HB
)
( resid 43 and name HB2
) 4.0 0.8 0.8 volume=68171594.125 peak=1144 ppm1=4.303 ppm2=1.952
assign ( resid 41 and name HB
)
( resid 41 and name HG2#
) 2.6 0.5 0.5 volume=786774028.000 peak=1145 ppm1=4.303 ppm2=1.147
assign ( resid 41 and name HG2#
)
( resid 42 and name HD2
) 3.0 0.6 0.6 volume=346523309.000 peak=1146 ppm1=1.147 ppm2=3.894
assign ( resid 41 and name HG2#
)
( resid 44 and name HB3
) 3.4 0.7 0.7 volume=162166379.000 peak=1147 ppm1=1.147 ppm2=3.794
assign ( resid 96 and name HG2#
)
( resid 96 and name HA
) 2.6 0.5 0.5 volume=860185334.000 peak=1148 ppm1=1.145 ppm2=3.616
assign ( resid 41 and name HG2#
)
( resid 40 and name HB3
) 4.0 0.8 0.8 volume=70298798.250 peak=1149 ppm1=1.148 ppm2=3.023
assign ( resid 41 and name HG2#
)
( resid 43 and name HB3
) 2.9 0.6 0.6 volume=414610954.000 peak=1150 ppm1=1.144 ppm2=1.983
assign ( resid 41 and name HG2#
)
( resid 40 and name HD2
) 4.3 0.9 0.9 volume=43769525.188 peak=1151 ppm1=1.151 ppm2=6.876
assign ( resid 47 and name HG3
)
( resid 47 and name HB3
) 3.0 0.6 0.6 volume=361540558.000 peak=1153 ppm1=1.950 ppm2=2.354
assign ( resid 42 and name HG3
)
( resid 42 and name HA
) 3.4 0.7 0.7 volume=173555183.500 peak=1154 ppm1=2.069 ppm2=4.184
assign ( resid 42 and name HG3
)
( resid 42 and name HD3
) 3.3 0.7 0.7 volume=197757732.000 peak=1155 ppm1=2.070 ppm2=3.638
assign ( resid 42 and name HG3
)
( resid 41 and name HA
) 4.2 0.8 0.8 volume=51481007.000 peak=1156 ppm1=2.069 ppm2=4.865
assign ( resid 22 and name HB2
)
( resid 18 and name HA
or resid 41 and name HB
) 4.4 0.9 0.9 volume=37441327.406 peak=1158 ppm1=1.937 ppm2=4.316
assign ( resid 43 and name HB2
)
( resid 43 and name HG2
) 2.4 0.5 0.5 volume=848508836.000 peak=1159 ppm1=1.952 ppm2=2.244
assign ( resid 43 and name HB3
)
( resid 43 and name HG2
) 2.6 0.5 0.5 volume=873365672.000 peak=1160 ppm1=1.975 ppm2=2.244
assign ( resid 43 and name HB3
)
( resid 43 and name HA
) 2.9 0.6 0.6 volume=502538520.000 peak=1161 ppm1=1.980 ppm2=4.057
assign ( resid 43 and name HB2
)
( resid 43 and name HA
) 2.9 0.6 0.6 volume=498686344.000 peak=1162 ppm1=1.952 ppm2=4.056
assign ( resid 43 and name HB3
)
( resid 43 and name H
) 3.6 0.7 0.7 volume=132472026.750 peak=1163 ppm1=1.973 ppm2=9.002
assign ( resid 43 and name HB2
)
( resid 43 and name H
) 3.6 0.7 0.7 volume=125838860.500 peak=1164 ppm1=1.953 ppm2=9.000
assign ( resid 43 and name HG2
)
( resid 43 and name HA
) 2.8 0.6 0.6 volume=422338834.000 peak=1168 ppm1=2.245 ppm2=4.056
assign ( resid 43 and name HG2
)
( resid 42 and name HA
) 4.6 0.9 0.9 volume=30529133.812 peak=1169 ppm1=2.245 ppm2=4.179
assign ( resid 43 and name HG2
)
( resid 43 and name H
) 3.7 0.7 0.7 volume=110618859.000 peak=1170 ppm1=2.246 ppm2=9.004
assign ( resid 44 and name HB2
)
( resid 44 and name HA
) 2.9 0.6 0.6 volume=459485553.500 peak=1171 ppm1=3.919 ppm2=4.358
assign ( resid 44 and name HA
)
( resid 44 and name HB3
) 2.9 0.6 0.6 volume=473374876.500 peak=1172 ppm1=4.362 ppm2=3.792
assign ( resid 44 and name HA
)
( resid 41 and name HG2#
) 4.1 0.8 0.8 volume=53592026.750 peak=1173 ppm1=4.362 ppm2=1.160
assign ( resid 44 and name HA
)
( resid 43 and name HB3
) 4.2 0.8 0.8 volume=51216182.562 peak=1174 ppm1=4.359 ppm2=1.978
assign ( resid 81 and name HG2#
)
( resid 82 and name HA
) 4.2 0.8 0.8 volume=42722446.062 peak=1175 ppm1=0.237 ppm2=4.347
assign ( resid 44 and name HA
)
( resid 45 and name HD1#
) 4.2 0.8 0.8 volume=49475942.750 peak=1176 ppm1=4.347 ppm2=0.669
assign ( resid 44 and name HB2
)
( resid 44 and name HB3
) 2.5 0.5 0.5 volume=1255698154.000 peak=1178 ppm1=3.917 ppm2=3.790
assign ( resid 44 and name HB2
)
( resid 41 and name HG2#
) 4.0 0.8 0.8 volume=62422849.062 peak=1180 ppm1=3.919 ppm2=1.148
assign ( resid 101 and name HB2
)
( resid 102 and name H
) 3.4 0.7 0.7 volume=175784001.250 peak=1181 ppm1=3.790 ppm2=8.024
assign ( resid 45 and name HG13
)
( resid 45 and name HA
) 3.2 0.6 0.6 volume=237706654.000 peak=1183 ppm1=1.394 ppm2=3.949
assign ( resid 56 and name HA
)
( resid 61 and name HB#
) 3.8 0.8 0.8 volume=61415991.812 peak=1184 ppm1=3.957 ppm2=1.186
assign ( resid 45 and name HA
)
( resid 54 and name HD1#
) 3.5 0.7 0.7 volume=148687495.750 peak=1185 ppm1=3.955 ppm2=0.853
assign ( resid 56 and name HD1#
)
( resid 56 and name HA
) 2.5 0.5 0.5 volume=1218833108.000 peak=1186 ppm1=0.668 ppm2=3.962
assign ( resid 45 and name HB
)
( resid 45 and name HA
) 3.4 0.7 0.7 volume=178234881.750 peak=1187 ppm1=2.125 ppm2=3.952
assign ( resid 45 and name HB
)
( resid 45 and name HG12
) 2.9 0.6 0.6 volume=437507565.000 peak=1188 ppm1=2.126 ppm2=1.600
assign ( resid 45 and name HB
)
( resid 45 and name HG13
) 3.3 0.7 0.7 volume=192482740.000 peak=1189 ppm1=2.125 ppm2=1.393
assign ( resid 45 and name HG2#
)
( resid 45 and name HB
) 2.6 0.5 0.5 volume=611022693.000 peak=1190 ppm1=0.713 ppm2=2.125
assign ( resid 45 and name HG13
)
( resid 42 and name HA
) 3.8 0.8 0.8 volume=93458607.500 peak=1193 ppm1=1.397 ppm2=4.194
assign ( resid 45 and name HG2#
)
( resid 45 and name HG13
) 3.0 0.6 0.6 volume=374515098.000 peak=1196 ppm1=0.713 ppm2=1.391
assign ( resid 45 and name HG2#
)
( resid 87 and name HB2
) 3.5 0.7 0.7 volume=154266043.250 peak=1197 ppm1=0.711 ppm2=1.966
assign ( resid 45 and name HG2#
)
( resid 33 and name HG2#
) 2.9 0.6 0.6 volume=474796609.000 peak=1198 ppm1=0.713 ppm2=1.185
assign ( resid 45 and name HG2#
)
( resid 87 and name HD3
) 4.0 0.8 0.8 volume=66273639.375 peak=1199 ppm1=0.705 ppm2=2.455
assign ( resid 45 and name HG2#
)
( resid 47 and name HB3
) 4.3 0.9 0.9 volume=44713603.344 peak=1200 ppm1=0.708 ppm2=2.364
assign ( resid 45 and name HG2#
)
( resid 34 and name HA
) 3.9 0.8 0.8 volume=78563617.000 peak=1201 ppm1=0.713 ppm2=3.650
assign ( resid 45 and name HG2#
)
( resid 33 and name HB
) 3.4 0.7 0.7 volume=166915292.000 peak=1202 ppm1=0.711 ppm2=4.254
assign ( resid 45 and name HG2#
)
( resid 45 and name HA
) 2.6 0.5 0.5 volume=966401883.000 peak=1203 ppm1=0.713 ppm2=3.951
assign ( resid 45 and name HG2#
)
( resid 30 and name H
) 4.3 0.9 0.9 volume=44713184.703 peak=1204 ppm1=0.709 ppm2=8.636
assign ( resid 45 and name HG2#
)
( resid 46 and name H
) 3.4 0.7 0.7 volume=166076449.625 peak=1205 ppm1=0.713 ppm2=8.210
assign ( resid 46 and name HA
)
( resid 47 and name HG2
) 3.7 0.7 0.7 volume=108752234.000 peak=1206 ppm1=4.795 ppm2=1.989
assign ( resid 46 and name HA
)
( resid 47 and name HB2
) 3.6 0.7 0.7 volume=115984097.250 peak=1207 ppm1=4.793 ppm2=1.912
assign ( resid 46 and name HA
)
( resid 45 and name HG2#
) 4.3 0.9 0.9 volume=43855386.344 peak=1208 ppm1=4.797 ppm2=0.698
assign ( resid 47 and name HD3
)
( resid 46 and name HA
) 3.0 0.6 0.6 volume=410380703.500 peak=1209 ppm1=3.990 ppm2=4.795
assign ( resid 46 and name HB3
)
( resid 46 and name HA
) 2.9 0.6 0.6 volume=188612708.750 peak=1212 ppm1=3.903 ppm2=4.797
assign ( resid 46 and name HB3
)
( resid 46 and name H
) 3.0 0.6 0.6 volume=373946973.500 peak=1213 ppm1=3.903 ppm2=8.217
assign ( resid 46 and name HB3
)
( resid 48 and name HB#
) 3.1 0.6 0.6 volume=296075504.500 peak=1214 ppm1=3.903 ppm2=1.275
assign ( resid 48 and name HB#
)
( resid 47 and name HA
) 3.6 0.7 0.7 volume=127712360.250 peak=1215 ppm1=1.254 ppm2=4.118
assign ( resid 47 and name HB2
)
( resid 48 and name HA
) 4.0 0.8 0.8 volume=64571469.500 peak=1219 ppm1=1.891 ppm2=4.378
assign ( resid 47 and name HB3
)
( resid 48 and name HA
) 4.3 0.9 0.9 volume=46102638.812 peak=1220 ppm1=2.347 ppm2=4.371
assign ( resid 47 and name HB3
)
( resid 48 and name H
) 3.8 0.8 0.8 volume=84467769.875 peak=1221 ppm1=2.355 ppm2=7.550
assign ( resid 47 and name HB3
)
( resid 47 and name HG2
) 2.8 0.6 0.6 volume=531549070.000 peak=1222 ppm1=2.351 ppm2=1.989
assign ( resid 47 and name HB2
)
( resid 47 and name HG2
) 2.7 0.5 0.5 volume=636938268.000 peak=1223 ppm1=1.895 ppm2=1.992
assign ( resid 47 and name HB2
)
( resid 48 and name HB#
) 3.8 0.8 0.8 volume=93497155.250 peak=1225 ppm1=1.894 ppm2=1.259
assign ( resid 47 and name HD3
)
( resid 47 and name HD2
) 2.7 0.5 0.5 volume=676781720.000 peak=1227 ppm1=3.989 ppm2=3.758
assign ( resid 47 and name HD3
)
( resid 47 and name HA
) 4.0 0.8 0.8 volume=62233756.750 peak=1228 ppm1=3.990 ppm2=4.122
assign ( resid 47 and name HD3
)
( resid 46 and name HB3
) 3.4 0.7 0.7 volume=185045642.000 peak=1229 ppm1=3.987 ppm2=3.902
assign ( resid 47 and name HD2
)
( resid 46 and name HB3
) 3.4 0.7 0.7 volume=168045938.750 peak=1230 ppm1=3.758 ppm2=3.901
assign ( resid 46 and name HA
)
( resid 47 and name HD2
) 3.1 0.6 0.6 volume=147279104.375 peak=1232 ppm1=4.796 ppm2=3.759
assign ( resid 93 and name HA
)
( resid 93 and name HB3
) 3.3 0.7 0.7 volume=122185485.500 peak=1233 ppm1=4.179 ppm2=2.804
assign ( resid 93 and name HB2
)
( resid 93 and name HA
) 3.2 0.6 0.6 volume=174270670.750 peak=1234 ppm1=2.454 ppm2=4.176
assign ( resid 100 and name HB2
)
( resid 100 and name HA
) 3.0 0.6 0.6 volume=405749820.500 peak=1236 ppm1=2.066 ppm2=4.359
assign ( resid 100 and name HB3
)
( resid 100 and name HA
) 2.8 0.6 0.6 volume=413638884.000 peak=1237 ppm1=1.992 ppm2=4.358
assign ( resid 47 and name HG2
)
( resid 47 and name HD3
) 3.0 0.6 0.6 volume=288942077.000 peak=1238 ppm1=2.013 ppm2=3.990
assign ( resid 47 and name HG3
)
( resid 47 and name HD2
) 3.2 0.6 0.6 volume=268158449.000 peak=1240 ppm1=1.952 ppm2=3.758
assign ( resid 47 and name HG2
)
( resid 48 and name HB#
) 3.9 0.8 0.8 volume=56176771.125 peak=1241 ppm1=2.009 ppm2=1.259
assign ( resid 48 and name HA
)
( resid 49 and name H
) 3.6 0.7 0.7 volume=129370102.000 peak=1242 ppm1=4.384 ppm2=7.473
assign ( resid 48 and name HB#
)
( resid 47 and name HG3
) 3.7 0.7 0.7 volume=112127983.375 peak=1244 ppm1=1.258 ppm2=1.932
assign ( resid 47 and name HB3
)
( resid 48 and name HB#
) 4.0 0.8 0.8 volume=39682460.814 peak=1245 ppm1=2.352 ppm2=1.257
assign ( resid 48 and name HB#
)
( resid 88 and name HB2
) 3.9 0.8 0.8 volume=81169632.125 peak=1246 ppm1=1.256 ppm2=2.826
assign ( resid 48 and name HB#
)
( resid 49 and name HB
) 3.4 0.7 0.7 volume=171417739.250 peak=1247 ppm1=1.256 ppm2=3.921
assign ( resid 48 and name HB#
)
( resid 48 and name HA
) 2.4 0.5 0.5 volume=1459254068.000 peak=1249 ppm1=1.255 ppm2=4.382
assign ( resid 48 and name HB#
)
( resid 49 and name H
) 3.3 0.7 0.7 volume=218434975.500 peak=1250 ppm1=1.258 ppm2=7.466
assign ( resid 49 and name HB
)
( resid 50 and name H
) 3.5 0.7 0.7 volume=161348179.500 peak=1251 ppm1=3.904 ppm2=8.717
assign ( resid 49 and name HB
)
( resid 49 and name H
) 3.0 0.6 0.6 volume=376626506.500 peak=1252 ppm1=3.903 ppm2=7.472
assign ( resid 49 and name HB
)
( resid 50 and name HA
) 4.2 0.8 0.8 volume=46515184.750 peak=1253 ppm1=3.902 ppm2=4.372
assign ( resid 49 and name HB
)
( resid 53 and name HB3
) 4.4 0.9 0.9 volume=39637926.000 peak=1254 ppm1=3.892 ppm2=2.750
assign ( resid 49 and name HB
)
( resid 54 and name HG
) 3.9 0.8 0.8 volume=75219188.125 peak=1255 ppm1=3.904 ppm2=1.636
assign ( resid 49 and name HB
)
( resid 50 and name HB#
) 4.2 0.8 0.8 volume=48816443.188 peak=1256 ppm1=3.903 ppm2=1.482
assign ( resid 49 and name HB
)
( resid 54 and name HD1#
) 3.3 0.7 0.7 volume=217471009.500 peak=1258 ppm1=3.903 ppm2=0.853
assign ( resid 49 and name HB
)
( resid 54 and name HD2#
) 3.4 0.7 0.7 volume=169121583.000 peak=1259 ppm1=3.904 ppm2=0.708
assign ( resid 51 and name HA
)
( resid 51 and name HD#
) 3.1 0.6 0.6 volume=333826005.000 peak=1260 ppm1=4.103 ppm2=7.080
assign ( resid 51 and name HA
)
( resid 51 and name HE#
) 3.9 0.8 0.8 volume=76932949.125 peak=1261 ppm1=4.102 ppm2=7.549
assign ( resid 51 and name HA
)
( resid 52 and name H
) 4.4 0.9 0.9 volume=38776799.688 peak=1262 ppm1=4.106 ppm2=9.130
assign ( resid 51 and name HA
)
( resid 50 and name HA
) 4.0 0.8 0.8 volume=63676838.625 peak=1263 ppm1=4.105 ppm2=4.375
assign ( resid 27 and name HG2#
)
( resid 28 and name HA
) 3.0 0.6 0.6 volume=381753081.047 peak=1264 ppm1=1.256 ppm2=4.137
assign ( resid 67 and name HG2#
)
( resid 68 and name H
) 3.2 0.6 0.6 volume=262368841.500 peak=1265 ppm1=1.242 ppm2=8.279
assign ( resid 67 and name HG2#
)
( resid 70 and name H
) 3.0 0.6 0.6 volume=359639443.500 peak=1266 ppm1=1.259 ppm2=7.866
assign ( resid 49 and name HG2#
)
( resid 50 and name H
) 2.9 0.6 0.6 volume=481671828.000 peak=1267 ppm1=1.291 ppm2=8.716
assign ( resid 49 and name HG2#
)
( resid 49 and name H
) 3.4 0.7 0.7 volume=176204395.250 peak=1268 ppm1=1.291 ppm2=7.468
assign ( resid 49 and name HG2#
)
( resid 53 and name H
) 3.6 0.7 0.7 volume=129226891.750 peak=1269 ppm1=1.291 ppm2=7.117
assign ( resid 49 and name HG2#
)
( resid 54 and name HA
) 3.5 0.7 0.7 volume=138303493.500 peak=1271 ppm1=1.291 ppm2=4.317
assign ( resid 49 and name HB
)
( resid 49 and name HG2#
) 2.4 0.5 0.5 volume=1273832090.000 peak=1272 ppm1=3.903 ppm2=1.289
assign ( resid 49 and name HG2#
)
( resid 53 and name HB3
) 2.7 0.5 0.5 volume=669841112.000 peak=1273 ppm1=1.291 ppm2=2.760
assign ( resid 49 and name HG2#
)
( resid 54 and name HG
) 3.0 0.6 0.6 volume=376499384.500 peak=1274 ppm1=1.291 ppm2=1.639
assign ( resid 49 and name HG2#
)
( resid 54 and name HB3
) 4.0 0.8 0.8 volume=69599396.797 peak=1275 ppm1=1.295 ppm2=2.063
assign ( resid 49 and name HG2#
)
( resid 54 and name HD1#
) 2.7 0.5 0.5 volume=723855309.000 peak=1276 ppm1=1.292 ppm2=0.853
assign ( resid 49 and name HG2#
)
( resid 45 and name HG2#
) 3.1 0.6 0.6 volume=320185117.500 peak=1277 ppm1=1.291 ppm2=0.708
assign ( resid 72 and name HG2#
)
( resid 72 and name HA
) 2.7 0.5 0.5 volume=610768646.000 peak=1278 ppm1=1.117 ppm2=4.498
assign ( resid 72 and name HA
)
( resid 9 and name HD2#
) 2.7 0.5 0.5 volume=657938919.000 peak=1279 ppm1=4.497 ppm2=0.842
assign ( resid 72 and name HA
)
( resid 94 and name HD1#
) 3.4 0.7 0.7 volume=168975569.750 peak=1280 ppm1=4.496 ppm2=0.704
assign ( resid 57 and name HB3
)
( resid 57 and name HA
) 3.3 0.7 0.7 volume=218635512.000 peak=1281 ppm1=3.192 ppm2=4.808
assign ( resid 57 and name HA
)
( resid 57 and name HB2
) 3.2 0.6 0.6 volume=268801180.000 peak=1282 ppm1=4.806 ppm2=2.621
assign ( resid 57 and name HA
)
( resid 57 and name H
) 3.8 0.8 0.8 volume=91386557.000 peak=1283 ppm1=4.807 ppm2=8.004
assign ( resid 39 and name HA
)
( resid 39 and name HD2
) 4.3 0.9 0.9 volume=43389154.047 peak=1284 ppm1=4.691 ppm2=6.821
assign ( resid 75 and name HA
)
( resid 76 and name H
) 2.8 0.6 0.6 volume=512151365.000 peak=1286 ppm1=4.562 ppm2=7.862
assign ( resid 75 and name HA
)
( resid 75 and name H
) 3.6 0.7 0.7 volume=120978599.000 peak=1287 ppm1=4.563 ppm2=8.488
assign ( resid 75 and name HB3
)
( resid 75 and name HA
) 3.0 0.6 0.6 volume=393113708.000 peak=1289 ppm1=2.462 ppm2=4.562
assign ( resid 75 and name HA
)
( resid 74 and name HG
) 3.6 0.7 0.7 volume=129487831.250 peak=1290 ppm1=4.563 ppm2=1.522
assign ( resid 11 and name HB#
)
( resid 8 and name HA
) 2.7 0.5 0.5 volume=690819903.500 peak=1291 ppm1=1.472 ppm2=4.448
assign ( resid 50 and name HA
)
( resid 50 and name HB#
) 2.5 0.5 0.5 volume=554496414.000 peak=1292 ppm1=4.378 ppm2=1.470
assign ( resid 50 and name HA
)
( resid 51 and name HB3
) 4.2 0.8 0.8 volume=48826137.438 peak=1293 ppm1=4.381 ppm2=2.698
assign ( resid 51 and name HD#
)
( resid 50 and name HA
) 4.1 0.8 0.8 volume=59961337.500 peak=1294 ppm1=7.079 ppm2=4.367
assign ( resid 50 and name HA
)
( resid 50 and name H
) 3.5 0.7 0.7 volume=145063542.750 peak=1295 ppm1=4.379 ppm2=8.726
assign ( resid 51 and name HB2
)
( resid 51 and name HA
) 3.4 0.7 0.7 volume=178953247.000 peak=1296 ppm1=2.777 ppm2=4.101
assign ( resid 54 and name HB3
)
( resid 51 and name HA
) 3.6 0.7 0.7 volume=124814756.250 peak=1297 ppm1=2.053 ppm2=4.106
assign ( resid 51 and name HA
)
( resid 56 and name HB
) 3.5 0.7 0.7 volume=158588657.750 peak=1298 ppm1=4.103 ppm2=1.648
assign ( resid 51 and name HA
)
( resid 54 and name HB2
) 3.7 0.7 0.7 volume=106320997.750 peak=1299 ppm1=4.103 ppm2=1.514
assign ( resid 51 and name HA
)
( resid 54 and name HD2#
) 3.0 0.6 0.6 volume=385383364.500 peak=1300 ppm1=4.104 ppm2=0.702
assign ( resid 81 and name HG2#
)
( resid 51 and name HA
) 4.0 0.8 0.8 volume=35627789.125 peak=1301 ppm1=0.238 ppm2=4.097
assign ( resid 51 and name HA
)
( resid 51 and name HB3
) 3.5 0.7 0.7 volume=93323639.500 peak=1303 ppm1=4.106 ppm2=2.706
assign ( resid 51 and name HD#
)
( resid 51 and name HB2
) 3.5 0.7 0.7 volume=149014921.750 peak=1304 ppm1=7.076 ppm2=2.765
assign ( resid 51 and name HB3
)
( resid 51 and name HE#
) 4.4 0.9 0.9 volume=36165114.000 peak=1306 ppm1=2.683 ppm2=7.539
assign ( resid 51 and name HB2
)
( resid 52 and name H
) 4.0 0.8 0.8 volume=62316420.750 peak=1307 ppm1=2.774 ppm2=9.132
assign ( resid 51 and name HB3
)
( resid 52 and name H
) 4.0 0.8 0.8 volume=62417497.625 peak=1308 ppm1=2.691 ppm2=9.126
assign ( resid 51 and name HB2
)
( resid 56 and name HG12
) 4.0 0.8 0.8 volume=66421432.000 peak=1309 ppm1=2.775 ppm2=1.364
assign ( resid 51 and name HB3
)
( resid 52 and name HG2
) 4.2 0.8 0.8 volume=46407068.000 peak=1310 ppm1=2.690 ppm2=1.434
assign ( resid 51 and name HB2
)
( resid 81 and name HG13
) 3.7 0.7 0.7 volume=104719657.500 peak=1311 ppm1=2.772 ppm2=0.652
assign ( resid 51 and name HB3
)
( resid 81 and name HG13
) 3.7 0.7 0.7 volume=108771787.000 peak=1312 ppm1=2.693 ppm2=0.660
assign ( resid 51 and name HB2
)
( resid 81 and name HG2#
) 3.6 0.7 0.7 volume=73192879.500 peak=1314 ppm1=2.777 ppm2=0.240
assign ( resid 52 and name HA
)
( resid 56 and name HG2#
) 3.5 0.7 0.7 volume=133528602.875 peak=1315 ppm1=4.261 ppm2=0.644
assign ( resid 52 and name HA
)
( resid 52 and name H
) 3.1 0.6 0.6 volume=281391973.000 peak=1316 ppm1=4.259 ppm2=9.127
assign ( resid 52 and name HA
)
( resid 55 and name H
) 3.9 0.8 0.8 volume=77792080.750 peak=1317 ppm1=4.262 ppm2=7.421
assign ( resid 52 and name HA
)
( resid 53 and name H
) 3.7 0.7 0.7 volume=113683208.500 peak=1318 ppm1=4.259 ppm2=7.117
assign ( resid 52 and name HA
)
( resid 51 and name HB2
) 4.0 0.8 0.8 volume=68119393.875 peak=1319 ppm1=4.256 ppm2=2.757
assign ( resid 52 and name HA
)
( resid 52 and name HB3
) 2.8 0.6 0.6 volume=508406988.000 peak=1320 ppm1=4.258 ppm2=1.887
assign ( resid 52 and name HA
)
( resid 52 and name HB2
) 2.8 0.6 0.6 volume=615167391.000 peak=1321 ppm1=4.258 ppm2=1.689
assign ( resid 52 and name HG3
)
( resid 52 and name HA
) 3.1 0.6 0.6 volume=295319931.500 peak=1322 ppm1=1.465 ppm2=4.263
assign ( resid 52 and name HB3
)
( resid 52 and name HB2
) 2.2 0.4 0.4 volume=2237598040.000 peak=1323 ppm1=1.889 ppm2=1.692
assign ( resid 52 and name HB3
)
( resid 52 and name HG3
) 2.8 0.6 0.6 volume=512166819.000 peak=1325 ppm1=1.888 ppm2=1.459
assign ( resid 52 and name HB3
)
( resid 52 and name HE2
) 4.1 0.8 0.8 volume=58274152.125 peak=1327 ppm1=1.890 ppm2=2.961
assign ( resid 52 and name HB2
)
( resid 52 and name HE2
) 4.0 0.8 0.8 volume=69705867.000 peak=1328 ppm1=1.696 ppm2=2.964
assign ( resid 52 and name HB2
)
( resid 51 and name HB2
) 4.2 0.8 0.8 volume=50410032.250 peak=1329 ppm1=1.701 ppm2=2.772
assign ( resid 52 and name HB3
)
( resid 53 and name H
) 3.6 0.7 0.7 volume=122808827.500 peak=1330 ppm1=1.889 ppm2=7.120
assign ( resid 52 and name HB2
)
( resid 53 and name H
) 3.4 0.7 0.7 volume=175210873.500 peak=1331 ppm1=1.696 ppm2=7.122
assign ( resid 52 and name HB3
)
( resid 52 and name H
) 3.0 0.6 0.6 volume=385149211.000 peak=1332 ppm1=1.889 ppm2=9.126
assign ( resid 52 and name HB2
)
( resid 52 and name H
) 3.0 0.6 0.6 volume=353932048.000 peak=1333 ppm1=1.696 ppm2=9.126
assign ( resid 52 and name HG3
)
( resid 52 and name HB2
) 2.4 0.5 0.5 volume=1295143572.000 peak=1334 ppm1=1.460 ppm2=1.685
assign ( resid 52 and name HG2
)
( resid 52 and name HB2
) 2.4 0.5 0.5 volume=1400212102.000 peak=1335 ppm1=1.398 ppm2=1.685
assign ( resid 52 and name HG2
)
( resid 52 and name HB3
) 3.1 0.6 0.6 volume=292796708.500 peak=1337 ppm1=1.398 ppm2=1.890
assign ( resid 52 and name HG2
)
( resid 52 and name HA
) 3.5 0.7 0.7 volume=159840179.750 peak=1341 ppm1=1.398 ppm2=4.260
assign ( resid 52 and name HG2
)
( resid 53 and name H
) 3.8 0.8 0.8 volume=86543716.875 peak=1342 ppm1=1.390 ppm2=7.119
assign ( resid 52 and name HG3
)
( resid 52 and name H
) 3.8 0.8 0.8 volume=97670223.875 peak=1343 ppm1=1.458 ppm2=9.128
assign ( resid 52 and name HD2
)
( resid 52 and name HG3
) 2.5 0.5 0.5 volume=1226629848.000 peak=1345 ppm1=1.685 ppm2=1.459
assign ( resid 53 and name HA
)
( resid 52 and name HB2
) 3.8 0.8 0.8 volume=84622528.000 peak=1349 ppm1=4.567 ppm2=1.680
assign ( resid 53 and name HA
)
( resid 49 and name HG2#
) 3.8 0.8 0.8 volume=93126435.312 peak=1350 ppm1=4.568 ppm2=1.302
assign ( resid 53 and name HA
)
( resid 52 and name HA
) 4.1 0.8 0.8 volume=61166583.250 peak=1351 ppm1=4.561 ppm2=4.274
assign ( resid 53 and name HA
)
( resid 53 and name H
) 3.1 0.6 0.6 volume=329768319.000 peak=1352 ppm1=4.564 ppm2=7.122
assign ( resid 53 and name HA
)
( resid 55 and name H
) 3.9 0.8 0.8 volume=75463699.500 peak=1353 ppm1=4.563 ppm2=7.416
assign ( resid 53 and name HB3
)
( resid 53 and name H
) 3.2 0.6 0.6 volume=259997563.500 peak=1354 ppm1=2.755 ppm2=7.122
assign ( resid 53 and name HB3
)
( resid 54 and name H
) 3.9 0.8 0.8 volume=74565683.375 peak=1355 ppm1=2.748 ppm2=7.762
assign ( resid 53 and name HB3
)
( resid 50 and name H
) 4.0 0.8 0.8 volume=62680669.125 peak=1356 ppm1=2.754 ppm2=8.719
assign ( resid 54 and name HA
)
( resid 55 and name H
) 3.9 0.8 0.8 volume=76654577.750 peak=1358 ppm1=4.314 ppm2=7.410
assign ( resid 54 and name HA
)
( resid 53 and name H
) 4.3 0.9 0.9 volume=43617708.750 peak=1359 ppm1=4.314 ppm2=7.125
assign ( resid 54 and name HG
)
( resid 54 and name HB3
) 3.3 0.7 0.7 volume=221945887.000 peak=1360 ppm1=1.629 ppm2=2.049
assign ( resid 54 and name HB3
)
( resid 54 and name HB2
) 3.0 0.6 0.6 volume=405385890.000 peak=1361 ppm1=2.049 ppm2=1.526
assign ( resid 54 and name HB3
)
( resid 54 and name HA
) 3.4 0.7 0.7 volume=165335629.250 peak=1364 ppm1=2.049 ppm2=4.309
assign ( resid 54 and name HB2
)
( resid 54 and name HA
) 3.3 0.7 0.7 volume=205523576.500 peak=1366 ppm1=1.527 ppm2=4.307
assign ( resid 54 and name HB3
)
( resid 55 and name H
) 4.2 0.8 0.8 volume=47903936.562 peak=1368 ppm1=2.053 ppm2=7.417
assign ( resid 54 and name HB3
)
( resid 51 and name HD#
) 4.3 0.9 0.9 volume=43465800.062 peak=1369 ppm1=2.053 ppm2=7.085
assign ( resid 54 and name HG
)
( resid 54 and name HB2
) 3.4 0.7 0.7 volume=184203681.750 peak=1371 ppm1=1.629 ppm2=1.530
assign ( resid 54 and name HD2#
)
( resid 54 and name HA
) 3.3 0.7 0.7 volume=224181491.000 peak=1374 ppm1=0.707 ppm2=4.309
assign ( resid 54 and name HD2#
)
( resid 45 and name HG13
) 3.4 0.7 0.7 volume=177614487.000 peak=1375 ppm1=0.700 ppm2=1.399
assign ( resid 54 and name HD2#
)
( resid 56 and name H
) 3.6 0.7 0.7 volume=132383862.250 peak=1376 ppm1=0.706 ppm2=7.551
assign ( resid 54 and name HD2#
)
( resid 55 and name H
) 4.4 0.9 0.9 volume=37833905.656 peak=1377 ppm1=0.703 ppm2=7.420
assign ( resid 54 and name HD1#
)
( resid 54 and name HB3
) 3.0 0.6 0.6 volume=366998101.000 peak=1378 ppm1=0.851 ppm2=2.049
assign ( resid 54 and name HG
)
( resid 54 and name HD1#
) 2.6 0.5 0.5 volume=856373575.000 peak=1379 ppm1=1.621 ppm2=0.826
assign ( resid 54 and name HD1#
)
( resid 54 and name HA
) 2.5 0.5 0.5 volume=1030815636.000 peak=1380 ppm1=0.852 ppm2=4.308
assign ( resid 54 and name HD1#
)
( resid 54 and name H
) 3.4 0.7 0.7 volume=192428769.750 peak=1381 ppm1=0.850 ppm2=7.749
assign ( resid 54 and name HD1#
)
( resid 56 and name H
) 4.1 0.8 0.8 volume=54916307.077 peak=1382 ppm1=0.853 ppm2=7.536
assign ( resid 54 and name HD1#
)
( resid 54 and name HD2#
) 2.1 0.4 0.4 volume=2857385020.000 peak=1383 ppm1=0.849 ppm2=0.713
assign ( resid 55 and name HA3
)
( resid 37 and name HD2#
) 3.6 0.7 0.7 volume=131898322.750 peak=1384 ppm1=4.409 ppm2=0.730
assign ( resid 55 and name HA2
)
( resid 37 and name HD1#
) 3.6 0.7 0.7 volume=118421335.250 peak=1385 ppm1=3.679 ppm2=0.724
assign ( resid 55 and name HA3
)
( resid 55 and name HA2
) 2.6 0.5 0.5 volume=882251246.000 peak=1386 ppm1=4.409 ppm2=3.679
assign ( resid 55 and name HA3
)
( resid 55 and name H
) 3.2 0.6 0.6 volume=237976363.000 peak=1388 ppm1=4.411 ppm2=7.416
assign ( resid 55 and name HA2
)
( resid 55 and name H
) 3.1 0.6 0.6 volume=305204049.500 peak=1389 ppm1=3.680 ppm2=7.412
assign ( resid 55 and name HA3
)
( resid 54 and name H
) 4.2 0.8 0.8 volume=46630050.375 peak=1390 ppm1=4.416 ppm2=7.775
assign ( resid 56 and name HB
)
( resid 64 and name HD1#
) 3.8 0.8 0.8 volume=45908114.125 peak=1391 ppm1=1.656 ppm2=0.386
assign ( resid 56 and name HB
)
( resid 56 and name HA
) 3.7 0.7 0.7 volume=111386422.000 peak=1393 ppm1=1.665 ppm2=3.967
assign ( resid 56 and name HB
)
( resid 55 and name H
) 4.2 0.8 0.8 volume=46586788.188 peak=1394 ppm1=1.667 ppm2=7.412
assign ( resid 56 and name HG13
)
( resid 56 and name HB
) 3.3 0.7 0.7 volume=207638306.500 peak=1396 ppm1=1.407 ppm2=1.663
assign ( resid 56 and name HG12
)
( resid 56 and name HB
) 3.4 0.7 0.7 volume=192628564.500 peak=1397 ppm1=1.343 ppm2=1.664
assign ( resid 56 and name HG13
)
( resid 56 and name HA
) 4.2 0.8 0.8 volume=48494579.500 peak=1398 ppm1=1.410 ppm2=3.963
assign ( resid 56 and name HG12
)
( resid 64 and name HD1#
) 4.0 0.8 0.8 volume=69597323.500 peak=1399 ppm1=1.338 ppm2=0.394
assign ( resid 81 and name HG2#
)
( resid 81 and name HB
) 2.8 0.6 0.6 volume=587133042.000 peak=1400 ppm1=0.237 ppm2=1.546
assign ( resid 81 and name HG2#
)
( resid 61 and name HB#
) 3.0 0.6 0.6 volume=406583140.500 peak=1401 ppm1=0.237 ppm2=1.181
assign ( resid 81 and name HG2#
)
( resid 90 and name HD2#
) 3.4 0.7 0.7 volume=176955851.500 peak=1403 ppm1=0.237 ppm2=0.942
assign ( resid 81 and name HG2#
)
( resid 90 and name HB2
) 4.3 0.9 0.9 volume=44477595.750 peak=1405 ppm1=0.236 ppm2=1.906
assign ( resid 81 and name HG2#
)
( resid 64 and name HB3
) 4.4 0.9 0.9 volume=39796699.812 peak=1406 ppm1=0.234 ppm2=1.802
assign ( resid 81 and name HG2#
)
( resid 56 and name HB
) 3.5 0.7 0.7 volume=139246855.500 peak=1407 ppm1=0.237 ppm2=1.658
assign ( resid 81 and name HG2#
)
( resid 51 and name HB3
) 3.5 0.7 0.7 volume=144766160.750 peak=1409 ppm1=0.237 ppm2=2.700
assign ( resid 81 and name HG2#
)
( resid 56 and name HA
) 4.3 0.9 0.9 volume=44840771.000 peak=1412 ppm1=0.238 ppm2=3.980
assign ( resid 81 and name HG2#
)
( resid 81 and name HA
) 3.0 0.6 0.6 volume=410846021.500 peak=1413 ppm1=0.237 ppm2=3.798
assign ( resid 81 and name HG2#
)
( resid 85 and name HA
) 4.2 0.8 0.8 volume=43697561.188 peak=1415 ppm1=0.238 ppm2=5.117
assign ( resid 81 and name HG2#
)
( resid 51 and name HE#
) 3.8 0.8 0.8 volume=86484796.125 peak=1416 ppm1=0.237 ppm2=7.558
assign ( resid 81 and name HG2#
)
( resid 82 and name H
) 4.0 0.8 0.8 volume=71320825.750 peak=1417 ppm1=0.238 ppm2=7.462
assign ( resid 81 and name HG2#
)
( resid 84 and name H
) 4.5 0.9 0.9 volume=31696032.688 peak=1418 ppm1=0.237 ppm2=7.321
assign ( resid 81 and name HG2#
)
( resid 82 and name HE#
) 4.6 0.9 0.9 volume=28860524.766 peak=1419 ppm1=0.235 ppm2=7.193
assign ( resid 81 and name HG2#
)
( resid 81 and name H
) 3.3 0.7 0.7 volume=196714895.250 peak=1421 ppm1=0.237 ppm2=8.065
assign ( resid 81 and name HG2#
)
( resid 58 and name H
) 4.4 0.9 0.9 volume=37777622.156 peak=1422 ppm1=0.235 ppm2=8.597
assign ( resid 56 and name HG2#
)
( resid 81 and name HG2#
) 3.0 0.6 0.6 volume=405903770.500 peak=1423 ppm1=0.633 ppm2=0.242
assign ( resid 56 and name HG2#
)
( resid 81 and name HD1#
) 3.2 0.6 0.6 volume=238084471.000 peak=1424 ppm1=0.636 ppm2=0.127
assign ( resid 56 and name HG2#
)
( resid 64 and name HD1#
) 3.6 0.7 0.7 volume=131952883.500 peak=1425 ppm1=0.635 ppm2=0.367
assign ( resid 56 and name HG2#
)
( resid 64 and name HB3
) 4.0 0.8 0.8 volume=67408808.344 peak=1426 ppm1=0.636 ppm2=1.798
assign ( resid 56 and name HG2#
)
( resid 56 and name HB
) 2.8 0.6 0.6 volume=608357469.000 peak=1427 ppm1=0.635 ppm2=1.665
assign ( resid 56 and name HG2#
)
( resid 81 and name HB
) 3.9 0.8 0.8 volume=77119751.875 peak=1428 ppm1=0.631 ppm2=1.547
assign ( resid 56 and name HG2#
)
( resid 56 and name HG12
) 2.9 0.6 0.6 volume=445039235.500 peak=1429 ppm1=0.635 ppm2=1.346
assign ( resid 56 and name HG2#
)
( resid 54 and name HB3
) 4.2 0.8 0.8 volume=52227488.938 peak=1431 ppm1=0.635 ppm2=2.047
assign ( resid 56 and name HG2#
)
( resid 51 and name HB2
) 3.5 0.7 0.7 volume=147261170.500 peak=1432 ppm1=0.633 ppm2=2.776
assign ( resid 56 and name HG2#
)
( resid 51 and name HB3
) 3.7 0.7 0.7 volume=111780640.000 peak=1433 ppm1=0.637 ppm2=2.681
assign ( resid 56 and name HG2#
)
( resid 60 and name HB
) 3.4 0.7 0.7 volume=167249301.750 peak=1435 ppm1=0.635 ppm2=4.125
assign ( resid 56 and name HG2#
)
( resid 56 and name HA
) 3.0 0.6 0.6 volume=342874964.500 peak=1436 ppm1=0.635 ppm2=3.966
assign ( resid 56 and name HG2#
)
( resid 61 and name HA
) 2.9 0.6 0.6 volume=417129806.000 peak=1437 ppm1=0.635 ppm2=3.625
assign ( resid 56 and name HG2#
)
( resid 55 and name H
) 4.5 0.9 0.9 volume=33663655.812 peak=1438 ppm1=0.643 ppm2=7.409
assign ( resid 56 and name HG2#
)
( resid 51 and name HD#
) 3.6 0.7 0.7 volume=121663975.375 peak=1439 ppm1=0.637 ppm2=7.084
assign ( resid 56 and name HG2#
)
( resid 52 and name H
) 4.5 0.9 0.9 volume=32921079.062 peak=1440 ppm1=0.632 ppm2=9.139
assign ( resid 57 and name HB3
)
( resid 57 and name HB2
) 2.9 0.6 0.6 volume=469236147.000 peak=1442 ppm1=3.195 ppm2=2.615
assign ( resid 58 and name HA
)
( resid 61 and name H
) 4.1 0.8 0.8 volume=54511721.562 peak=1447 ppm1=4.100 ppm2=8.946
assign ( resid 58 and name HA
)
( resid 58 and name HB3
) 2.7 0.5 0.5 volume=655525060.500 peak=1449 ppm1=4.100 ppm2=3.943
assign ( resid 58 and name HA
)
( resid 58 and name HB2
) 2.7 0.5 0.5 volume=688226535.000 peak=1450 ppm1=4.101 ppm2=3.919
assign ( resid 58 and name HB3
)
( resid 59 and name HG
) 4.2 0.8 0.8 volume=46922054.188 peak=1451 ppm1=3.937 ppm2=1.669
assign ( resid 58 and name HB3
)
( resid 59 and name H
) 3.9 0.8 0.8 volume=75909604.750 peak=1452 ppm1=3.942 ppm2=8.210
assign ( resid 59 and name HA
)
( resid 58 and name HA
) 3.8 0.8 0.8 volume=94670192.500 peak=1453 ppm1=4.366 ppm2=4.085
assign ( resid 59 and name HA
)
( resid 63 and name H
) 4.4 0.9 0.9 volume=36026523.562 peak=1454 ppm1=4.365 ppm2=7.473
assign ( resid 59 and name HA
)
( resid 62 and name H
) 3.7 0.7 0.7 volume=108427065.125 peak=1455 ppm1=4.361 ppm2=7.141
assign ( resid 86 and name HA
)
( resid 86 and name H
) 3.9 0.8 0.8 volume=77797069.000 peak=1456 ppm1=4.366 ppm2=7.365
assign ( resid 59 and name HA
)
( resid 60 and name H
) 3.9 0.8 0.8 volume=73999349.875 peak=1457 ppm1=4.357 ppm2=8.847
assign ( resid 86 and name HA
)
( resid 87 and name HD2
) 3.1 0.6 0.6 volume=151231123.500 peak=1458 ppm1=4.365 ppm2=3.690
assign ( resid 59 and name HB2
)
( resid 59 and name HA
) 3.0 0.6 0.6 volume=352586593.000 peak=1459 ppm1=1.968 ppm2=4.360
assign ( resid 59 and name HB3
)
( resid 59 and name HA
) 2.7 0.5 0.5 volume=633073777.000 peak=1461 ppm1=1.660 ppm2=4.358
assign ( resid 59 and name HD1#
)
( resid 59 and name HA
) 2.7 0.5 0.5 volume=575030635.000 peak=1462 ppm1=0.860 ppm2=4.361
assign ( resid 59 and name HA
)
( resid 59 and name HD2#
) 2.8 0.6 0.6 volume=521544571.000 peak=1463 ppm1=4.365 ppm2=0.942
assign ( resid 59 and name HA
)
( resid 60 and name HG2#
) 4.3 0.9 0.9 volume=44934776.359 peak=1464 ppm1=4.367 ppm2=1.304
assign ( resid 59 and name HB3
)
( resid 59 and name HB2
) 2.3 0.5 0.5 volume=2087705492.000 peak=1466 ppm1=1.660 ppm2=1.969
assign ( resid 94 and name HB3
)
( resid 94 and name HA
) 3.1 0.6 0.6 volume=186481351.000 peak=1467 ppm1=1.128 ppm2=3.484
assign ( resid 59 and name HG
)
( resid 59 and name HA
) 3.1 0.6 0.6 volume=296274976.500 peak=1468 ppm1=1.658 ppm2=4.361
assign ( resid 59 and name HG
)
( resid 59 and name HB2
) 2.6 0.5 0.5 volume=904500714.000 peak=1469 ppm1=1.657 ppm2=1.964
assign ( resid 59 and name HG
)
( resid 59 and name HD1#
) 2.6 0.5 0.5 volume=811614528.000 peak=1470 ppm1=1.657 ppm2=0.872
assign ( resid 60 and name HB
)
( resid 60 and name H
) 3.8 0.8 0.8 volume=84943739.875 peak=1472 ppm1=4.137 ppm2=8.843
assign ( resid 60 and name HB
)
( resid 64 and name H
) 4.5 0.9 0.9 volume=33389205.188 peak=1473 ppm1=4.137 ppm2=8.589
assign ( resid 60 and name HB
)
( resid 57 and name H
) 4.0 0.8 0.8 volume=71232537.625 peak=1474 ppm1=4.135 ppm2=7.983
assign ( resid 60 and name HB
)
( resid 63 and name H
) 4.2 0.8 0.8 volume=48947160.375 peak=1475 ppm1=4.139 ppm2=7.466
assign ( resid 60 and name HA
)
( resid 60 and name HB
) 2.9 0.6 0.6 volume=489642346.000 peak=1476 ppm1=4.007 ppm2=4.135
assign ( resid 60 and name HB
)
( resid 59 and name HB3
) 4.1 0.8 0.8 volume=56235665.500 peak=1477 ppm1=4.133 ppm2=1.671
assign ( resid 56 and name HD1#
)
( resid 60 and name HB
) 2.9 0.6 0.6 volume=420927947.000 peak=1480 ppm1=0.668 ppm2=4.126
assign ( resid 60 and name HB
)
( resid 37 and name HD2#
) 3.5 0.7 0.7 volume=151146230.500 peak=1481 ppm1=4.138 ppm2=0.741
assign ( resid 60 and name HA
)
( resid 59 and name HA
) 4.5 0.9 0.9 volume=33874070.062 peak=1483 ppm1=4.010 ppm2=4.363
assign ( resid 60 and name HA
)
( resid 63 and name H
) 3.3 0.7 0.7 volume=207553606.000 peak=1484 ppm1=4.005 ppm2=7.470
assign ( resid 60 and name HA
)
( resid 60 and name H
) 3.6 0.7 0.7 volume=135551132.000 peak=1485 ppm1=4.009 ppm2=8.840
assign ( resid 60 and name HA
)
( resid 64 and name H
) 4.0 0.8 0.8 volume=64385364.000 peak=1486 ppm1=4.007 ppm2=8.592
assign ( resid 60 and name HA
)
( resid 64 and name HB3
) 4.1 0.8 0.8 volume=53471075.500 peak=1487 ppm1=4.010 ppm2=1.760
assign ( resid 60 and name HA
)
( resid 59 and name HB3
) 3.9 0.8 0.8 volume=78872120.250 peak=1488 ppm1=4.009 ppm2=1.666
assign ( resid 60 and name HA
)
( resid 61 and name HB#
) 4.2 0.8 0.8 volume=46321737.812 peak=1490 ppm1=4.011 ppm2=1.188
assign ( resid 60 and name HG2#
)
( resid 59 and name HB3
) 3.3 0.7 0.7 volume=206627796.500 peak=1491 ppm1=1.314 ppm2=1.671
assign ( resid 60 and name HG2#
)
( resid 33 and name HA
or resid 61 and name HA
) 4.2 0.8 0.8 volume=48527569.705 peak=1493 ppm1=1.317 ppm2=3.622
assign ( resid 60 and name HG2#
)
( resid 60 and name H
) 3.1 0.6 0.6 volume=304085002.000 peak=1494 ppm1=1.314 ppm2=8.843
assign ( resid 56 and name HG2#
)
( resid 61 and name HB#
) 2.6 0.5 0.5 volume=874846090.000 peak=1495 ppm1=0.634 ppm2=1.182
assign ( resid 61 and name HB#
)
( resid 81 and name HD1#
) 3.2 0.6 0.6 volume=261554633.500 peak=1497 ppm1=1.186 ppm2=0.130
assign ( resid 61 and name HB#
)
( resid 64 and name HB2
) 3.4 0.7 0.7 volume=175060028.750 peak=1498 ppm1=1.182 ppm2=1.381
assign ( resid 61 and name HB#
)
( resid 64 and name HB3
) 3.5 0.7 0.7 volume=159115383.500 peak=1499 ppm1=1.182 ppm2=1.788
assign ( resid 61 and name HB#
)
( resid 81 and name HB
) 3.1 0.6 0.6 volume=294042212.500 peak=1500 ppm1=1.182 ppm2=1.546
assign ( resid 61 and name HB#
)
( resid 58 and name HA
) 3.1 0.6 0.6 volume=307630082.500 peak=1501 ppm1=1.182 ppm2=4.097
assign ( resid 61 and name HB#
)
( resid 58 and name HB2
) 3.8 0.8 0.8 volume=95294543.875 peak=1503 ppm1=1.188 ppm2=3.916
assign ( resid 61 and name HB#
)
( resid 81 and name HA
) 4.4 0.9 0.9 volume=39468949.781 peak=1504 ppm1=1.187 ppm2=3.791
assign ( resid 61 and name HB#
)
( resid 63 and name H
) 4.1 0.8 0.8 volume=59439602.312 peak=1506 ppm1=1.172 ppm2=7.462
assign ( resid 61 and name HB#
)
( resid 62 and name H
) 3.0 0.6 0.6 volume=406523015.000 peak=1507 ppm1=1.184 ppm2=7.136
assign ( resid 61 and name HB#
)
( resid 61 and name H
) 2.7 0.5 0.5 volume=657783678.000 peak=1508 ppm1=1.182 ppm2=8.938
assign ( resid 61 and name HB#
)
( resid 64 and name H
) 4.6 0.9 0.9 volume=28970912.395 peak=1509 ppm1=1.186 ppm2=8.589
assign ( resid 62 and name HA
)
( resid 66 and name H
) 4.5 0.9 0.9 volume=34008274.938 peak=1510 ppm1=4.084 ppm2=8.819
assign ( resid 62 and name HA
)
( resid 62 and name HB3
) 2.8 0.6 0.6 volume=338417696.000 peak=1511 ppm1=4.083 ppm2=1.795
assign ( resid 62 and name HB2
)
( resid 62 and name HA
) 2.8 0.6 0.6 volume=334319272.000 peak=1512 ppm1=1.836 ppm2=4.080
assign ( resid 59 and name HA
)
( resid 62 and name HB3
) 3.4 0.7 0.7 volume=96647760.000 peak=1513 ppm1=4.364 ppm2=1.832
assign ( resid 62 and name HB2
)
( resid 59 and name HA
) 3.8 0.8 0.8 volume=89375517.500 peak=1514 ppm1=1.838 ppm2=4.358
assign ( resid 62 and name HB2
)
( resid 62 and name H
) 3.0 0.6 0.6 volume=372682282.000 peak=1515 ppm1=1.834 ppm2=7.143
assign ( resid 62 and name HB3
)
( resid 62 and name H
) 3.0 0.6 0.6 volume=397545176.000 peak=1516 ppm1=1.791 ppm2=7.142
assign ( resid 62 and name HB2
)
( resid 63 and name H
) 3.4 0.7 0.7 volume=163968795.000 peak=1517 ppm1=1.835 ppm2=7.473
assign ( resid 62 and name HB3
)
( resid 63 and name H
) 3.4 0.7 0.7 volume=170811038.250 peak=1518 ppm1=1.792 ppm2=7.473
assign ( resid 62 and name HB2
)
( resid 61 and name HB#
) 4.1 0.8 0.8 volume=53680388.938 peak=1519 ppm1=1.836 ppm2=1.185
assign ( resid 62 and name HB2
)
( resid 62 and name HD1#
) 2.9 0.6 0.6 volume=495029973.000 peak=1520 ppm1=1.836 ppm2=0.949
assign ( resid 62 and name HD1#
)
( resid 62 and name HB3
) 2.7 0.5 0.5 volume=505682330.000 peak=1521 ppm1=0.988 ppm2=1.816
assign ( resid 62 and name HB2
)
( resid 65 and name HB2
) 4.0 0.8 0.8 volume=65496716.125 peak=1522 ppm1=1.839 ppm2=2.033
assign ( resid 62 and name HB3
)
( resid 65 and name HB2
) 4.0 0.8 0.8 volume=65449411.625 peak=1523 ppm1=1.791 ppm2=2.041
assign ( resid 63 and name HB2
)
( resid 64 and name H
) 3.2 0.6 0.6 volume=244075580.500 peak=1525 ppm1=2.030 ppm2=8.586
assign ( resid 63 and name HB2
)
( resid 63 and name HB3
) 2.5 0.5 0.5 volume=1058827668.000 peak=1527 ppm1=2.035 ppm2=2.366
assign ( resid 63 and name HG2
)
( resid 63 and name HB2
) 2.5 0.5 0.5 volume=1008288916.000 peak=1528 ppm1=2.204 ppm2=2.029
assign ( resid 60 and name HG2#
)
( resid 63 and name HB2
) 3.1 0.6 0.6 volume=208754453.000 peak=1529 ppm1=1.315 ppm2=2.005
assign ( resid 63 and name HB2
)
( resid 62 and name HD2#
) 2.9 0.6 0.6 volume=462646988.000 peak=1530 ppm1=2.030 ppm2=0.910
assign ( resid 62 and name HG
)
( resid 62 and name HA
) 3.0 0.6 0.6 volume=290024390.000 peak=1531 ppm1=1.721 ppm2=4.085
assign ( resid 62 and name HG
)
( resid 62 and name H
) 3.2 0.6 0.6 volume=252057772.000 peak=1532 ppm1=1.728 ppm2=7.143
assign ( resid 62 and name HG
)
( resid 66 and name HD21
) 3.8 0.8 0.8 volume=90672340.625 peak=1533 ppm1=1.728 ppm2=6.881
assign ( resid 62 and name HG
)
( resid 66 and name HD22
) 4.0 0.8 0.8 volume=65902137.000 peak=1534 ppm1=1.728 ppm2=7.766
assign ( resid 62 and name HG
)
( resid 63 and name H
) 3.8 0.8 0.8 volume=86706794.875 peak=1535 ppm1=1.726 ppm2=7.473
assign ( resid 62 and name HG
)
( resid 59 and name HA
) 3.9 0.8 0.8 volume=71954989.125 peak=1536 ppm1=1.727 ppm2=4.361
assign ( resid 62 and name HG
)
( resid 62 and name HB2
) 2.6 0.5 0.5 volume=958453908.000 peak=1537 ppm1=1.728 ppm2=1.830
assign ( resid 62 and name HD2#
)
( resid 62 and name HA
) 2.9 0.6 0.6 volume=478923324.500 peak=1541 ppm1=0.931 ppm2=4.077
assign ( resid 62 and name HD2#
)
( resid 78 and name HB2
) 3.4 0.7 0.7 volume=166110739.875 peak=1543 ppm1=0.933 ppm2=2.303
assign ( resid 62 and name HD2#
)
( resid 62 and name HB2
) 2.7 0.5 0.5 volume=704241126.000 peak=1544 ppm1=0.929 ppm2=1.822
assign ( resid 62 and name HD2#
)
( resid 62 and name HG
) 2.5 0.5 0.5 volume=996503027.000 peak=1545 ppm1=0.930 ppm2=1.745
assign ( resid 62 and name HD2#
)
( resid 62 and name H
) 3.6 0.7 0.7 volume=123385165.000 peak=1546 ppm1=0.924 ppm2=7.137
assign ( resid 63 and name HA
)
( resid 63 and name H
) 3.2 0.6 0.6 volume=245870235.000 peak=1553 ppm1=4.078 ppm2=7.471
assign ( resid 63 and name HA
)
( resid 66 and name HD21
) 3.8 0.8 0.8 volume=90228859.750 peak=1554 ppm1=4.076 ppm2=6.881
assign ( resid 63 and name HA
)
( resid 65 and name H
) 3.4 0.7 0.7 volume=164647862.500 peak=1555 ppm1=4.078 ppm2=7.771
assign ( resid 63 and name HA
)
( resid 64 and name H
) 4.0 0.8 0.8 volume=71533971.750 peak=1556 ppm1=4.079 ppm2=8.575
assign ( resid 63 and name HA
)
( resid 66 and name H
) 3.7 0.7 0.7 volume=109344073.375 peak=1557 ppm1=4.081 ppm2=8.816
assign ( resid 63 and name HG3
)
( resid 63 and name HB2
) 2.5 0.5 0.5 volume=1072601682.000 peak=1558 ppm1=2.335 ppm2=2.029
assign ( resid 63 and name HG3
)
( resid 63 and name HG2
) 2.0 0.3 0.4 volume=3160080436.000 peak=1560 ppm1=2.335 ppm2=2.203
assign ( resid 60 and name HG2#
)
( resid 63 and name HG3
) 3.6 0.7 0.7 volume=88061142.000 peak=1562 ppm1=1.319 ppm2=2.332
assign ( resid 63 and name HG2
)
( resid 60 and name HG2#
) 3.9 0.8 0.8 volume=82473457.000 peak=1563 ppm1=2.203 ppm2=1.324
assign ( resid 63 and name HG2
)
( resid 35 and name HG2#
) 4.6 0.9 0.9 volume=29536361.656 peak=1564 ppm1=2.202 ppm2=1.204
assign ( resid 63 and name HG3
)
( resid 36 and name HG1#
) 3.2 0.6 0.6 volume=233040785.000 peak=1565 ppm1=2.336 ppm2=0.919
assign ( resid 63 and name HG2
)
( resid 36 and name HG1#
) 3.3 0.7 0.7 volume=230602703.000 peak=1566 ppm1=2.204 ppm2=0.921
assign ( resid 63 and name HG3
)
( resid 63 and name HA
) 3.2 0.6 0.6 volume=265036457.500 peak=1567 ppm1=2.335 ppm2=4.077
assign ( resid 63 and name HG2
)
( resid 63 and name HA
) 3.2 0.6 0.6 volume=260720443.000 peak=1568 ppm1=2.203 ppm2=4.072
assign ( resid 63 and name HG2
)
( resid 60 and name HA
) 3.5 0.7 0.7 volume=146901451.750 peak=1569 ppm1=2.206 ppm2=4.006
assign ( resid 63 and name HG3
)
( resid 60 and name HA
) 3.4 0.7 0.7 volume=162078674.500 peak=1570 ppm1=2.336 ppm2=4.005
assign ( resid 63 and name HG3
)
( resid 63 and name H
) 3.3 0.7 0.7 volume=222999428.500 peak=1571 ppm1=2.335 ppm2=7.467
assign ( resid 63 and name HG2
)
( resid 63 and name H
) 3.3 0.7 0.7 volume=222538773.500 peak=1572 ppm1=2.203 ppm2=7.469
assign ( resid 63 and name HG3
)
( resid 65 and name H
) 4.4 0.9 0.9 volume=37110637.430 peak=1573 ppm1=2.331 ppm2=7.755
assign ( resid 63 and name HG2
)
( resid 64 and name H
) 4.1 0.8 0.8 volume=60159155.750 peak=1574 ppm1=2.202 ppm2=8.578
assign ( resid 63 and name HG3
)
( resid 64 and name H
) 4.0 0.8 0.8 volume=66230368.312 peak=1575 ppm1=2.331 ppm2=8.578
assign ( resid 64 and name HG
)
( resid 64 and name HA
) 3.2 0.6 0.6 volume=233058357.500 peak=1577 ppm1=1.225 ppm2=3.933
assign ( resid 64 and name HA
)
( resid 64 and name HD2#
) 2.7 0.5 0.5 volume=600226116.000 peak=1578 ppm1=3.920 ppm2=0.733
assign ( resid 64 and name HA
)
( resid 65 and name HA
) 3.9 0.8 0.8 volume=75532895.875 peak=1581 ppm1=3.917 ppm2=3.631
assign ( resid 64 and name HA
)
( resid 67 and name HB
) 3.4 0.7 0.7 volume=163769350.000 peak=1582 ppm1=3.917 ppm2=4.225
assign ( resid 64 and name HA
)
( resid 64 and name H
) 3.4 0.7 0.7 volume=179784481.000 peak=1583 ppm1=3.922 ppm2=8.584
assign ( resid 64 and name HB2
)
( resid 64 and name HB3
) 3.0 0.6 0.6 volume=350362281.500 peak=1584 ppm1=1.357 ppm2=1.790
assign ( resid 64 and name HB2
)
( resid 64 and name HA
) 3.1 0.6 0.6 volume=146104042.250 peak=1592 ppm1=1.358 ppm2=3.918
assign ( resid 64 and name HB2
)
( resid 64 and name H
) 3.3 0.7 0.7 volume=197512132.750 peak=1593 ppm1=1.361 ppm2=8.595
assign ( resid 64 and name HB3
)
( resid 64 and name HG
) 3.2 0.6 0.6 volume=211482643.500 peak=1594 ppm1=1.792 ppm2=1.217
assign ( resid 64 and name HG
)
( resid 64 and name HB2
) 3.1 0.6 0.6 volume=282729740.000 peak=1595 ppm1=1.221 ppm2=1.358
assign ( resid 64 and name HG
)
( resid 64 and name HD2#
) 2.5 0.5 0.5 volume=637381273.000 peak=1596 ppm1=1.219 ppm2=0.731
assign ( resid 64 and name HG
)
( resid 90 and name HD1#
) 4.1 0.8 0.8 volume=58220814.438 peak=1599 ppm1=1.220 ppm2=0.849
assign ( resid 64 and name HB3
)
( resid 64 and name HD1#
) 3.0 0.6 0.6 volume=351684033.500 peak=1600 ppm1=1.789 ppm2=0.389
assign ( resid 64 and name HB2
)
( resid 64 and name HD1#
) 2.8 0.6 0.6 volume=582586161.000 peak=1601 ppm1=1.363 ppm2=0.390
assign ( resid 64 and name HG
)
( resid 64 and name HD1#
) 2.7 0.5 0.5 volume=762878010.000 peak=1602 ppm1=1.217 ppm2=0.388
assign ( resid 64 and name HD1#
)
( resid 81 and name HB
) 3.9 0.8 0.8 volume=72020178.500 peak=1605 ppm1=0.391 ppm2=1.569
assign ( resid 64 and name HD1#
)
( resid 90 and name HB3
) 4.0 0.8 0.8 volume=68209004.625 peak=1611 ppm1=0.388 ppm2=2.129
assign ( resid 64 and name HD1#
)
( resid 51 and name HA
or resid 62 and name HA
) 4.0 0.8 0.8 volume=65626823.188 peak=1612 ppm1=0.390 ppm2=4.105
assign ( resid 64 and name HD1#
)
( resid 33 and name HB
) 4.2 0.8 0.8 volume=49281626.844 peak=1613 ppm1=0.388 ppm2=4.249
assign ( resid 64 and name HD1#
)
( resid 64 and name HA
) 3.4 0.7 0.7 volume=172899162.250 peak=1614 ppm1=0.389 ppm2=3.922
assign ( resid 64 and name HD1#
)
( resid 81 and name HA
) 4.5 0.9 0.9 volume=31665588.234 peak=1615 ppm1=0.384 ppm2=3.811
assign ( resid 64 and name HD1#
)
( resid 65 and name H
) 4.1 0.8 0.8 volume=56944855.000 peak=1617 ppm1=0.388 ppm2=7.751
assign ( resid 51 and name HZ
)
( resid 64 and name HD1#
) 3.9 0.8 0.8 volume=77225368.000 peak=1620 ppm1=6.838 ppm2=0.385
assign ( resid 64 and name HD1#
)
( resid 33 and name H
) 4.2 0.8 0.8 volume=47041069.250 peak=1621 ppm1=0.389 ppm2=8.144
assign ( resid 64 and name HD1#
)
( resid 64 and name H
) 3.7 0.7 0.7 volume=111025689.000 peak=1622 ppm1=0.388 ppm2=8.586
assign ( resid 64 and name HD2#
)
( resid 64 and name HB2
) 2.4 0.5 0.5 volume=1392525746.000 peak=1627 ppm1=0.737 ppm2=1.362
assign ( resid 64 and name HD2#
)
( resid 64 and name HD1#
) 2.4 0.5 0.5 volume=1285523346.000 peak=1629 ppm1=0.737 ppm2=0.388
assign ( resid 81 and name HD1#
)
( resid 64 and name HD2#
) 2.7 0.5 0.5 volume=115451639.625 peak=1630 ppm1=0.133 ppm2=0.717
assign ( resid 64 and name HD2#
)
( resid 90 and name HD2#
) 2.7 0.5 0.5 volume=643060951.000 peak=1631 ppm1=0.737 ppm2=0.951
assign ( resid 64 and name HD2#
)
( resid 61 and name HA
) 2.8 0.6 0.6 volume=555018365.000 peak=1633 ppm1=0.737 ppm2=3.610
assign ( resid 64 and name HD2#
)
( resid 68 and name H
) 3.6 0.7 0.7 volume=124859302.375 peak=1634 ppm1=0.734 ppm2=8.271
assign ( resid 64 and name HD2#
)
( resid 33 and name H
) 3.5 0.7 0.7 volume=138893959.500 peak=1635 ppm1=0.736 ppm2=8.148
assign ( resid 64 and name HD2#
)
( resid 51 and name HE#
) 4.0 0.8 0.8 volume=66938824.688 peak=1636 ppm1=0.739 ppm2=7.584
assign ( resid 64 and name HD2#
)
( resid 64 and name H
) 3.6 0.7 0.7 volume=119340185.375 peak=1637 ppm1=0.735 ppm2=8.579
assign ( resid 64 and name HD2#
)
( resid 65 and name H
) 3.9 0.8 0.8 volume=82692928.875 peak=1638 ppm1=0.736 ppm2=7.755
assign ( resid 64 and name HB3
)
( resid 64 and name HD2#
) 3.3 0.7 0.7 volume=211802317.000 peak=1639 ppm1=1.791 ppm2=0.731
assign ( resid 64 and name HD2#
)
( resid 29 and name HG1#
) 2.9 0.6 0.6 volume=483631521.500 peak=1640 ppm1=0.735 ppm2=0.998
assign ( resid 65 and name HA
)
( resid 64 and name HB2
) 3.4 0.7 0.7 volume=164684546.750 peak=1641 ppm1=3.637 ppm2=1.328
assign ( resid 65 and name HA
)
( resid 64 and name HG
) 4.2 0.8 0.8 volume=50016467.188 peak=1642 ppm1=3.643 ppm2=1.224
assign ( resid 65 and name HA
)
( resid 68 and name HB3
) 3.5 0.7 0.7 volume=144364709.250 peak=1643 ppm1=3.633 ppm2=1.009
assign ( resid 65 and name HA
)
( resid 90 and name HD1#
) 3.1 0.6 0.6 volume=334336198.000 peak=1644 ppm1=3.636 ppm2=0.831
assign ( resid 65 and name HA
)
( resid 64 and name HD2#
) 3.3 0.7 0.7 volume=200250453.250 peak=1645 ppm1=3.635 ppm2=0.723
assign ( resid 65 and name HA
)
( resid 81 and name HD1#
) 4.2 0.8 0.8 volume=47281742.125 peak=1646 ppm1=3.635 ppm2=0.140
assign ( resid 65 and name HA
)
( resid 65 and name HG2
) 3.3 0.7 0.7 volume=202851524.000 peak=1648 ppm1=3.634 ppm2=1.882
assign ( resid 65 and name HA
)
( resid 65 and name HD3
) 4.3 0.9 0.9 volume=42416278.562 peak=1649 ppm1=3.632 ppm2=2.971
assign ( resid 65 and name HA
)
( resid 62 and name HA
) 3.9 0.8 0.8 volume=72157236.125 peak=1650 ppm1=3.636 ppm2=4.078
assign ( resid 65 and name HA
)
( resid 68 and name H
) 4.1 0.8 0.8 volume=61049261.000 peak=1651 ppm1=3.634 ppm2=8.292
assign ( resid 65 and name HA
)
( resid 65 and name H
) 3.6 0.7 0.7 volume=135890331.000 peak=1652 ppm1=3.636 ppm2=7.739
assign ( resid 65 and name HA
)
( resid 66 and name H
) 4.1 0.8 0.8 volume=53682685.625 peak=1653 ppm1=3.638 ppm2=8.810
assign ( resid 65 and name HB3
)
( resid 65 and name HA
) 3.6 0.7 0.7 volume=121016136.250 peak=1654 ppm1=2.080 ppm2=3.633
assign ( resid 65 and name HB2
)
( resid 65 and name HA
) 3.3 0.7 0.7 volume=123504162.000 peak=1655 ppm1=2.009 ppm2=3.636
assign ( resid 65 and name HB3
)
( resid 66 and name HB2
) 4.2 0.8 0.8 volume=46994163.000 peak=1656 ppm1=2.080 ppm2=2.982
assign ( resid 65 and name HB2
)
( resid 66 and name H
) 4.0 0.8 0.8 volume=63507996.750 peak=1657 ppm1=2.006 ppm2=8.814
assign ( resid 65 and name HB3
)
( resid 66 and name H
) 4.1 0.8 0.8 volume=60302654.000 peak=1658 ppm1=2.082 ppm2=8.811
assign ( resid 65 and name HB3
)
( resid 62 and name HD1#
) 4.1 0.8 0.8 volume=57309854.000 peak=1659 ppm1=2.084 ppm2=0.977
assign ( resid 65 and name HB2
)
( resid 62 and name HD1#
) 4.2 0.8 0.8 volume=51141918.500 peak=1660 ppm1=2.006 ppm2=0.982
assign ( resid 66 and name HA
)
( resid 68 and name HB3
) 3.8 0.8 0.8 volume=92210279.781 peak=1661 ppm1=4.337 ppm2=1.009
assign ( resid 66 and name HA
)
( resid 66 and name HB2
) 3.3 0.7 0.7 volume=210186653.500 peak=1662 ppm1=4.344 ppm2=2.997
assign ( resid 66 and name HA
)
( resid 67 and name HA
) 3.9 0.8 0.8 volume=80589808.875 peak=1663 ppm1=4.351 ppm2=4.078
assign ( resid 66 and name HA
)
( resid 66 and name H
) 3.4 0.7 0.7 volume=191611119.000 peak=1664 ppm1=4.347 ppm2=8.809
assign ( resid 66 and name HA
)
( resid 67 and name H
) 4.0 0.8 0.8 volume=70785411.000 peak=1665 ppm1=4.344 ppm2=8.523
assign ( resid 66 and name HA
)
( resid 70 and name H
) 4.0 0.8 0.8 volume=67209201.625 peak=1666 ppm1=4.344 ppm2=7.851
assign ( resid 66 and name HA
)
( resid 65 and name H
) 4.2 0.8 0.8 volume=48093833.000 peak=1667 ppm1=4.343 ppm2=7.777
assign ( resid 66 and name HB2
)
( resid 66 and name HB3
) 2.8 0.6 0.6 volume=596883474.000 peak=1668 ppm1=3.002 ppm2=2.823
assign ( resid 66 and name HB3
)
( resid 66 and name HA
) 3.4 0.7 0.7 volume=181236445.000 peak=1671 ppm1=2.824 ppm2=4.345
assign ( resid 66 and name HB2
)
( resid 63 and name HA
) 3.3 0.7 0.7 volume=173694575.000 peak=1672 ppm1=3.005 ppm2=4.077
assign ( resid 66 and name HB3
)
( resid 63 and name HA
) 3.4 0.7 0.7 volume=174253397.750 peak=1673 ppm1=2.825 ppm2=4.077
assign ( resid 66 and name HB2
)
( resid 66 and name HD21
) 3.8 0.8 0.8 volume=94780956.375 peak=1674 ppm1=3.000 ppm2=6.878
assign ( resid 66 and name HB2
)
( resid 67 and name H
) 3.9 0.8 0.8 volume=82820006.375 peak=1675 ppm1=3.002 ppm2=8.513
assign ( resid 66 and name HB3
)
( resid 67 and name H
) 3.8 0.8 0.8 volume=95705036.750 peak=1676 ppm1=2.824 ppm2=8.518
assign ( resid 66 and name HB2
)
( resid 65 and name H
) 3.5 0.7 0.7 volume=157775224.750 peak=1677 ppm1=3.002 ppm2=7.769
assign ( resid 66 and name HB3
)
( resid 65 and name H
) 3.4 0.7 0.7 volume=174634770.500 peak=1678 ppm1=2.825 ppm2=7.769
assign ( resid 66 and name HB3
)
( resid 66 and name HD21
) 3.7 0.7 0.7 volume=100885825.375 peak=1679 ppm1=2.825 ppm2=6.883
assign ( resid 66 and name HB2
)
( resid 66 and name H
) 3.5 0.7 0.7 volume=139331969.750 peak=1680 ppm1=3.003 ppm2=8.810
assign ( resid 66 and name HB3
)
( resid 66 and name H
) 3.5 0.7 0.7 volume=151863776.000 peak=1681 ppm1=2.824 ppm2=8.809
assign ( resid 67 and name HA
)
( resid 67 and name H
) 3.3 0.7 0.7 volume=219751180.000 peak=1682 ppm1=4.061 ppm2=8.517
assign ( resid 67 and name HA
)
( resid 68 and name H
) 3.8 0.8 0.8 volume=93286340.250 peak=1683 ppm1=4.060 ppm2=8.294
assign ( resid 67 and name HA
)
( resid 71 and name H
) 4.3 0.9 0.9 volume=43079291.531 peak=1684 ppm1=4.058 ppm2=8.159
assign ( resid 67 and name HA
)
( resid 70 and name H
) 3.8 0.8 0.8 volume=89112321.875 peak=1685 ppm1=4.059 ppm2=7.868
assign ( resid 67 and name HA
)
( resid 67 and name HB
) 2.9 0.6 0.6 volume=451031706.000 peak=1686 ppm1=4.060 ppm2=4.235
assign ( resid 67 and name HA
)
( resid 70 and name HB3
) 3.4 0.7 0.7 volume=173331535.000 peak=1687 ppm1=4.059 ppm2=3.235
assign ( resid 67 and name HA
)
( resid 32 and name HB#
) 4.4 0.9 0.9 volume=36960289.438 peak=1688 ppm1=4.059 ppm2=1.360
assign ( resid 67 and name HA
)
( resid 67 and name HG2#
) 2.7 0.5 0.5 volume=664196930.000 peak=1689 ppm1=4.060 ppm2=1.240
assign ( resid 7 and name HB
)
( resid 7 and name HA
) 2.4 0.5 0.5 volume=1403428704.000 peak=1690 ppm1=4.237 ppm2=4.056
assign ( resid 7 and name HG2#
)
( resid 7 and name HB
) 2.3 0.5 0.5 volume=1715231804.000 peak=1691 ppm1=1.183 ppm2=4.226
assign ( resid 9 and name HA
)
( resid 9 and name HB2
) 3.0 0.6 0.6 volume=372047858.000 peak=1692 ppm1=4.056 ppm2=1.625
assign ( resid 68 and name HB3
)
( resid 68 and name HB2
) 2.9 0.6 0.6 volume=362941110.500 peak=1693 ppm1=1.005 ppm2=1.898
assign ( resid 68 and name HB3
)
( resid 68 and name HA
) 3.5 0.7 0.7 volume=146753841.000 peak=1695 ppm1=1.012 ppm2=4.094
assign ( resid 68 and name HB3
)
( resid 68 and name H
) 3.7 0.7 0.7 volume=102985876.500 peak=1696 ppm1=1.014 ppm2=8.293
assign ( resid 68 and name HG
)
( resid 68 and name HB2
) 3.0 0.6 0.6 volume=348335873.000 peak=1697 ppm1=0.729 ppm2=1.897
assign ( resid 68 and name HG
)
( resid 64 and name HB2
) 3.3 0.7 0.7 volume=203285094.500 peak=1698 ppm1=0.729 ppm2=1.358
assign ( resid 68 and name HG
)
( resid 64 and name HG
) 3.1 0.6 0.6 volume=306597433.500 peak=1699 ppm1=0.729 ppm2=1.226
assign ( resid 68 and name HG
)
( resid 64 and name HD1#
) 3.4 0.7 0.7 volume=179640802.750 peak=1700 ppm1=0.729 ppm2=0.387
assign ( resid 68 and name HG
)
( resid 81 and name HD1#
) 3.4 0.7 0.7 volume=165819108.750 peak=1701 ppm1=0.728 ppm2=0.131
assign ( resid 68 and name HG
)
( resid 65 and name HA
) 3.5 0.7 0.7 volume=140634959.000 peak=1702 ppm1=0.727 ppm2=3.630
assign ( resid 68 and name HG
)
( resid 68 and name HA
) 3.5 0.7 0.7 volume=139342151.000 peak=1703 ppm1=0.730 ppm2=4.096
assign ( resid 68 and name HG
)
( resid 68 and name H
) 3.7 0.7 0.7 volume=107728410.625 peak=1704 ppm1=0.729 ppm2=8.290
assign ( resid 68 and name HG
)
( resid 68 and name HB3
) 2.7 0.5 0.5 volume=674762979.000 peak=1705 ppm1=0.730 ppm2=0.999
assign ( resid 94 and name HG
)
( resid 94 and name HD1#
) 2.5 0.5 0.5 volume=1193812056.000 peak=1706 ppm1=2.031 ppm2=0.713
assign ( resid 94 and name HG
)
( resid 94 and name HB3
) 3.5 0.7 0.7 volume=138622411.500 peak=1707 ppm1=2.030 ppm2=1.127
assign ( resid 94 and name HA
)
( resid 94 and name HG
) 3.5 0.7 0.7 volume=101563290.375 peak=1708 ppm1=3.488 ppm2=2.024
assign ( resid 94 and name HG
)
( resid 94 and name H
) 3.4 0.7 0.7 volume=176723832.750 peak=1709 ppm1=2.032 ppm2=8.507
assign ( resid 69 and name HA
)
( resid 70 and name H
) 3.5 0.7 0.7 volume=159427150.250 peak=1711 ppm1=4.122 ppm2=7.866
assign ( resid 69 and name HA
)
( resid 74 and name H
) 3.7 0.7 0.7 volume=114524386.500 peak=1712 ppm1=4.121 ppm2=7.644
assign ( resid 69 and name HA
)
( resid 69 and name HB
) 3.1 0.6 0.6 volume=292586965.500 peak=1713 ppm1=4.122 ppm2=4.279
assign ( resid 69 and name HA
)
( resid 74 and name HB3
) 3.9 0.8 0.8 volume=75013991.750 peak=1714 ppm1=4.123 ppm2=1.529
assign ( resid 69 and name HA
)
( resid 69 and name HG2#
) 2.9 0.6 0.6 volume=481509794.000 peak=1715 ppm1=4.122 ppm2=1.260
assign ( resid 69 and name HA
)
( resid 72 and name HG2#
) 3.9 0.8 0.8 volume=73760372.750 peak=1716 ppm1=4.120 ppm2=1.119
assign ( resid 69 and name HA
)
( resid 74 and name HB2
) 4.3 0.9 0.9 volume=40221342.500 peak=1717 ppm1=4.123 ppm2=0.996
assign ( resid 69 and name HA
)
( resid 94 and name HD1#
) 4.0 0.8 0.8 volume=71599317.875 peak=1718 ppm1=4.123 ppm2=0.694
assign ( resid 70 and name HA
)
( resid 73 and name H
) 3.5 0.7 0.7 volume=159102177.750 peak=1719 ppm1=4.286 ppm2=8.161
assign ( resid 70 and name HA
)
( resid 70 and name H
) 3.1 0.6 0.6 volume=314208066.500 peak=1720 ppm1=4.287 ppm2=7.869
assign ( resid 70 and name HA
)
( resid 73 and name HA3
) 4.0 0.8 0.8 volume=64056143.250 peak=1722 ppm1=4.287 ppm2=4.079
assign ( resid 70 and name HB3
)
( resid 70 and name HA
) 2.8 0.6 0.6 volume=527571960.000 peak=1723 ppm1=3.214 ppm2=4.285
assign ( resid 70 and name HA
)
( resid 69 and name HG2#
) 3.5 0.7 0.7 volume=153103270.750 peak=1724 ppm1=4.287 ppm2=1.264
assign ( resid 70 and name HB2
)
( resid 69 and name HG2#
) 3.9 0.8 0.8 volume=76144373.500 peak=1725 ppm1=3.273 ppm2=1.245
assign ( resid 70 and name HB3
)
( resid 69 and name HG2#
) 3.9 0.8 0.8 volume=73496203.250 peak=1726 ppm1=3.212 ppm2=1.245
assign ( resid 70 and name HB2
)
( resid 70 and name HA
) 3.1 0.6 0.6 volume=314532171.500 peak=1727 ppm1=3.274 ppm2=4.284
assign ( resid 70 and name HB2
)
( resid 67 and name HA
) 3.6 0.7 0.7 volume=133359354.500 peak=1729 ppm1=3.274 ppm2=4.062
assign ( resid 70 and name HB3
)
( resid 71 and name H
) 3.4 0.7 0.7 volume=183550539.250 peak=1733 ppm1=3.213 ppm2=8.159
assign ( resid 70 and name HB2
)
( resid 70 and name H
) 3.1 0.6 0.6 volume=293989253.000 peak=1734 ppm1=3.275 ppm2=7.871
assign ( resid 70 and name HB3
)
( resid 70 and name H
) 3.1 0.6 0.6 volume=310743592.000 peak=1735 ppm1=3.214 ppm2=7.870
assign ( resid 72 and name HB
)
( resid 72 and name HA
) 2.9 0.6 0.6 volume=502421439.000 peak=1738 ppm1=4.057 ppm2=4.500
assign ( resid 72 and name HA
)
( resid 73 and name H
) 3.7 0.7 0.7 volume=102932823.000 peak=1739 ppm1=4.494 ppm2=8.148
assign ( resid 72 and name HA
)
( resid 74 and name H
) 4.4 0.9 0.9 volume=39620916.438 peak=1740 ppm1=4.494 ppm2=7.647
assign ( resid 72 and name HA
)
( resid 72 and name H
) 3.5 0.7 0.7 volume=143688457.750 peak=1741 ppm1=4.497 ppm2=7.864
assign ( resid 72 and name HA
)
( resid 9 and name HG
) 4.3 0.9 0.9 volume=45818180.078 peak=1743 ppm1=4.497 ppm2=1.473
assign ( resid 70 and name HB3
)
( resid 71 and name HD22
) 4.4 0.9 0.9 volume=35689810.938 peak=1744 ppm1=3.219 ppm2=7.345
assign ( resid 93 and name HB3
)
( resid 93 and name HB2
) 3.0 0.6 0.6 volume=341511322.500 peak=1746 ppm1=2.807 ppm2=2.454
assign ( resid 93 and name HB2
)
( resid 90 and name HD2#
) 3.8 0.8 0.8 volume=95236744.750 peak=1747 ppm1=2.456 ppm2=0.968
assign ( resid 93 and name HB3
)
( resid 90 and name HD2#
) 3.7 0.7 0.7 volume=110693271.000 peak=1748 ppm1=2.806 ppm2=0.964
assign ( resid 93 and name HD2
)
( resid 93 and name HB2
) 4.1 0.8 0.8 volume=58823560.500 peak=1750 ppm1=5.983 ppm2=2.453
assign ( resid 93 and name HB3
)
( resid 93 and name H
) 3.4 0.7 0.7 volume=188677160.250 peak=1751 ppm1=2.806 ppm2=7.796
assign ( resid 93 and name HB2
)
( resid 93 and name H
) 3.3 0.7 0.7 volume=211345671.500 peak=1752 ppm1=2.454 ppm2=7.798
assign ( resid 93 and name HB3
)
( resid 94 and name H
) 3.7 0.7 0.7 volume=100806202.500 peak=1753 ppm1=2.810 ppm2=8.505
assign ( resid 93 and name HB2
)
( resid 94 and name H
) 3.7 0.7 0.7 volume=105550619.750 peak=1754 ppm1=2.452 ppm2=8.505
assign ( resid 97 and name HB2
)
( resid 98 and name H
) 4.1 0.8 0.8 volume=61172762.188 peak=1755 ppm1=1.641 ppm2=8.044
assign ( resid 97 and name HB3
)
( resid 98 and name H
) 4.0 0.8 0.8 volume=66701715.375 peak=1756 ppm1=1.539 ppm2=8.038
assign ( resid 97 and name HB2
)
( resid 97 and name H
) 3.7 0.7 0.7 volume=109091663.500 peak=1757 ppm1=1.639 ppm2=7.763
assign ( resid 97 and name HB3
)
( resid 97 and name H
) 3.7 0.7 0.7 volume=115188945.250 peak=1758 ppm1=1.540 ppm2=7.768
assign ( resid 97 and name HA
)
( resid 97 and name HB2
) 3.1 0.6 0.6 volume=141359846.250 peak=1759 ppm1=3.906 ppm2=1.644
assign ( resid 97 and name HA
)
( resid 97 and name HB3
) 3.3 0.7 0.7 volume=123380638.750 peak=1760 ppm1=3.905 ppm2=1.538
assign ( resid 97 and name HB3
)
( resid 94 and name HA
) 3.6 0.7 0.7 volume=78692913.875 peak=1762 ppm1=1.544 ppm2=3.486
assign ( resid 97 and name HD2
)
( resid 97 and name HB3
) 3.7 0.7 0.7 volume=41427958.750 peak=1764 ppm1=2.987 ppm2=1.549
assign ( resid 97 and name HB3
)
( resid 97 and name HD3
) 3.8 0.8 0.8 volume=41626443.812 peak=1766 ppm1=1.543 ppm2=2.777
assign ( resid 97 and name HB2
)
( resid 97 and name HB3
) 3.0 0.6 0.6 volume=380690997.000 peak=1768 ppm1=1.641 ppm2=1.541
assign ( resid 97 and name HB2
)
( resid 74 and name HD2#
) 3.2 0.6 0.6 volume=244436979.500 peak=1769 ppm1=1.642 ppm2=0.688
assign ( resid 97 and name HB3
)
( resid 74 and name HD2#
) 3.3 0.7 0.7 volume=226089328.000 peak=1770 ppm1=1.542 ppm2=0.688
assign ( resid 97 and name HG3
)
( resid 97 and name HB2
) 3.1 0.6 0.6 volume=244060175.500 peak=1771 ppm1=1.126 ppm2=1.642
assign ( resid 97 and name HB3
)
( resid 97 and name HG3
) 3.1 0.6 0.6 volume=224635247.000 peak=1772 ppm1=1.542 ppm2=1.126
assign ( resid 81 and name HG2#
)
( resid 81 and name HG12
) 3.0 0.6 0.6 volume=236077085.500 peak=1774 ppm1=0.237 ppm2=1.024
assign ( resid 81 and name HG13
)
( resid 81 and name HG2#
) 3.2 0.6 0.6 volume=266703247.500 peak=1775 ppm1=0.654 ppm2=0.239
assign ( resid 64 and name HD1#
)
( resid 81 and name HG12
) 3.3 0.7 0.7 volume=79082036.875 peak=1777 ppm1=0.390 ppm2=1.031
assign ( resid 81 and name HG13
)
( resid 64 and name HD1#
) 3.6 0.7 0.7 volume=118806750.750 peak=1778 ppm1=0.658 ppm2=0.383
assign ( resid 81 and name HG12
)
( resid 61 and name HB#
) 3.5 0.7 0.7 volume=146127409.750 peak=1780 ppm1=1.035 ppm2=1.185
assign ( resid 81 and name HG13
)
( resid 81 and name HG12
) 2.7 0.5 0.5 volume=739790586.000 peak=1781 ppm1=0.654 ppm2=1.032
assign ( resid 81 and name HG13
)
( resid 61 and name HB#
) 3.5 0.7 0.7 volume=152133291.250 peak=1782 ppm1=0.656 ppm2=1.191
assign ( resid 81 and name HB
)
( resid 81 and name HG13
) 3.3 0.7 0.7 volume=174526415.500 peak=1784 ppm1=1.547 ppm2=0.651
assign ( resid 81 and name HG13
)
( resid 64 and name HB3
) 4.2 0.8 0.8 volume=46269465.875 peak=1785 ppm1=0.652 ppm2=1.806
assign ( resid 61 and name HA
)
( resid 81 and name HG12
) 3.9 0.8 0.8 volume=65231656.250 peak=1786 ppm1=3.625 ppm2=0.999
assign ( resid 81 and name HA
)
( resid 81 and name HG13
) 3.6 0.7 0.7 volume=90843440.125 peak=1788 ppm1=3.799 ppm2=0.664
assign ( resid 81 and name HG12
)
( resid 81 and name H
) 3.5 0.7 0.7 volume=157435391.500 peak=1789 ppm1=1.030 ppm2=8.068
assign ( resid 45 and name HD1#
)
( resid 33 and name HG2#
) 2.6 0.5 0.5 volume=864307115.000 peak=1790 ppm1=0.671 ppm2=1.184
assign ( resid 34 and name HB#
)
( resid 45 and name HD1#
) 2.8 0.6 0.6 volume=587682419.000 peak=1791 ppm1=1.319 ppm2=0.679
assign ( resid 45 and name HD1#
)
( resid 45 and name HG13
) 2.8 0.6 0.6 volume=564981251.000 peak=1792 ppm1=0.671 ppm2=1.378
assign ( resid 45 and name HD1#
)
( resid 45 and name HG12
) 2.7 0.5 0.5 volume=779797561.000 peak=1793 ppm1=0.670 ppm2=1.607
assign ( resid 45 and name HD1#
)
( resid 45 and name HB
) 3.0 0.6 0.6 volume=353222339.000 peak=1794 ppm1=0.671 ppm2=2.121
assign ( resid 45 and name HD1#
)
( resid 39 and name HB2
) 4.3 0.9 0.9 volume=41735050.109 peak=1795 ppm1=0.671 ppm2=3.013
assign ( resid 45 and name HD1#
)
( resid 33 and name HB
) 3.1 0.6 0.6 volume=294772440.500 peak=1796 ppm1=0.672 ppm2=4.228
assign ( resid 45 and name HD1#
)
( resid 45 and name HA
) 2.8 0.6 0.6 volume=606446675.000 peak=1797 ppm1=0.671 ppm2=3.950
assign ( resid 45 and name HD1#
)
( resid 34 and name HA
) 3.1 0.6 0.6 volume=305089309.500 peak=1798 ppm1=0.671 ppm2=3.632
assign ( resid 45 and name HD1#
)
( resid 44 and name HB3
) 4.4 0.9 0.9 volume=37348545.242 peak=1799 ppm1=0.674 ppm2=3.810
assign ( resid 45 and name HD1#
)
( resid 45 and name H
) 3.4 0.7 0.7 volume=179018519.500 peak=1800 ppm1=0.671 ppm2=7.517
assign ( resid 45 and name HD1#
)
( resid 33 and name H
) 3.9 0.8 0.8 volume=72275450.188 peak=1801 ppm1=0.672 ppm2=8.185
assign ( resid 45 and name HD1#
)
( resid 44 and name H
) 4.4 0.9 0.9 volume=38965904.406 peak=1802 ppm1=0.671 ppm2=8.031
assign ( resid 45 and name HD1#
)
( resid 34 and name H
) 3.4 0.7 0.7 volume=165099313.750 peak=1803 ppm1=0.672 ppm2=8.374
assign ( resid 56 and name HD1#
)
( resid 64 and name H
) 3.9 0.8 0.8 volume=81407024.125 peak=1804 ppm1=0.668 ppm2=8.590
assign ( resid 56 and name HD1#
)
( resid 54 and name H
) 4.1 0.8 0.8 volume=55492121.188 peak=1805 ppm1=0.668 ppm2=7.754
assign ( resid 56 and name HD1#
)
( resid 37 and name H
) 3.8 0.8 0.8 volume=86017111.750 peak=1806 ppm1=0.666 ppm2=7.647
assign ( resid 56 and name HD1#
)
( resid 56 and name H
) 3.3 0.7 0.7 volume=207889636.750 peak=1807 ppm1=0.668 ppm2=7.536
assign ( resid 56 and name HD1#
)
( resid 61 and name HA
) 3.2 0.6 0.6 volume=266325602.500 peak=1809 ppm1=0.669 ppm2=3.623
assign ( resid 56 and name HD1#
)
( resid 33 and name HB
) 3.7 0.7 0.7 volume=109785808.375 peak=1810 ppm1=0.670 ppm2=4.250
assign ( resid 56 and name HD1#
)
( resid 51 and name HB2
) 3.7 0.7 0.7 volume=108289998.500 peak=1813 ppm1=0.667 ppm2=2.771
assign ( resid 56 and name HD1#
)
( resid 56 and name HB
) 2.8 0.6 0.6 volume=625381131.000 peak=1814 ppm1=0.669 ppm2=1.670
assign ( resid 56 and name HD1#
)
( resid 54 and name HB2
) 3.6 0.7 0.7 volume=127543627.750 peak=1815 ppm1=0.668 ppm2=1.518
assign ( resid 56 and name HD1#
)
( resid 56 and name HG12
) 2.6 0.5 0.5 volume=926736242.000 peak=1816 ppm1=0.668 ppm2=1.349
assign ( resid 56 and name HD1#
)
( resid 33 and name HG2#
) 2.7 0.5 0.5 volume=710875149.000 peak=1817 ppm1=0.668 ppm2=1.186
assign ( resid 56 and name HD1#
)
( resid 64 and name HD1#
) 2.7 0.5 0.5 volume=556137254.000 peak=1818 ppm1=0.669 ppm2=0.387
assign ( resid 56 and name HD1#
)
( resid 81 and name HG2#
) 3.8 0.8 0.8 volume=88361093.875 peak=1820 ppm1=0.671 ppm2=0.229
assign ( resid 56 and name HD1#
)
( resid 81 and name HD1#
) 4.0 0.8 0.8 volume=64799812.312 peak=1821 ppm1=0.666 ppm2=0.129
assign ( resid 88 and name HD2
)
( resid 89 and name HA
) 4.1 0.8 0.8 volume=54273084.625 peak=1822 ppm1=6.850 ppm2=4.088
assign ( resid 88 and name HD2
)
( resid 89 and name H
) 4.5 0.9 0.9 volume=33275815.688 peak=1823 ppm1=6.850 ppm2=8.357
assign ( resid 93 and name HD2
)
( resid 93 and name HB3
) 4.0 0.8 0.8 volume=39756513.188 peak=1824 ppm1=5.988 ppm2=2.809
assign ( resid 70 and name HA
)
( resid 70 and name HD2
) 4.2 0.8 0.8 volume=43903238.688 peak=1825 ppm1=4.288 ppm2=6.949
assign ( resid 95 and name HD2
)
( resid 21 and name HG3
) 4.7 0.9 0.9 volume=24190924.219 peak=1828 ppm1=6.541 ppm2=2.314
assign ( resid 88 and name HD2
)
( resid 92 and name HG3
) 4.6 0.9 0.9 volume=30696157.719 peak=1829 ppm1=6.850 ppm2=2.091
assign ( resid 39 and name HD2
)
( resid 34 and name HA
) 4.6 0.9 0.9 volume=29187301.531 peak=1830 ppm1=6.807 ppm2=3.631
assign ( resid 88 and name HD2
)
( resid 48 and name HB#
) 4.8 1.0 1.0 volume=22554951.562 peak=1831 ppm1=6.853 ppm2=1.268
assign ( resid 102 and name HD2
)
( resid 101 and name HB2
) 4.9 1.0 1.0 volume=19019322.148 peak=1833 ppm1=7.009 ppm2=3.811
assign ( resid 102 and name HD2
)
( resid 102 and name HA
) 3.8 0.8 0.8 volume=33495809.188 peak=1834 ppm1=6.963 ppm2=4.435
assign ( resid 67 and name HB
)
( resid 71 and name HD21
) 4.5 0.9 0.9 volume=32506053.766 peak=1835 ppm1=4.238 ppm2=7.240
assign ( resid 97 and name HA
)
( resid 98 and name H
) 3.7 0.7 0.7 volume=99116300.750 peak=1836 ppm1=3.905 ppm2=8.039
assign ( resid 71 and name HA
)
( resid 70 and name HD2
) 4.5 0.9 0.9 volume=32176284.250 peak=1838 ppm1=4.447 ppm2=6.970
assign ( resid 72 and name HB
)
( resid 72 and name H
) 4.0 0.8 0.8 volume=65755290.125 peak=1839 ppm1=4.056 ppm2=7.864
assign ( resid 72 and name HB
)
( resid 74 and name H
) 3.8 0.8 0.8 volume=92668311.000 peak=1840 ppm1=4.058 ppm2=7.643
assign ( resid 72 and name HB
)
( resid 73 and name H
) 4.3 0.9 0.9 volume=43002668.750 peak=1841 ppm1=4.060 ppm2=8.155
assign ( resid 72 and name HB
)
( resid 9 and name HB2
) 4.1 0.8 0.8 volume=53587490.688 peak=1843 ppm1=4.061 ppm2=1.642
assign ( resid 72 and name HB
)
( resid 74 and name HB3
) 4.1 0.8 0.8 volume=58284016.875 peak=1844 ppm1=4.059 ppm2=1.545
assign ( resid 72 and name HB
)
( resid 74 and name HB2
) 4.3 0.9 0.9 volume=41152897.688 peak=1846 ppm1=4.052 ppm2=0.996
assign ( resid 72 and name HB
)
( resid 9 and name HD2#
) 3.0 0.6 0.6 volume=377386549.000 peak=1847 ppm1=4.058 ppm2=0.859
assign ( resid 72 and name HB
)
( resid 94 and name HD1#
) 3.0 0.6 0.6 volume=409490142.000 peak=1848 ppm1=4.058 ppm2=0.694
assign ( resid 88 and name HB3
)
( resid 89 and name H
) 3.7 0.7 0.7 volume=104961496.500 peak=1849 ppm1=2.854 ppm2=8.362
assign ( resid 88 and name HB2
)
( resid 89 and name H
) 3.7 0.7 0.7 volume=100681822.000 peak=1850 ppm1=2.812 ppm2=8.362
assign ( resid 88 and name HB3
)
( resid 88 and name H
) 3.4 0.7 0.7 volume=190211719.500 peak=1851 ppm1=2.855 ppm2=8.972
assign ( resid 88 and name HB2
)
( resid 88 and name H
) 3.4 0.7 0.7 volume=185692454.500 peak=1852 ppm1=2.813 ppm2=8.970
assign ( resid 95 and name HB3
)
( resid 96 and name H
) 3.6 0.7 0.7 volume=123005661.000 peak=1853 ppm1=3.244 ppm2=8.233
assign ( resid 95 and name HB2
)
( resid 96 and name H
) 3.8 0.8 0.8 volume=89309779.500 peak=1854 ppm1=2.915 ppm2=8.231
assign ( resid 95 and name HB3
)
( resid 95 and name H
) 3.2 0.6 0.6 volume=249714207.000 peak=1855 ppm1=3.243 ppm2=8.561
assign ( resid 95 and name HB2
)
( resid 95 and name H
) 3.2 0.6 0.6 volume=244198324.500 peak=1856 ppm1=2.911 ppm2=8.560
assign ( resid 39 and name HB2
)
( resid 39 and name HA
) 3.0 0.6 0.6 volume=121861088.500 peak=1857 ppm1=3.036 ppm2=4.690
assign ( resid 88 and name HB3
)
( resid 88 and name HD2
) 4.2 0.8 0.8 volume=52477190.750 peak=1859 ppm1=2.858 ppm2=6.848
assign ( resid 88 and name HB3
)
( resid 88 and name HA
) 3.4 0.7 0.7 volume=176813470.750 peak=1861 ppm1=2.857 ppm2=4.194
assign ( resid 40 and name HA
)
( resid 40 and name HB2
) 3.4 0.7 0.7 volume=103633170.500 peak=1863 ppm1=4.479 ppm2=3.177
assign ( resid 40 and name HB3
)
( resid 40 and name HA
) 3.5 0.7 0.7 volume=74389510.000 peak=1864 ppm1=3.015 ppm2=4.482
assign ( resid 73 and name HA3
)
( resid 74 and name HD2#
) 4.4 0.9 0.9 volume=37780643.594 peak=1865 ppm1=4.063 ppm2=0.697
assign ( resid 70 and name HB3
)
( resid 69 and name H
) 4.7 0.9 0.9 volume=23749972.312 peak=1866 ppm1=3.213 ppm2=9.118
assign ( resid 70 and name HB2
)
( resid 69 and name H
) 4.7 0.9 0.9 volume=23991481.000 peak=1867 ppm1=3.280 ppm2=9.107
assign ( resid 73 and name HA3
)
( resid 72 and name H
) 4.2 0.8 0.8 volume=47897837.438 peak=1868 ppm1=4.058 ppm2=7.860
assign ( resid 73 and name HA2
)
( resid 72 and name H
) 4.1 0.8 0.8 volume=55066026.188 peak=1869 ppm1=3.807 ppm2=7.853
assign ( resid 73 and name HA2
)
( resid 74 and name H
) 3.9 0.8 0.8 volume=78432838.250 peak=1870 ppm1=3.812 ppm2=7.643
assign ( resid 73 and name HA3
)
( resid 73 and name H
) 3.2 0.6 0.6 volume=262923252.000 peak=1871 ppm1=4.063 ppm2=8.154
assign ( resid 73 and name HA2
)
( resid 73 and name H
) 3.1 0.6 0.6 volume=295531848.500 peak=1872 ppm1=3.809 ppm2=8.156
assign ( resid 73 and name HA2
)
( resid 73 and name HA3
) 2.7 0.5 0.5 volume=764264804.000 peak=1873 ppm1=3.810 ppm2=4.062
assign ( resid 73 and name HA3
)
( resid 6 and name HB#
) 3.4 0.7 0.7 volume=175084240.750 peak=1875 ppm1=4.062 ppm2=1.275
assign ( resid 74 and name HA
)
( resid 74 and name HB3
) 3.5 0.7 0.7 volume=157868163.000 peak=1877 ppm1=4.251 ppm2=1.542
assign ( resid 74 and name HB2
)
( resid 74 and name HA
) 3.3 0.7 0.7 volume=216225519.000 peak=1878 ppm1=0.987 ppm2=4.246
assign ( resid 74 and name HA
)
( resid 74 and name H
) 3.6 0.7 0.7 volume=133860473.625 peak=1879 ppm1=4.248 ppm2=7.643
assign ( resid 74 and name HA
)
( resid 75 and name H
) 3.1 0.6 0.6 volume=308026164.000 peak=1880 ppm1=4.249 ppm2=8.490
assign ( resid 74 and name HB2
)
( resid 74 and name HB3
) 3.0 0.6 0.6 volume=354942347.000 peak=1881 ppm1=0.990 ppm2=1.537
assign ( resid 74 and name HB3
)
( resid 74 and name H
) 3.5 0.7 0.7 volume=141963048.000 peak=1885 ppm1=1.542 ppm2=7.643
assign ( resid 74 and name HB2
)
( resid 74 and name H
) 3.6 0.7 0.7 volume=117134346.000 peak=1886 ppm1=0.984 ppm2=7.639
assign ( resid 75 and name HB2
)
( resid 75 and name H
) 3.2 0.6 0.6 volume=234574675.500 peak=1887 ppm1=2.617 ppm2=8.490
assign ( resid 75 and name HB3
)
( resid 75 and name H
) 3.3 0.7 0.7 volume=229189025.500 peak=1888 ppm1=2.462 ppm2=8.491
assign ( resid 75 and name HB3
)
( resid 76 and name H
) 4.0 0.8 0.8 volume=70063266.875 peak=1889 ppm1=2.462 ppm2=7.863
assign ( resid 75 and name HB2
)
( resid 74 and name HA
) 3.9 0.8 0.8 volume=77142954.000 peak=1890 ppm1=2.618 ppm2=4.247
assign ( resid 75 and name HB3
)
( resid 74 and name HA
) 4.0 0.8 0.8 volume=62060570.875 peak=1891 ppm1=2.457 ppm2=4.244
assign ( resid 75 and name HB3
)
( resid 75 and name HB2
) 2.2 0.4 0.4 volume=2295662816.000 peak=1892 ppm1=2.462 ppm2=2.617
assign ( resid 75 and name HB2
)
( resid 74 and name HB2
) 4.4 0.9 0.9 volume=38431422.875 peak=1894 ppm1=2.620 ppm2=0.993
assign ( resid 60 and name HA
)
( resid 61 and name HA
) 4.4 0.9 0.9 volume=39818702.688 peak=1895 ppm1=4.015 ppm2=3.635
assign ( resid 78 and name HA
)
( resid 79 and name H
) 4.0 0.8 0.8 volume=68338397.125 peak=1896 ppm1=4.032 ppm2=6.739
assign ( resid 78 and name HA
)
( resid 80 and name H
) 4.1 0.8 0.8 volume=54339402.375 peak=1897 ppm1=4.027 ppm2=7.327
assign ( resid 78 and name HA
)
( resid 65 and name HD2
) 4.2 0.8 0.8 volume=48556130.500 peak=1898 ppm1=4.028 ppm2=3.148
assign ( resid 60 and name HA
)
( resid 63 and name HB2
) 2.6 0.5 0.5 volume=875672794.000 peak=1899 ppm1=4.015 ppm2=2.029
assign ( resid 78 and name HA
)
( resid 79 and name HG2#
) 4.3 0.9 0.9 volume=41188430.125 peak=1900 ppm1=4.030 ppm2=1.126
assign ( resid 78 and name HB2
)
( resid 78 and name HA
) 2.9 0.6 0.6 volume=462387071.000 peak=1901 ppm1=2.287 ppm2=4.028
assign ( resid 78 and name HB2
)
( resid 79 and name H
) 4.3 0.9 0.9 volume=44697244.875 peak=1902 ppm1=2.281 ppm2=6.736
assign ( resid 78 and name HB3
)
( resid 78 and name HB2
) 2.3 0.5 0.5 volume=1641899808.000 peak=1903 ppm1=2.016 ppm2=2.286
assign ( resid 78 and name HB2
)
( resid 79 and name HG2#
) 4.1 0.8 0.8 volume=57952426.625 peak=1904 ppm1=2.288 ppm2=1.123
assign ( resid 78 and name HB3
)
( resid 79 and name HG2#
) 3.7 0.7 0.7 volume=108341143.500 peak=1905 ppm1=2.014 ppm2=1.122
assign ( resid 79 and name HA
)
( resid 79 and name HB
) 3.2 0.6 0.6 volume=278071882.500 peak=1906 ppm1=4.191 ppm2=4.748
assign ( resid 79 and name HB
)
( resid 82 and name HD#
) 3.8 0.8 0.8 volume=94504172.000 peak=1907 ppm1=4.753 ppm2=7.103
assign ( resid 79 and name HB
)
( resid 79 and name H
) 4.2 0.8 0.8 volume=46970025.750 peak=1908 ppm1=4.757 ppm2=6.718
assign ( resid 79 and name HB
)
( resid 82 and name HB2
) 3.8 0.8 0.8 volume=95230635.875 peak=1909 ppm1=4.752 ppm2=2.913
assign ( resid 79 and name HB
)
( resid 82 and name HB3
) 3.9 0.8 0.8 volume=76058773.625 peak=1910 ppm1=4.746 ppm2=3.146
assign ( resid 82 and name HE#
)
( resid 79 and name HA
) 4.0 0.8 0.8 volume=42124529.938 peak=1913 ppm1=7.230 ppm2=4.194
assign ( resid 79 and name HA
)
( resid 80 and name H
) 3.8 0.8 0.8 volume=94772001.125 peak=1914 ppm1=4.191 ppm2=7.318
assign ( resid 79 and name HA
)
( resid 79 and name H
) 3.6 0.7 0.7 volume=126982802.500 peak=1916 ppm1=4.191 ppm2=6.737
assign ( resid 79 and name HA
)
( resid 82 and name HB2
) 4.4 0.9 0.9 volume=37633435.688 peak=1917 ppm1=4.189 ppm2=2.914
assign ( resid 79 and name HA
)
( resid 78 and name HB3
) 4.2 0.8 0.8 volume=47098942.000 peak=1918 ppm1=4.192 ppm2=2.042
assign ( resid 72 and name HG2#
)
( resid 74 and name H
) 3.7 0.7 0.7 volume=114684430.250 peak=1920 ppm1=1.119 ppm2=7.643
assign ( resid 72 and name HG2#
)
( resid 72 and name H
) 3.0 0.6 0.6 volume=410701363.500 peak=1921 ppm1=1.119 ppm2=7.865
assign ( resid 72 and name HG2#
)
( resid 73 and name H
) 3.3 0.7 0.7 volume=200490210.250 peak=1922 ppm1=1.118 ppm2=8.155
assign ( resid 72 and name HB
)
( resid 72 and name HG2#
) 2.5 0.5 0.5 volume=1061693008.000 peak=1924 ppm1=4.057 ppm2=1.119
assign ( resid 72 and name HG2#
)
( resid 94 and name HA
) 4.1 0.8 0.8 volume=56495090.875 peak=1925 ppm1=1.120 ppm2=3.476
assign ( resid 72 and name HG2#
)
( resid 71 and name HB2
) 3.5 0.7 0.7 volume=153362835.250 peak=1927 ppm1=1.119 ppm2=2.624
assign ( resid 72 and name HG2#
)
( resid 68 and name HB2
) 3.5 0.7 0.7 volume=159770266.000 peak=1928 ppm1=1.120 ppm2=1.905
assign ( resid 72 and name HG2#
)
( resid 9 and name HB2
) 3.5 0.7 0.7 volume=160446021.000 peak=1929 ppm1=1.117 ppm2=1.639
assign ( resid 72 and name HG2#
)
( resid 74 and name HB3
) 3.7 0.7 0.7 volume=102959740.250 peak=1930 ppm1=1.119 ppm2=1.570
assign ( resid 72 and name HG2#
)
( resid 32 and name HB#
) 3.4 0.7 0.7 volume=162619516.750 peak=1932 ppm1=1.119 ppm2=1.396
assign ( resid 72 and name HG2#
)
( resid 9 and name HD1#
) 2.4 0.5 0.5 volume=1332388858.000 peak=1933 ppm1=1.119 ppm2=0.831
assign ( resid 79 and name HG2#
)
( resid 80 and name H
) 3.7 0.7 0.7 volume=103437791.625 peak=1935 ppm1=1.124 ppm2=7.323
assign ( resid 79 and name HA
)
( resid 79 and name HG2#
) 2.6 0.5 0.5 volume=963397447.000 peak=1936 ppm1=4.191 ppm2=1.122
assign ( resid 82 and name HB3
)
( resid 79 and name HG2#
) 4.0 0.8 0.8 volume=63370515.031 peak=1937 ppm1=3.127 ppm2=1.105
assign ( resid 80 and name HA
)
( resid 83 and name HB2
) 3.8 0.8 0.8 volume=86639583.125 peak=1939 ppm1=3.985 ppm2=2.265
assign ( resid 16 and name HB3
)
( resid 16 and name HB2
) 3.2 0.6 0.6 volume=210297959.000 peak=1940 ppm1=1.602 ppm2=1.830
assign ( resid 16 and name HB2
)
( resid 16 and name HD2#
) 3.0 0.6 0.6 volume=351905445.500 peak=1941 ppm1=1.842 ppm2=0.766
assign ( resid 16 and name HB2
)
( resid 20 and name HB2
) 3.6 0.7 0.7 volume=54691666.562 peak=1943 ppm1=1.844 ppm2=2.032
assign ( resid 16 and name HB3
)
( resid 21 and name HG3
) 4.2 0.8 0.8 volume=52717436.938 peak=1944 ppm1=1.605 ppm2=2.296
assign ( resid 16 and name HB2
)
( resid 21 and name HG3
) 3.9 0.8 0.8 volume=71950893.625 peak=1945 ppm1=1.841 ppm2=2.297
assign ( resid 16 and name HB3
)
( resid 21 and name HG2
) 4.1 0.8 0.8 volume=55734309.125 peak=1948 ppm1=1.605 ppm2=2.885
assign ( resid 16 and name HB2
)
( resid 21 and name HG2
) 3.9 0.8 0.8 volume=73840831.000 peak=1949 ppm1=1.847 ppm2=2.883
assign ( resid 16 and name HB2
)
( resid 13 and name HA
) 4.2 0.8 0.8 volume=51288644.812 peak=1950 ppm1=1.841 ppm2=4.094
assign ( resid 16 and name HB2
)
( resid 16 and name HA
) 4.0 0.8 0.8 volume=67863537.750 peak=1951 ppm1=1.848 ppm2=4.617
assign ( resid 16 and name HB3
)
( resid 16 and name HA
) 3.8 0.8 0.8 volume=87479140.125 peak=1952 ppm1=1.598 ppm2=4.610
assign ( resid 16 and name HB2
)
( resid 16 and name H
) 3.6 0.7 0.7 volume=120337006.000 peak=1953 ppm1=1.842 ppm2=7.351
assign ( resid 16 and name HB2
)
( resid 21 and name H
) 4.5 0.9 0.9 volume=32006802.062 peak=1954 ppm1=1.840 ppm2=9.152
assign ( resid 16 and name HB2
)
( resid 17 and name H
) 4.3 0.9 0.9 volume=40228980.312 peak=1955 ppm1=1.842 ppm2=8.825
assign ( resid 16 and name HB3
)
( resid 17 and name H
) 4.0 0.8 0.8 volume=63263738.750 peak=1956 ppm1=1.598 ppm2=8.824
assign ( resid 16 and name HB3
)
( resid 21 and name H
) 4.3 0.9 0.9 volume=45286751.375 peak=1957 ppm1=1.593 ppm2=9.158
assign ( resid 98 and name HB2
)
( resid 98 and name HB3
) 2.8 0.6 0.6 volume=597840584.000 peak=1959 ppm1=1.393 ppm2=1.663
assign ( resid 98 and name HB3
)
( resid 98 and name HD1#
) 3.2 0.6 0.6 volume=275782035.000 peak=1960 ppm1=1.669 ppm2=0.878
assign ( resid 98 and name HB3
)
( resid 98 and name HD2#
) 2.9 0.6 0.6 volume=419777249.000 peak=1961 ppm1=1.668 ppm2=0.742
assign ( resid 98 and name HB2
)
( resid 98 and name HD1#
) 2.6 0.5 0.5 volume=341695719.500 peak=1962 ppm1=1.392 ppm2=0.876
assign ( resid 98 and name HB2
)
( resid 98 and name HD2#
) 3.0 0.6 0.6 volume=389992893.000 peak=1963 ppm1=1.393 ppm2=0.745
assign ( resid 98 and name HA
)
( resid 98 and name HB3
) 2.9 0.6 0.6 volume=165622293.500 peak=1964 ppm1=4.193 ppm2=1.656
assign ( resid 98 and name HB3
)
( resid 98 and name H
) 3.4 0.7 0.7 volume=185997949.500 peak=1966 ppm1=1.668 ppm2=8.043
assign ( resid 98 and name HB2
)
( resid 98 and name H
) 3.5 0.7 0.7 volume=137827536.500 peak=1967 ppm1=1.388 ppm2=8.046
assign ( resid 98 and name HB3
)
( resid 99 and name H
) 4.2 0.8 0.8 volume=49335733.500 peak=1968 ppm1=1.669 ppm2=7.418
assign ( resid 98 and name HB2
)
( resid 99 and name H
) 4.2 0.8 0.8 volume=47885455.250 peak=1969 ppm1=1.381 ppm2=7.408
assign ( resid 98 and name HB2
)
( resid 95 and name HA
) 4.4 0.9 0.9 volume=39963261.883 peak=1970 ppm1=1.392 ppm2=3.769
assign ( resid 81 and name HA
)
( resid 81 and name H
) 3.6 0.7 0.7 volume=132161962.750 peak=1971 ppm1=3.803 ppm2=8.070
assign ( resid 81 and name HA
)
( resid 84 and name H
) 4.2 0.8 0.8 volume=52371784.562 peak=1972 ppm1=3.795 ppm2=7.289
assign ( resid 81 and name HA
)
( resid 51 and name HD#
) 4.1 0.8 0.8 volume=59396613.125 peak=1973 ppm1=3.799 ppm2=7.076
assign ( resid 81 and name HA
)
( resid 84 and name HB2
) 4.6 0.9 0.9 volume=29468410.953 peak=1974 ppm1=3.796 ppm2=2.303
assign ( resid 81 and name HA
)
( resid 81 and name HB
) 3.3 0.7 0.7 volume=226041812.000 peak=1975 ppm1=3.800 ppm2=1.552
assign ( resid 81 and name HA
)
( resid 81 and name HG12
) 3.6 0.7 0.7 volume=119723829.375 peak=1976 ppm1=3.796 ppm2=1.030
assign ( resid 90 and name HD2#
)
( resid 81 and name HA
) 3.7 0.7 0.7 volume=99768297.000 peak=1977 ppm1=0.938 ppm2=3.815
assign ( resid 81 and name HG12
)
( resid 81 and name HB
) 3.3 0.7 0.7 volume=168856782.250 peak=1981 ppm1=1.030 ppm2=1.546
assign ( resid 81 and name HB
)
( resid 82 and name H
) 4.2 0.8 0.8 volume=50812923.750 peak=1986 ppm1=1.547 ppm2=7.483
assign ( resid 81 and name HB
)
( resid 81 and name H
) 3.3 0.7 0.7 volume=211562989.000 peak=1988 ppm1=1.547 ppm2=8.067
assign ( resid 81 and name HG12
)
( resid 82 and name H
) 4.5 0.9 0.9 volume=34976495.484 peak=1989 ppm1=1.032 ppm2=7.481
assign ( resid 81 and name HG13
)
( resid 82 and name HD#
) 4.4 0.9 0.9 volume=37188550.438 peak=1990 ppm1=0.650 ppm2=7.091
assign ( resid 81 and name HG2#
)
( resid 52 and name H
) 4.5 0.9 0.9 volume=33645865.688 peak=1992 ppm1=0.238 ppm2=9.124
assign ( resid 82 and name HA
)
( resid 83 and name H
) 4.0 0.8 0.8 volume=69009669.500 peak=1993 ppm1=4.332 ppm2=7.972
assign ( resid 82 and name HA
)
( resid 82 and name HD#
) 3.4 0.7 0.7 volume=176103907.500 peak=1994 ppm1=4.336 ppm2=7.107
assign ( resid 82 and name HB2
)
( resid 82 and name HA
) 3.3 0.7 0.7 volume=201885396.500 peak=1995 ppm1=2.910 ppm2=4.329
assign ( resid 82 and name HA
)
( resid 82 and name HB3
) 3.2 0.6 0.6 volume=244323936.250 peak=1996 ppm1=4.337 ppm2=3.138
assign ( resid 82 and name HA
)
( resid 85 and name HB2
) 3.7 0.7 0.7 volume=101709566.125 peak=1997 ppm1=4.350 ppm2=2.252
assign ( resid 82 and name HB3
)
( resid 83 and name H
) 3.7 0.7 0.7 volume=112646905.000 peak=1998 ppm1=3.137 ppm2=7.958
assign ( resid 82 and name HB2
)
( resid 83 and name H
) 3.7 0.7 0.7 volume=115177241.000 peak=1999 ppm1=2.909 ppm2=7.959
assign ( resid 82 and name HB3
)
( resid 82 and name H
) 3.4 0.7 0.7 volume=184160147.500 peak=2000 ppm1=3.136 ppm2=7.466
assign ( resid 82 and name HB2
)
( resid 82 and name H
) 3.3 0.7 0.7 volume=209453294.500 peak=2001 ppm1=2.909 ppm2=7.467
assign ( resid 82 and name HB2
)
( resid 82 and name HD#
) 3.3 0.7 0.7 volume=194110623.750 peak=2005 ppm1=2.908 ppm2=7.106
assign ( resid 82 and name HB3
)
( resid 82 and name HB2
) 2.7 0.5 0.5 volume=766736583.000 peak=2008 ppm1=3.136 ppm2=2.907
assign ( resid 82 and name HB2
)
( resid 79 and name HG2#
) 3.8 0.8 0.8 volume=60401372.500 peak=2009 ppm1=2.909 ppm2=1.127
assign ( resid 83 and name HB2
)
( resid 83 and name H
) 3.5 0.7 0.7 volume=141632502.500 peak=2011 ppm1=2.271 ppm2=7.961
assign ( resid 83 and name HB3
)
( resid 83 and name H
) 3.6 0.7 0.7 volume=135445271.750 peak=2012 ppm1=1.831 ppm2=7.957
assign ( resid 83 and name HB2
)
( resid 84 and name H
) 3.8 0.8 0.8 volume=96531080.000 peak=2013 ppm1=2.270 ppm2=7.315
assign ( resid 83 and name HB3
)
( resid 84 and name H
) 3.8 0.8 0.8 volume=91915198.000 peak=2014 ppm1=1.831 ppm2=7.314
assign ( resid 83 and name HB2
)
( resid 84 and name HD2
) 3.8 0.8 0.8 volume=88449727.375 peak=2015 ppm1=2.272 ppm2=6.710
assign ( resid 84 and name HD2
)
( resid 83 and name HB3
) 3.8 0.8 0.8 volume=89595928.750 peak=2016 ppm1=6.712 ppm2=1.835
assign ( resid 83 and name HB3
)
( resid 83 and name HA
) 3.0 0.6 0.6 volume=315694633.000 peak=2017 ppm1=1.831 ppm2=3.971
assign ( resid 83 and name HB3
)
( resid 83 and name HB2
) 2.9 0.6 0.6 volume=483301546.000 peak=2020 ppm1=1.831 ppm2=2.271
assign ( resid 84 and name HB3
)
( resid 84 and name H
) 3.8 0.8 0.8 volume=89240606.375 peak=2021 ppm1=3.089 ppm2=7.318
assign ( resid 84 and name HB2
)
( resid 84 and name H
) 4.0 0.8 0.8 volume=71213183.000 peak=2022 ppm1=2.293 ppm2=7.319
assign ( resid 84 and name HD2
)
( resid 84 and name HB3
) 4.0 0.8 0.8 volume=66829730.500 peak=2023 ppm1=6.712 ppm2=3.089
assign ( resid 84 and name HB3
)
( resid 84 and name HB2
) 3.0 0.6 0.6 volume=317564056.500 peak=2025 ppm1=3.090 ppm2=2.293
assign ( resid 89 and name HB#
)
( resid 84 and name HB3
) 3.6 0.7 0.7 volume=104436572.750 peak=2027 ppm1=1.644 ppm2=3.081
assign ( resid 84 and name HB2
)
( resid 89 and name HB#
) 3.3 0.7 0.7 volume=124764222.250 peak=2028 ppm1=2.298 ppm2=1.644
assign ( resid 85 and name HA
)
( resid 86 and name H
) 3.8 0.8 0.8 volume=85196558.750 peak=2029 ppm1=5.132 ppm2=7.348
assign ( resid 85 and name HA
)
( resid 51 and name HE#
) 3.8 0.8 0.8 volume=93587220.000 peak=2030 ppm1=5.125 ppm2=7.562
assign ( resid 85 and name HA
)
( resid 81 and name HA
) 4.1 0.8 0.8 volume=57920994.594 peak=2032 ppm1=5.131 ppm2=3.809
assign ( resid 85 and name HD3
)
( resid 85 and name HA
) 4.2 0.8 0.8 volume=52686058.562 peak=2033 ppm1=3.330 ppm2=5.134
assign ( resid 85 and name HA
)
( resid 51 and name HB2
) 4.0 0.8 0.8 volume=68274058.500 peak=2034 ppm1=5.133 ppm2=2.765
assign ( resid 85 and name HA
)
( resid 81 and name HD1#
) 4.0 0.8 0.8 volume=62239554.875 peak=2036 ppm1=5.122 ppm2=0.149
assign ( resid 85 and name HG2
)
( resid 85 and name HB2
) 3.2 0.6 0.6 volume=210866828.500 peak=2038 ppm1=1.983 ppm2=2.262
assign ( resid 85 and name HD3
)
( resid 85 and name HB3
) 3.5 0.7 0.7 volume=90345655.000 peak=2040 ppm1=3.334 ppm2=2.323
assign ( resid 85 and name HB2
)
( resid 85 and name HD3
) 3.4 0.7 0.7 volume=77717491.125 peak=2041 ppm1=2.263 ppm2=3.328
assign ( resid 85 and name HB3
)
( resid 85 and name HA
) 3.3 0.7 0.7 volume=217172791.000 peak=2042 ppm1=2.325 ppm2=5.128
assign ( resid 85 and name HA
)
( resid 85 and name HB2
) 2.9 0.6 0.6 volume=195350702.500 peak=2043 ppm1=5.129 ppm2=2.271
assign ( resid 85 and name HG2
)
( resid 85 and name HA
) 4.2 0.8 0.8 volume=49493565.938 peak=2050 ppm1=1.988 ppm2=5.129
assign ( resid 85 and name HG3
)
( resid 85 and name HA
) 4.4 0.9 0.9 volume=39710216.312 peak=2051 ppm1=1.896 ppm2=5.126
assign ( resid 85 and name HG2
)
( resid 86 and name H
) 4.3 0.9 0.9 volume=43557658.188 peak=2052 ppm1=1.986 ppm2=7.364
assign ( resid 85 and name HG3
)
( resid 86 and name H
) 4.1 0.8 0.8 volume=56028661.375 peak=2053 ppm1=1.893 ppm2=7.361
assign ( resid 85 and name HG3
)
( resid 85 and name HB3
) 3.2 0.6 0.6 volume=245393320.000 peak=2054 ppm1=1.893 ppm2=2.325
assign ( resid 85 and name HG2
)
( resid 85 and name HB3
) 3.2 0.6 0.6 volume=278292176.000 peak=2055 ppm1=1.983 ppm2=2.324
assign ( resid 85 and name HB2
)
( resid 85 and name HG3
) 3.3 0.7 0.7 volume=194333161.250 peak=2056 ppm1=2.264 ppm2=1.892
assign ( resid 85 and name HG3
)
( resid 85 and name HG2
) 2.5 0.5 0.5 volume=932348286.000 peak=2059 ppm1=1.895 ppm2=1.987
assign ( resid 85 and name HG3
)
( resid 89 and name HB#
) 4.0 0.8 0.8 volume=62942148.125 peak=2061 ppm1=1.892 ppm2=1.645
assign ( resid 85 and name HD2
)
( resid 85 and name HB3
) 3.6 0.7 0.7 volume=135880638.000 peak=2063 ppm1=3.585 ppm2=2.323
assign ( resid 86 and name HB
)
( resid 87 and name HD2
) 3.3 0.7 0.7 volume=203519671.500 peak=2064 ppm1=4.377 ppm2=3.694
assign ( resid 86 and name HB
)
( resid 88 and name H
) 3.6 0.7 0.7 volume=130985896.500 peak=2065 ppm1=4.376 ppm2=8.972
assign ( resid 86 and name HB
)
( resid 50 and name H
) 4.5 0.9 0.9 volume=33945961.750 peak=2066 ppm1=4.379 ppm2=8.722
assign ( resid 86 and name HB
)
( resid 51 and name H
) 4.2 0.8 0.8 volume=47652013.938 peak=2067 ppm1=4.376 ppm2=8.621
assign ( resid 86 and name HB
)
( resid 89 and name H
) 3.8 0.8 0.8 volume=84535249.125 peak=2068 ppm1=4.377 ppm2=8.361
assign ( resid 86 and name HB
)
( resid 49 and name H
) 4.4 0.9 0.9 volume=37750221.297 peak=2069 ppm1=4.377 ppm2=7.486
assign ( resid 88 and name HB2
)
( resid 86 and name HB
) 3.9 0.8 0.8 volume=50036033.375 peak=2070 ppm1=2.806 ppm2=4.374
assign ( resid 86 and name HB
)
( resid 87 and name HD3
) 3.5 0.7 0.7 volume=141193597.250 peak=2071 ppm1=4.376 ppm2=2.468
assign ( resid 86 and name HB
)
( resid 89 and name HB#
) 4.2 0.8 0.8 volume=47434831.938 peak=2072 ppm1=4.379 ppm2=1.636
assign ( resid 86 and name HB
)
( resid 48 and name HB#
) 3.8 0.8 0.8 volume=90678069.750 peak=2073 ppm1=4.377 ppm2=1.266
assign ( resid 86 and name HB
)
( resid 86 and name HG2#
) 2.8 0.6 0.6 volume=542996443.000 peak=2074 ppm1=4.376 ppm2=0.939
assign ( resid 87 and name HA
)
( resid 47 and name HA
) 3.9 0.8 0.8 volume=73376583.500 peak=2075 ppm1=4.028 ppm2=4.143
assign ( resid 87 and name HA
)
( resid 86 and name HA
) 4.3 0.9 0.9 volume=41691884.688 peak=2076 ppm1=4.033 ppm2=4.367
assign ( resid 87 and name HA
)
( resid 51 and name HZ
) 3.2 0.6 0.6 volume=272261890.500 peak=2077 ppm1=4.029 ppm2=6.832
assign ( resid 87 and name HA
)
( resid 51 and name HE#
) 3.5 0.7 0.7 volume=152075766.750 peak=2078 ppm1=4.030 ppm2=7.565
assign ( resid 87 and name HA
)
( resid 88 and name H
) 4.2 0.8 0.8 volume=49751089.750 peak=2079 ppm1=4.035 ppm2=8.982
assign ( resid 87 and name HA
)
( resid 91 and name H
) 4.3 0.9 0.9 volume=40243813.062 peak=2080 ppm1=4.033 ppm2=8.870
assign ( resid 87 and name HA
)
( resid 90 and name H
) 4.0 0.8 0.8 volume=67010258.875 peak=2081 ppm1=4.028 ppm2=8.758
assign ( resid 87 and name HA
)
( resid 87 and name HD2
) 4.4 0.9 0.9 volume=38789111.000 peak=2082 ppm1=4.022 ppm2=3.686
assign ( resid 87 and name HA
)
( resid 90 and name HB3
) 3.2 0.6 0.6 volume=268196413.000 peak=2083 ppm1=4.031 ppm2=2.200
assign ( resid 87 and name HA
)
( resid 89 and name HB#
) 4.2 0.8 0.8 volume=52545263.875 peak=2085 ppm1=4.031 ppm2=1.617
assign ( resid 29 and name HG2#
)
( resid 87 and name HA
) 3.0 0.6 0.6 volume=343560531.500 peak=2086 ppm1=1.049 ppm2=4.027
assign ( resid 87 and name HA
)
( resid 87 and name HB2
) 3.4 0.7 0.7 volume=177461305.250 peak=2087 ppm1=4.030 ppm2=1.951
assign ( resid 87 and name HB2
)
( resid 26 and name HA
) 3.3 0.7 0.7 volume=205779255.500 peak=2088 ppm1=1.956 ppm2=4.138
assign ( resid 87 and name HB2
)
( resid 88 and name H
) 4.0 0.8 0.8 volume=68537159.250 peak=2090 ppm1=1.963 ppm2=8.976
assign ( resid 87 and name HD2
)
( resid 54 and name HD2#
) 3.8 0.8 0.8 volume=93358786.750 peak=2092 ppm1=3.690 ppm2=0.708
assign ( resid 87 and name HD2
)
( resid 86 and name HG2#
) 3.8 0.8 0.8 volume=96117852.875 peak=2093 ppm1=3.693 ppm2=0.943
assign ( resid 87 and name HD2
)
( resid 48 and name HB#
) 3.6 0.7 0.7 volume=116225417.000 peak=2094 ppm1=3.693 ppm2=1.248
assign ( resid 87 and name HD3
)
( resid 87 and name HB2
) 4.3 0.9 0.9 volume=44372566.500 peak=2095 ppm1=2.472 ppm2=1.956
assign ( resid 87 and name HD3
)
( resid 51 and name H
) 4.3 0.9 0.9 volume=43910923.688 peak=2096 ppm1=2.472 ppm2=8.623
assign ( resid 88 and name HA
)
( resid 88 and name H
) 3.3 0.7 0.7 volume=199515758.500 peak=2097 ppm1=4.198 ppm2=8.975
assign ( resid 88 and name HA
)
( resid 91 and name H
) 3.8 0.8 0.8 volume=88368765.875 peak=2098 ppm1=4.196 ppm2=8.874
assign ( resid 88 and name HA
)
( resid 89 and name H
) 4.0 0.8 0.8 volume=69532675.500 peak=2099 ppm1=4.197 ppm2=8.357
assign ( resid 88 and name HA
)
( resid 92 and name H
) 4.2 0.8 0.8 volume=53024857.562 peak=2100 ppm1=4.196 ppm2=7.824
assign ( resid 88 and name HD2
)
( resid 88 and name HA
) 4.5 0.9 0.9 volume=31998270.875 peak=2101 ppm1=6.850 ppm2=4.200
assign ( resid 88 and name HA
)
( resid 91 and name HB
) 3.2 0.6 0.6 volume=242832611.000 peak=2102 ppm1=4.198 ppm2=4.336
assign ( resid 88 and name HA
)
( resid 88 and name HB2
) 3.0 0.6 0.6 volume=353586369.000 peak=2103 ppm1=4.196 ppm2=2.838
assign ( resid 88 and name HA
)
( resid 47 and name HB3
) 3.9 0.8 0.8 volume=74984862.625 peak=2104 ppm1=4.200 ppm2=2.351
assign ( resid 88 and name HA
)
( resid 47 and name HB2
) 3.8 0.8 0.8 volume=94846966.750 peak=2105 ppm1=4.197 ppm2=1.915
assign ( resid 88 and name HA
)
( resid 91 and name HG2#
) 3.6 0.7 0.7 volume=133971903.500 peak=2106 ppm1=4.197 ppm2=1.008
assign ( resid 88 and name HB3
)
( resid 47 and name HB3
) 3.8 0.8 0.8 volume=85043394.375 peak=2107 ppm1=2.861 ppm2=2.350
assign ( resid 88 and name HB3
)
( resid 86 and name HB
) 3.8 0.8 0.8 volume=84458891.250 peak=2109 ppm1=2.851 ppm2=4.378
assign ( resid 26 and name HA
)
( resid 30 and name H
) 4.1 0.8 0.8 volume=57581211.625 peak=2113 ppm1=4.157 ppm2=8.635
assign ( resid 89 and name HB#
)
( resid 86 and name HG2#
) 3.2 0.6 0.6 volume=240592973.250 peak=2116 ppm1=1.644 ppm2=0.950
assign ( resid 89 and name HB#
)
( resid 90 and name HB3
) 3.6 0.7 0.7 volume=116204794.000 peak=2118 ppm1=1.644 ppm2=2.158
assign ( resid 85 and name HG2
)
( resid 89 and name HB#
) 3.6 0.7 0.7 volume=130545241.250 peak=2119 ppm1=1.983 ppm2=1.646
assign ( resid 89 and name HB#
)
( resid 92 and name HB3
) 3.7 0.7 0.7 volume=113717566.250 peak=2120 ppm1=1.644 ppm2=2.093
assign ( resid 89 and name HB#
)
( resid 93 and name HB2
) 4.5 0.9 0.9 volume=32874541.656 peak=2121 ppm1=1.646 ppm2=2.425
assign ( resid 89 and name HB#
)
( resid 88 and name HB2
) 3.7 0.7 0.7 volume=103204409.000 peak=2122 ppm1=1.643 ppm2=2.811
assign ( resid 89 and name HB#
)
( resid 85 and name HD2
) 3.3 0.7 0.7 volume=201566952.250 peak=2123 ppm1=1.644 ppm2=3.584
assign ( resid 89 and name HB#
)
( resid 89 and name HA
) 2.5 0.5 0.5 volume=1130948152.000 peak=2126 ppm1=1.644 ppm2=4.087
assign ( resid 89 and name HB#
)
( resid 86 and name HA
) 3.7 0.7 0.7 volume=112805915.750 peak=2127 ppm1=1.643 ppm2=4.366
assign ( resid 90 and name HA
)
( resid 89 and name HB#
) 3.6 0.7 0.7 volume=111135344.500 peak=2128 ppm1=3.990 ppm2=1.621
assign ( resid 89 and name HB#
)
( resid 86 and name H
) 2.7 0.5 0.5 volume=685581018.000 peak=2130 ppm1=1.644 ppm2=7.363
assign ( resid 89 and name HB#
)
( resid 93 and name H
) 3.9 0.8 0.8 volume=74986539.250 peak=2131 ppm1=1.642 ppm2=7.805
assign ( resid 89 and name HB#
)
( resid 51 and name HE#
) 4.1 0.8 0.8 volume=53788589.562 peak=2132 ppm1=1.645 ppm2=7.561
assign ( resid 89 and name HB#
)
( resid 89 and name H
) 2.8 0.6 0.6 volume=609421334.000 peak=2133 ppm1=1.644 ppm2=8.363
assign ( resid 89 and name HB#
)
( resid 91 and name H
) 4.4 0.9 0.9 volume=35532113.707 peak=2134 ppm1=1.643 ppm2=8.873
assign ( resid 89 and name HB#
)
( resid 90 and name H
) 3.0 0.6 0.6 volume=355079404.500 peak=2135 ppm1=1.643 ppm2=8.760
assign ( resid 89 and name HB#
)
( resid 88 and name H
) 4.3 0.9 0.9 volume=45520911.000 peak=2136 ppm1=1.643 ppm2=8.978
assign ( resid 90 and name HA
)
( resid 91 and name H
) 4.3 0.9 0.9 volume=45993558.750 peak=2137 ppm1=3.996 ppm2=8.882
assign ( resid 90 and name HA
)
( resid 90 and name H
) 3.6 0.7 0.7 volume=134049375.250 peak=2138 ppm1=3.994 ppm2=8.761
assign ( resid 90 and name HA
)
( resid 84 and name HB3
) 3.6 0.7 0.7 volume=122865253.750 peak=2139 ppm1=3.996 ppm2=3.089
assign ( resid 93 and name HB2
)
( resid 90 and name HA
) 3.8 0.8 0.8 volume=74691276.625 peak=2140 ppm1=2.452 ppm2=4.000
assign ( resid 90 and name HA
)
( resid 84 and name HB2
) 3.4 0.7 0.7 volume=166025537.750 peak=2141 ppm1=3.996 ppm2=2.294
assign ( resid 90 and name HB3
)
( resid 90 and name HA
) 3.5 0.7 0.7 volume=124906088.000 peak=2142 ppm1=2.155 ppm2=4.011
assign ( resid 90 and name HA
)
( resid 90 and name HB2
) 3.4 0.7 0.7 volume=177987575.500 peak=2143 ppm1=3.996 ppm2=1.914
assign ( resid 90 and name HA
)
( resid 94 and name HD1#
) 3.8 0.8 0.8 volume=90357483.625 peak=2145 ppm1=3.990 ppm2=0.714
assign ( resid 90 and name HA
)
( resid 90 and name HD2#
) 2.8 0.6 0.6 volume=547622232.000 peak=2146 ppm1=3.995 ppm2=0.960
assign ( resid 90 and name HB3
)
( resid 90 and name HB2
) 3.2 0.6 0.6 volume=254350035.500 peak=2147 ppm1=2.155 ppm2=1.914
assign ( resid 13 and name HB3
)
( resid 21 and name HG3
) 4.2 0.8 0.8 volume=47629931.750 peak=2149 ppm1=1.918 ppm2=2.299
assign ( resid 51 and name HZ
)
( resid 90 and name HB2
) 4.2 0.8 0.8 volume=49990513.062 peak=2152 ppm1=6.829 ppm2=1.933
assign ( resid 90 and name HB3
)
( resid 91 and name H
) 4.1 0.8 0.8 volume=53780780.875 peak=2153 ppm1=2.153 ppm2=8.881
assign ( resid 90 and name HB3
)
( resid 90 and name H
) 3.5 0.7 0.7 volume=156853436.250 peak=2154 ppm1=2.155 ppm2=8.760
assign ( resid 90 and name HB2
)
( resid 90 and name H
) 3.5 0.7 0.7 volume=145608466.250 peak=2155 ppm1=1.913 ppm2=8.761
assign ( resid 90 and name HG
)
( resid 90 and name HB3
) 3.7 0.7 0.7 volume=100505729.500 peak=2156 ppm1=1.576 ppm2=2.156
assign ( resid 90 and name HG
)
( resid 90 and name HA
) 3.9 0.8 0.8 volume=74853125.625 peak=2157 ppm1=1.573 ppm2=4.004
assign ( resid 90 and name HD2#
)
( resid 90 and name HB2
) 3.1 0.6 0.6 volume=317972437.500 peak=2158 ppm1=0.931 ppm2=1.915
assign ( resid 90 and name HD2#
)
( resid 90 and name HB3
) 3.1 0.6 0.6 volume=302475703.500 peak=2159 ppm1=0.934 ppm2=2.165
assign ( resid 90 and name HD2#
)
( resid 51 and name HZ
) 3.1 0.6 0.6 volume=336722529.500 peak=2161 ppm1=0.931 ppm2=6.832
assign ( resid 90 and name HD2#
)
( resid 51 and name HD#
) 4.3 0.9 0.9 volume=43326294.219 peak=2162 ppm1=0.934 ppm2=7.114
assign ( resid 90 and name HD2#
)
( resid 51 and name HE#
) 3.2 0.6 0.6 volume=254162068.500 peak=2163 ppm1=0.934 ppm2=7.561
assign ( resid 90 and name HD2#
)
( resid 90 and name H
) 3.7 0.7 0.7 volume=98079852.000 peak=2164 ppm1=0.936 ppm2=8.763
assign ( resid 90 and name HD2#
)
( resid 91 and name HA
) 3.9 0.8 0.8 volume=80407412.125 peak=2166 ppm1=0.936 ppm2=3.463
assign ( resid 90 and name HD2#
)
( resid 90 and name HG
) 2.7 0.5 0.5 volume=735093426.000 peak=2167 ppm1=0.933 ppm2=1.578
assign ( resid 90 and name HD2#
)
( resid 94 and name HD1#
) 2.5 0.5 0.5 volume=1068588501.000 peak=2168 ppm1=0.933 ppm2=0.722
assign ( resid 90 and name HD2#
)
( resid 64 and name HD1#
) 3.0 0.6 0.6 volume=159359926.500 peak=2169 ppm1=0.932 ppm2=0.393
assign ( resid 91 and name HB
)
( resid 91 and name HA
) 4.1 0.8 0.8 volume=58378629.750 peak=2172 ppm1=4.334 ppm2=3.452
assign ( resid 91 and name HA
)
( resid 91 and name H
) 3.6 0.7 0.7 volume=127837706.000 peak=2173 ppm1=3.454 ppm2=8.877
assign ( resid 91 and name HA
)
( resid 94 and name H
) 3.9 0.8 0.8 volume=76538654.375 peak=2174 ppm1=3.454 ppm2=8.518
assign ( resid 91 and name HA
)
( resid 92 and name H
) 4.1 0.8 0.8 volume=56282914.250 peak=2175 ppm1=3.452 ppm2=7.817
assign ( resid 91 and name HA
)
( resid 94 and name HB2
) 3.5 0.7 0.7 volume=145939796.250 peak=2176 ppm1=3.454 ppm2=1.947
assign ( resid 91 and name HA
)
( resid 90 and name HB3
) 4.4 0.9 0.9 volume=38252158.438 peak=2177 ppm1=3.457 ppm2=2.166
assign ( resid 91 and name HA
)
( resid 94 and name HG
) 3.9 0.8 0.8 volume=77715713.375 peak=2178 ppm1=3.455 ppm2=2.034
assign ( resid 91 and name HA
)
( resid 90 and name HG
) 4.3 0.9 0.9 volume=43555092.438 peak=2179 ppm1=3.458 ppm2=1.577
assign ( resid 91 and name HA
)
( resid 25 and name HB3
) 4.2 0.8 0.8 volume=51109192.062 peak=2180 ppm1=3.454 ppm2=1.245
assign ( resid 91 and name HA
)
( resid 94 and name HB3
) 3.9 0.8 0.8 volume=75996329.312 peak=2181 ppm1=3.455 ppm2=1.123
assign ( resid 91 and name HA
)
( resid 94 and name HD1#
) 3.2 0.6 0.6 volume=245887566.500 peak=2183 ppm1=3.456 ppm2=0.716
assign ( resid 91 and name HA
)
( resid 25 and name HD1#
) 3.8 0.8 0.8 volume=92245864.750 peak=2184 ppm1=3.454 ppm2=0.791
assign ( resid 91 and name HG2#
)
( resid 91 and name HA
) 2.7 0.5 0.5 volume=716286325.000 peak=2185 ppm1=1.011 ppm2=3.445
assign ( resid 29 and name HG2#
)
( resid 28 and name HD2#
) 3.0 0.6 0.6 volume=362701926.000 peak=2187 ppm1=1.011 ppm2=0.794
assign ( resid 91 and name HG2#
)
( resid 94 and name HD1#
) 3.0 0.6 0.6 volume=358387648.000 peak=2188 ppm1=1.011 ppm2=0.738
assign ( resid 92 and name HA
)
( resid 91 and name HG2#
) 3.8 0.8 0.8 volume=86815489.875 peak=2189 ppm1=3.903 ppm2=1.013
assign ( resid 92 and name HA
)
( resid 25 and name HD1#
) 4.1 0.8 0.8 volume=54218640.625 peak=2190 ppm1=3.904 ppm2=0.795
assign ( resid 92 and name HA
)
( resid 92 and name HB2
) 3.2 0.6 0.6 volume=268972998.000 peak=2192 ppm1=3.906 ppm2=1.975
assign ( resid 95 and name HB2
)
( resid 92 and name HA
) 3.4 0.7 0.7 volume=169655790.500 peak=2194 ppm1=2.911 ppm2=3.906
assign ( resid 92 and name HA
)
( resid 96 and name H
) 4.2 0.8 0.8 volume=51988794.562 peak=2195 ppm1=3.903 ppm2=8.232
assign ( resid 92 and name HA
)
( resid 95 and name H
) 3.6 0.7 0.7 volume=122161248.750 peak=2196 ppm1=3.904 ppm2=8.556
assign ( resid 92 and name HB3
)
( resid 92 and name HA
) 2.8 0.6 0.6 volume=392259895.000 peak=2198 ppm1=2.079 ppm2=3.902
assign ( resid 92 and name HB2
)
( resid 89 and name HA
) 3.4 0.7 0.7 volume=98265471.375 peak=2199 ppm1=1.976 ppm2=4.086
assign ( resid 92 and name HB2
)
( resid 92 and name HB3
) 2.4 0.5 0.5 volume=1476647856.000 peak=2200 ppm1=1.978 ppm2=2.082
assign ( resid 92 and name HB3
)
( resid 92 and name H
) 3.0 0.6 0.6 volume=373622240.500 peak=2201 ppm1=2.071 ppm2=7.815
assign ( resid 92 and name HB2
)
( resid 92 and name H
) 3.1 0.6 0.6 volume=288929125.500 peak=2202 ppm1=1.977 ppm2=7.816
assign ( resid 92 and name HG2
)
( resid 92 and name HA
) 3.3 0.7 0.7 volume=226558743.500 peak=2203 ppm1=2.152 ppm2=3.903
assign ( resid 92 and name HG3
)
( resid 92 and name HA
) 3.3 0.7 0.7 volume=209649553.500 peak=2204 ppm1=2.085 ppm2=3.904
assign ( resid 92 and name HG2
)
( resid 91 and name HB
) 4.5 0.9 0.9 volume=34888755.594 peak=2205 ppm1=2.152 ppm2=4.345
assign ( resid 92 and name HG2
)
( resid 88 and name HA
) 4.5 0.9 0.9 volume=33764630.562 peak=2207 ppm1=2.147 ppm2=4.195
assign ( resid 100 and name HG2
)
( resid 99 and name HB
) 4.5 0.9 0.9 volume=32245463.531 peak=2208 ppm1=2.083 ppm2=4.191
assign ( resid 92 and name HG2
)
( resid 89 and name HA
) 3.7 0.7 0.7 volume=106074881.875 peak=2209 ppm1=2.151 ppm2=4.089
assign ( resid 92 and name HG3
)
( resid 89 and name HA
) 3.8 0.8 0.8 volume=95513332.250 peak=2210 ppm1=2.085 ppm2=4.087
assign ( resid 92 and name HG2
)
( resid 92 and name H
) 3.1 0.6 0.6 volume=312081874.000 peak=2211 ppm1=2.152 ppm2=7.821
assign ( resid 92 and name HG3
)
( resid 92 and name H
) 3.1 0.6 0.6 volume=296541296.500 peak=2212 ppm1=2.085 ppm2=7.820
assign ( resid 92 and name HG2
)
( resid 92 and name HB2
) 2.7 0.5 0.5 volume=640311127.000 peak=2213 ppm1=2.152 ppm2=1.969
assign ( resid 92 and name HG3
)
( resid 92 and name HB2
) 2.8 0.6 0.6 volume=595633879.000 peak=2214 ppm1=2.085 ppm2=1.969
assign ( resid 92 and name HG3
)
( resid 91 and name HG2#
) 4.4 0.9 0.9 volume=38982216.875 peak=2215 ppm1=2.093 ppm2=1.013
assign ( resid 92 and name HG2
)
( resid 91 and name HG2#
) 4.3 0.9 0.9 volume=44468610.969 peak=2216 ppm1=2.153 ppm2=1.007
assign ( resid 93 and name HA
)
( resid 96 and name HG2#
) 3.5 0.7 0.7 volume=138379259.750 peak=2217 ppm1=4.179 ppm2=1.142
assign ( resid 93 and name HA
)
( resid 92 and name HB3
) 4.3 0.9 0.9 volume=46041774.938 peak=2218 ppm1=4.183 ppm2=2.080
assign ( resid 93 and name HA
)
( resid 90 and name HA
) 4.1 0.8 0.8 volume=61576613.375 peak=2221 ppm1=4.173 ppm2=3.983
assign ( resid 93 and name HA
)
( resid 94 and name H
) 3.8 0.8 0.8 volume=86336999.250 peak=2222 ppm1=4.179 ppm2=8.510
assign ( resid 93 and name HA
)
( resid 96 and name H
) 3.9 0.8 0.8 volume=81101657.375 peak=2223 ppm1=4.178 ppm2=8.230
assign ( resid 93 and name HA
)
( resid 93 and name H
) 3.2 0.6 0.6 volume=260650406.000 peak=2224 ppm1=4.180 ppm2=7.795
assign ( resid 94 and name HA
)
( resid 94 and name H
) 3.4 0.7 0.7 volume=174547722.750 peak=2225 ppm1=3.489 ppm2=8.513
assign ( resid 94 and name HA
)
( resid 98 and name H
) 4.3 0.9 0.9 volume=40986127.562 peak=2226 ppm1=3.490 ppm2=8.039
assign ( resid 94 and name HA
)
( resid 97 and name H
) 3.8 0.8 0.8 volume=90055335.125 peak=2227 ppm1=3.491 ppm2=7.768
assign ( resid 94 and name HA
)
( resid 93 and name HD2
) 4.5 0.9 0.9 volume=33682666.750 peak=2228 ppm1=3.487 ppm2=5.984
assign ( resid 94 and name HA
)
( resid 93 and name HA
) 4.3 0.9 0.9 volume=41671358.438 peak=2229 ppm1=3.494 ppm2=4.178
assign ( resid 97 and name HA
)
( resid 94 and name HA
) 4.3 0.9 0.9 volume=35283148.344 peak=2230 ppm1=3.907 ppm2=3.480
assign ( resid 94 and name HB2
)
( resid 94 and name HA
) 3.4 0.7 0.7 volume=189754304.500 peak=2231 ppm1=1.950 ppm2=3.476
assign ( resid 94 and name HA
)
( resid 97 and name HB2
) 3.6 0.7 0.7 volume=125215760.000 peak=2232 ppm1=3.491 ppm2=1.646
assign ( resid 94 and name HA
)
( resid 74 and name HB2
) 4.1 0.8 0.8 volume=57869571.875 peak=2235 ppm1=3.493 ppm2=0.991
assign ( resid 94 and name HA
)
( resid 94 and name HD1#
) 2.6 0.5 0.5 volume=866985672.000 peak=2236 ppm1=3.490 ppm2=0.717
assign ( resid 94 and name HB3
)
( resid 94 and name HD1#
) 2.8 0.6 0.6 volume=618098389.000 peak=2238 ppm1=1.128 ppm2=0.722
assign ( resid 94 and name HB2
)
( resid 94 and name HD1#
) 2.7 0.5 0.5 volume=664545211.000 peak=2239 ppm1=1.952 ppm2=0.718
assign ( resid 94 and name HB2
)
( resid 94 and name HB3
) 2.9 0.6 0.6 volume=441100710.000 peak=2240 ppm1=1.950 ppm2=1.127
assign ( resid 94 and name HB3
)
( resid 94 and name H
) 3.7 0.7 0.7 volume=104000066.750 peak=2241 ppm1=1.124 ppm2=8.523
assign ( resid 95 and name HA
)
( resid 95 and name H
) 3.4 0.7 0.7 volume=178387828.500 peak=2242 ppm1=3.767 ppm2=8.560
assign ( resid 95 and name HA
)
( resid 96 and name H
) 4.1 0.8 0.8 volume=54441419.406 peak=2243 ppm1=3.763 ppm2=8.232
assign ( resid 95 and name HA
)
( resid 98 and name HB3
) 3.4 0.7 0.7 volume=163521308.500 peak=2247 ppm1=3.768 ppm2=1.668
assign ( resid 95 and name HA
)
( resid 25 and name HD1#
) 2.7 0.5 0.5 volume=683782718.000 peak=2248 ppm1=3.762 ppm2=0.788
assign ( resid 95 and name HB3
)
( resid 95 and name HB2
) 2.9 0.6 0.6 volume=461039863.000 peak=2250 ppm1=3.243 ppm2=2.911
assign ( resid 95 and name HB3
)
( resid 95 and name HA
) 3.3 0.7 0.7 volume=161787067.500 peak=2251 ppm1=3.244 ppm2=3.757
assign ( resid 95 and name HB2
)
( resid 95 and name HA
) 3.3 0.7 0.7 volume=190927225.000 peak=2252 ppm1=2.912 ppm2=3.760
assign ( resid 95 and name HB2
)
( resid 91 and name HG2#
) 4.0 0.8 0.8 volume=50404701.750 peak=2253 ppm1=2.911 ppm2=1.016
assign ( resid 92 and name HA
)
( resid 95 and name HB3
) 3.3 0.7 0.7 volume=159195915.750 peak=2254 ppm1=3.906 ppm2=3.243
assign ( resid 96 and name HA
)
( resid 97 and name H
) 3.9 0.8 0.8 volume=82380318.500 peak=2256 ppm1=3.614 ppm2=7.768
assign ( resid 96 and name HA
)
( resid 99 and name H
) 4.1 0.8 0.8 volume=55813906.375 peak=2257 ppm1=3.613 ppm2=7.411
assign ( resid 96 and name HA
)
( resid 96 and name H
) 3.3 0.7 0.7 volume=225169268.500 peak=2258 ppm1=3.613 ppm2=8.229
assign ( resid 96 and name HA
)
( resid 98 and name H
) 4.5 0.9 0.9 volume=30787438.500 peak=2259 ppm1=3.617 ppm2=8.037
assign ( resid 96 and name HB
)
( resid 96 and name HA
) 3.1 0.6 0.6 volume=304357949.500 peak=2262 ppm1=4.166 ppm2=3.613
assign ( resid 96 and name HB
)
( resid 96 and name HG2#
) 2.5 0.5 0.5 volume=1102379998.000 peak=2263 ppm1=4.167 ppm2=1.144
assign ( resid 96 and name HA
)
( resid 95 and name HB3
) 4.4 0.9 0.9 volume=36969319.938 peak=2264 ppm1=3.614 ppm2=3.244
assign ( resid 41 and name HG2#
)
( resid 40 and name HB2
) 4.0 0.8 0.8 volume=65011192.078 peak=2265 ppm1=1.148 ppm2=3.209
assign ( resid 97 and name HD2
)
( resid 97 and name HA
) 3.3 0.7 0.7 volume=198589780.000 peak=2267 ppm1=2.991 ppm2=3.906
assign ( resid 97 and name HD3
)
( resid 97 and name HA
) 3.5 0.7 0.7 volume=102084632.625 peak=2268 ppm1=2.770 ppm2=3.906
assign ( resid 97 and name HD3
)
( resid 97 and name HG3
) 3.0 0.6 0.6 volume=224827166.750 peak=2275 ppm1=2.770 ppm2=1.126
assign ( resid 97 and name HG3
)
( resid 94 and name HA
) 3.8 0.8 0.8 volume=84898885.625 peak=2276 ppm1=1.125 ppm2=3.485
assign ( resid 97 and name HG3
)
( resid 96 and name HB
) 3.9 0.8 0.8 volume=74861854.625 peak=2277 ppm1=1.129 ppm2=4.169
assign ( resid 97 and name HA
)
( resid 97 and name HG3
) 2.9 0.6 0.6 volume=278132225.500 peak=2278 ppm1=3.906 ppm2=1.130
assign ( resid 97 and name HG3
)
( resid 97 and name H
) 3.2 0.6 0.6 volume=272686414.000 peak=2279 ppm1=1.126 ppm2=7.762
assign ( resid 97 and name HG3
)
( resid 98 and name H
) 4.2 0.8 0.8 volume=52442231.203 peak=2280 ppm1=1.126 ppm2=8.048
assign ( resid 97 and name HD3
)
( resid 97 and name HD2
) 2.6 0.5 0.5 volume=859924141.836 peak=2282 ppm1=2.770 ppm2=2.988
assign ( resid 97 and name HD2
)
( resid 100 and name H
) 4.1 0.8 0.8 volume=55439881.375 peak=2285 ppm1=2.995 ppm2=7.696
assign ( resid 97 and name HD2
)
( resid 97 and name H
) 4.0 0.8 0.8 volume=66319396.000 peak=2286 ppm1=2.987 ppm2=7.765
assign ( resid 97 and name HD3
)
( resid 97 and name HB2
) 3.7 0.7 0.7 volume=98039787.000 peak=2287 ppm1=2.771 ppm2=1.641
assign ( resid 97 and name HB2
)
( resid 97 and name HD2
) 3.8 0.8 0.8 volume=89770430.188 peak=2291 ppm1=1.637 ppm2=2.995
assign ( resid 97 and name HD2
)
( resid 97 and name HG3
) 2.9 0.6 0.6 volume=459015034.000 peak=2292 ppm1=2.989 ppm2=1.127
assign ( resid 98 and name HA
)
( resid 98 and name H
) 3.3 0.7 0.7 volume=207021942.250 peak=2293 ppm1=4.193 ppm2=8.043
assign ( resid 98 and name HA
)
( resid 99 and name H
) 3.9 0.8 0.8 volume=73667385.875 peak=2294 ppm1=4.194 ppm2=7.410
assign ( resid 98 and name HA
)
( resid 98 and name HB2
) 3.1 0.6 0.6 volume=306539151.000 peak=2295 ppm1=4.194 ppm2=1.394
assign ( resid 98 and name HA
)
( resid 98 and name HD1#
) 2.5 0.5 0.5 volume=889867172.000 peak=2297 ppm1=4.193 ppm2=0.876
assign ( resid 98 and name HD2#
)
( resid 98 and name HA
) 3.1 0.6 0.6 volume=309217794.500 peak=2298 ppm1=0.744 ppm2=4.195
assign ( resid 98 and name HD1#
)
( resid 98 and name H
) 3.3 0.7 0.7 volume=204491896.750 peak=2299 ppm1=0.875 ppm2=8.050
assign ( resid 98 and name HD1#
)
( resid 94 and name HA
) 4.3 0.9 0.9 volume=41869144.273 peak=2300 ppm1=0.867 ppm2=3.496
assign ( resid 98 and name HD1#
)
( resid 95 and name HB2
) 4.3 0.9 0.9 volume=43843529.453 peak=2301 ppm1=0.866 ppm2=2.940
assign ( resid 54 and name HD1#
)
( resid 64 and name HD1#
) 4.0 0.8 0.8 volume=65368177.598 peak=2303 ppm1=0.871 ppm2=0.431
assign ( resid 99 and name HA
)
( resid 99 and name HB
) 2.8 0.6 0.6 volume=541185377.000 peak=2305 ppm1=4.386 ppm2=4.185
assign ( resid 99 and name HB
)
( resid 99 and name H
) 3.7 0.7 0.7 volume=101885239.250 peak=2306 ppm1=4.188 ppm2=7.414
assign ( resid 99 and name HA
)
( resid 98 and name H
) 4.4 0.9 0.9 volume=35966772.172 peak=2308 ppm1=4.394 ppm2=8.052
assign ( resid 99 and name HA
)
( resid 99 and name H
) 3.3 0.7 0.7 volume=204505139.000 peak=2309 ppm1=4.387 ppm2=7.411
assign ( resid 99 and name HA
)
( resid 98 and name HD2#
) 4.3 0.9 0.9 volume=41781030.938 peak=2311 ppm1=4.389 ppm2=0.774
assign ( resid 99 and name HG2#
)
( resid 98 and name HB3
) 3.3 0.7 0.7 volume=217375893.500 peak=2312 ppm1=0.910 ppm2=1.669
assign ( resid 100 and name HG3
)
( resid 99 and name HG2#
) 3.8 0.8 0.8 volume=93209439.125 peak=2313 ppm1=2.325 ppm2=0.911
assign ( resid 99 and name HG2#
)
( resid 101 and name HB2
) 3.4 0.7 0.7 volume=164342547.750 peak=2314 ppm1=0.909 ppm2=3.760
assign ( resid 99 and name HB
)
( resid 99 and name HG2#
) 2.6 0.5 0.5 volume=876016091.000 peak=2315 ppm1=4.188 ppm2=0.908
assign ( resid 99 and name HA
)
( resid 99 and name HG2#
) 2.7 0.5 0.5 volume=735127299.000 peak=2316 ppm1=4.387 ppm2=0.910
assign ( resid 99 and name HG2#
)
( resid 95 and name HD2
) 3.2 0.6 0.6 volume=240248043.500 peak=2317 ppm1=0.910 ppm2=6.543
assign ( resid 99 and name HG2#
)
( resid 99 and name H
) 3.1 0.6 0.6 volume=279379090.250 peak=2318 ppm1=0.909 ppm2=7.409
assign ( resid 99 and name HG2#
)
( resid 100 and name H
) 3.6 0.7 0.7 volume=120715655.250 peak=2319 ppm1=0.911 ppm2=7.696
assign ( resid 100 and name HB3
)
( resid 96 and name HG2#
) 3.6 0.7 0.7 volume=123019994.500 peak=2320 ppm1=1.994 ppm2=1.145
assign ( resid 100 and name HB2
)
( resid 96 and name HG2#
) 3.7 0.7 0.7 volume=99624049.625 peak=2321 ppm1=2.065 ppm2=1.146
assign ( resid 100 and name HB3
)
( resid 100 and name HG3
) 2.6 0.5 0.5 volume=838966900.000 peak=2323 ppm1=1.994 ppm2=2.321
assign ( resid 100 and name HB2
)
( resid 100 and name H
) 3.3 0.7 0.7 volume=205240691.750 peak=2324 ppm1=2.065 ppm2=7.689
assign ( resid 100 and name HB2
)
( resid 100 and name HG3
) 2.6 0.5 0.5 volume=805178585.000 peak=2325 ppm1=2.061 ppm2=2.324
assign ( resid 100 and name HG3
)
( resid 96 and name HG2#
) 3.4 0.7 0.7 volume=162841434.750 peak=2326 ppm1=2.317 ppm2=1.145
assign ( resid 100 and name HG3
)
( resid 97 and name HA
) 3.9 0.8 0.8 volume=82020499.375 peak=2328 ppm1=2.313 ppm2=3.898
assign ( resid 100 and name HG3
)
( resid 96 and name HA
) 4.4 0.9 0.9 volume=39505579.688 peak=2329 ppm1=2.317 ppm2=3.629
assign ( resid 101 and name HA
)
( resid 101 and name HB2
) 2.4 0.5 0.5 volume=1474295082.000 peak=2332 ppm1=4.362 ppm2=3.784
assign ( resid 101 and name HB2
)
( resid 100 and name H
) 4.5 0.9 0.9 volume=34010842.705 peak=2333 ppm1=3.793 ppm2=7.714
assign ( resid 101 and name HB2
)
( resid 100 and name HG2
or resid 100 and name HB2
) 4.7 0.9 0.9 volume=26476241.699 peak=2334 ppm1=3.791 ppm2=2.055
assign ( resid 102 and name HA
)
( resid 101 and name H
) 4.6 0.9 0.9 volume=29734278.598 peak=2336 ppm1=4.412 ppm2=8.343
assign ( resid 102 and name HB3
)
( resid 102 and name HB2
) 1.8 0.1 0.4 volume=8033629984.000 peak=2338 ppm1=3.124 ppm2=2.990
assign ( resid 102 and name HB2
)
( resid 102 and name HA
) 2.9 0.6 0.6 volume=431842171.000 peak=2340 ppm1=2.990 ppm2=4.400
assign ( resid 81 and name HG12
)
( resid 81 and name HD1#
) 2.8 0.6 0.6 volume=96248002.125 peak=2343 ppm1=1.031 ppm2=0.131
assign ( resid 64 and name HD1#
)
( resid 81 and name HG2#
) 3.3 0.7 0.7 volume=201555435.549 peak=2344 ppm1=0.389 ppm2=0.265
assign ( resid 90 and name HD1#
)
( resid 81 and name HG2#
) 3.5 0.7 0.7 volume=80794757.500 peak=2345 ppm1=0.835 ppm2=0.242
assign ( resid 56 and name HG12
)
( resid 81 and name HG2#
) 4.2 0.8 0.8 volume=51520390.936 peak=2346 ppm1=1.327 ppm2=0.229
assign ( resid 4 and name HB3
)
( resid 5 and name H
) 4.5 0.9 0.9 volume=30777407.969 peak=2347 ppm1=3.954 ppm2=8.435
assign ( resid 5 and name HB#
)
( resid 4 and name HB2
) 3.8 0.8 0.8 volume=91640574.000 peak=2349 ppm1=1.334 ppm2=3.813
assign ( resid 5 and name HB#
)
( resid 8 and name HB2
) 3.8 0.8 0.8 volume=96205723.227 peak=2350 ppm1=1.338 ppm2=2.739
assign ( resid 5 and name HB#
)
( resid 5 and name H
) 3.6 0.7 0.7 volume=133575779.750 peak=2352 ppm1=1.335 ppm2=8.449
assign ( resid 6 and name HA
)
( resid 7 and name HG2#
) 4.8 1.0 1.0 volume=21177841.798 peak=2353 ppm1=4.199 ppm2=1.152
assign ( resid 6 and name HB#
)
( resid 9 and name HB3
) 4.1 0.8 0.8 volume=55393061.312 peak=2354 ppm1=1.277 ppm2=1.877
assign ( resid 67 and name HB
)
( resid 36 and name HG1#
) 3.9 0.8 0.8 volume=83083287.500 peak=2355 ppm1=4.231 ppm2=0.895
assign ( resid 33 and name HG2#
)
( resid 36 and name HB
) 3.8 0.8 0.8 volume=95791009.000 peak=2356 ppm1=1.179 ppm2=2.112
assign ( resid 8 and name HA
)
( resid 12 and name H
) 4.3 0.9 0.9 volume=44471044.875 peak=2357 ppm1=4.446 ppm2=7.930
assign ( resid 8 and name HB3
)
( resid 11 and name H
) 4.5 0.9 0.9 volume=35051851.625 peak=2358 ppm1=2.640 ppm2=7.783
assign ( resid 9 and name HD2#
)
( resid 9 and name HA
) 2.9 0.6 0.6 volume=418636656.500 peak=2360 ppm1=0.844 ppm2=4.053
assign ( resid 9 and name HD2#
)
( resid 10 and name H
) 3.2 0.6 0.6 volume=240559489.250 peak=2362 ppm1=0.846 ppm2=8.142
assign ( resid 9 and name HD2#
)
( resid 6 and name HA
) 3.8 0.8 0.8 volume=89060803.227 peak=2363 ppm1=0.845 ppm2=4.205
assign ( resid 9 and name HD2#
)
( resid 9 and name HB3
) 2.8 0.6 0.6 volume=589532768.000 peak=2364 ppm1=0.844 ppm2=1.890
assign ( resid 9 and name HD2#
)
( resid 9 and name HG
) 2.4 0.5 0.5 volume=1432048000.000 peak=2365 ppm1=0.843 ppm2=1.481
assign ( resid 9 and name HD2#
)
( resid 94 and name HB3
) 2.8 0.6 0.6 volume=550272686.500 peak=2366 ppm1=0.844 ppm2=1.119
assign ( resid 9 and name HD2#
)
( resid 94 and name HD2#
) 2.4 0.5 0.5 volume=1426640658.000 peak=2367 ppm1=0.842 ppm2=0.733
assign ( resid 64 and name HD1#
)
( resid 90 and name HD1#
) 3.6 0.7 0.7 volume=110151689.875 peak=2368 ppm1=0.389 ppm2=0.856
assign ( resid 50 and name HB#
)
( resid 55 and name H
or resid 86 and name H
) 4.2 0.8 0.8 volume=47868346.688 peak=2370 ppm1=1.473 ppm2=7.416
assign ( resid 13 and name HD2#
)
( resid 95 and name HD2
) 4.0 0.8 0.8 volume=61798228.312 peak=2376 ppm1=0.750 ppm2=6.546
assign ( resid 13 and name HD2#
)
( resid 13 and name H
) 3.0 0.6 0.6 volume=358482210.500 peak=2377 ppm1=0.755 ppm2=8.131
assign ( resid 13 and name HD2#
)
( resid 14 and name H
) 3.8 0.8 0.8 volume=94532491.562 peak=2378 ppm1=0.754 ppm2=7.519
assign ( resid 13 and name HD2#
)
( resid 14 and name HA
) 4.2 0.8 0.8 volume=46555894.938 peak=2379 ppm1=0.750 ppm2=4.376
assign ( resid 13 and name HD2#
)
( resid 11 and name HB#
) 2.9 0.6 0.6 volume=454650869.000 peak=2381 ppm1=0.753 ppm2=1.465
assign ( resid 13 and name HD2#
)
( resid 24 and name HG2#
) 3.5 0.7 0.7 volume=150379132.000 peak=2382 ppm1=0.754 ppm2=1.035
assign ( resid 98 and name HD2#
)
( resid 95 and name HD2
) 4.0 0.8 0.8 volume=67243875.875 peak=2383 ppm1=0.747 ppm2=6.544
assign ( resid 93 and name HD2
)
( resid 94 and name HD1#
) 3.2 0.6 0.6 volume=243945760.250 peak=2384 ppm1=5.986 ppm2=0.716
assign ( resid 66 and name HA
)
( resid 62 and name HD2#
) 3.9 0.8 0.8 volume=82118019.312 peak=2385 ppm1=4.373 ppm2=0.929
assign ( resid 15 and name HA3
)
( resid 14 and name HB2
) 4.5 0.9 0.9 volume=33715644.250 peak=2386 ppm1=3.980 ppm2=2.825
assign ( resid 51 and name HE#
)
( resid 51 and name HZ
) 3.2 0.6 0.6 volume=266934962.000 peak=2387 ppm1=7.563 ppm2=6.834
assign ( resid 51 and name HZ
)
( resid 51 and name HD#
) 4.2 0.8 0.8 volume=47463690.938 peak=2388 ppm1=6.836 ppm2=7.082
assign ( resid 82 and name HD#
)
( resid 79 and name HG2#
) 3.5 0.7 0.7 volume=94158502.188 peak=2389 ppm1=7.107 ppm2=1.130
assign ( resid 95 and name HD2
)
( resid 22 and name H
) 4.5 0.9 0.9 volume=32067136.844 peak=2390 ppm1=6.549 ppm2=8.026
assign ( resid 84 and name HD2
)
( resid 84 and name H
) 4.4 0.9 0.9 volume=40069840.969 peak=2391 ppm1=6.713 ppm2=7.320
assign ( resid 70 and name HD2
)
( resid 70 and name HB3
) 3.7 0.7 0.7 volume=103118552.500 peak=2392 ppm1=6.968 ppm2=3.229
assign ( resid 54 and name HG
)
( resid 51 and name HD#
) 4.3 0.9 0.9 volume=45029672.812 peak=2393 ppm1=1.630 ppm2=7.100
assign ( resid 54 and name HD2#
)
( resid 54 and name HG
) 2.6 0.5 0.5 volume=984372646.000 peak=2394 ppm1=0.706 ppm2=1.629
assign ( resid 74 and name HG
)
( resid 74 and name HD2#
) 3.7 0.7 0.7 volume=109835350.375 peak=2396 ppm1=1.534 ppm2=0.701
assign ( resid 74 and name HG
)
( resid 74 and name HB2
) 3.7 0.7 0.7 volume=102585406.500 peak=2397 ppm1=1.524 ppm2=0.998
assign ( resid 74 and name HG
)
( resid 76 and name H
) 4.1 0.8 0.8 volume=60342080.875 peak=2398 ppm1=1.534 ppm2=7.861
assign ( resid 25 and name HG
)
( resid 25 and name HD1#
) 2.6 0.5 0.5 volume=987339834.000 peak=2399 ppm1=1.786 ppm2=0.768
assign ( resid 25 and name HG
)
( resid 22 and name HA
) 4.3 0.9 0.9 volume=44643246.875 peak=2400 ppm1=1.782 ppm2=3.405
assign ( resid 25 and name HG
)
( resid 21 and name HA
) 4.2 0.8 0.8 volume=46581867.812 peak=2401 ppm1=1.790 ppm2=3.739
assign ( resid 25 and name HG
)
( resid 24 and name HB
) 4.0 0.8 0.8 volume=70057362.375 peak=2402 ppm1=1.789 ppm2=4.188
assign ( resid 25 and name HG
)
( resid 25 and name HA
) 3.4 0.7 0.7 volume=174513540.000 peak=2403 ppm1=1.785 ppm2=4.075
assign ( resid 25 and name HG
)
( resid 24 and name H
) 4.4 0.9 0.9 volume=37481473.750 peak=2404 ppm1=1.779 ppm2=8.150
assign ( resid 1 and name HA2
)
( resid 2 and name HB#
) 4.3 0.9 0.9 volume=45419329.055 peak=2406 ppm1=3.751 ppm2=1.361
assign ( resid 65 and name HD3
)
( resid 65 and name HE
) 4.1 0.8 0.8 volume=58660525.625 peak=2407 ppm1=2.973 ppm2=6.800
assign ( resid 65 and name HD3
)
( resid 66 and name HA
) 4.2 0.8 0.8 volume=49266514.188 peak=2408 ppm1=2.976 ppm2=4.357
assign ( resid 65 and name HD2
)
( resid 66 and name HA
) 4.0 0.8 0.8 volume=70371315.125 peak=2409 ppm1=3.146 ppm2=4.334
assign ( resid 65 and name HD3
)
( resid 65 and name HD2
) 2.9 0.6 0.6 volume=437580257.000 peak=2410 ppm1=2.974 ppm2=3.145
assign ( resid 65 and name HD3
)
( resid 65 and name HB3
or resid 65 and name HB2
) 3.7 0.7 0.7 volume=105598671.875 peak=2412 ppm1=2.977 ppm2=2.067
assign ( resid 65 and name HD3
)
( resid 65 and name HB2
) 3.7 0.7 0.7 volume=99967190.000 peak=2413 ppm1=2.973 ppm2=2.000
assign ( resid 65 and name HD3
)
( resid 66 and name H
) 4.5 0.9 0.9 volume=34893944.781 peak=2414 ppm1=2.973 ppm2=8.801
assign ( resid 65 and name HD2
)
( resid 65 and name HE
) 4.3 0.9 0.9 volume=44333630.688 peak=2415 ppm1=3.147 ppm2=6.815
assign ( resid 16 and name HB3
)
( resid 16 and name HD2#
) 2.9 0.6 0.6 volume=422512668.000 peak=2421 ppm1=1.600 ppm2=0.769
assign ( resid 16 and name HD2#
)
( resid 15 and name HA2
) 3.8 0.8 0.8 volume=91717150.508 peak=2422 ppm1=0.784 ppm2=3.933
assign ( resid 37 and name HD2#
)
( resid 55 and name H
) 4.2 0.8 0.8 volume=50368368.625 peak=2423 ppm1=0.732 ppm2=7.419
assign ( resid 98 and name HD2#
)
( resid 10 and name HA
) 3.8 0.8 0.8 volume=87523051.359 peak=2424 ppm1=0.747 ppm2=3.882
assign ( resid 59 and name HD2#
)
( resid 60 and name H
) 3.9 0.8 0.8 volume=79855342.699 peak=2427 ppm1=0.934 ppm2=8.848
assign ( resid 59 and name HD2#
)
( resid 59 and name HB2
) 2.8 0.6 0.6 volume=606127169.000 peak=2428 ppm1=0.936 ppm2=1.961
assign ( resid 59 and name HD2#
)
( resid 59 and name HB3
) 2.4 0.5 0.5 volume=1371246244.000 peak=2429 ppm1=0.935 ppm2=1.663
assign ( resid 28 and name HD2#
)
( resid 29 and name HG1#
) 2.7 0.5 0.5 volume=729540135.875 peak=2430 ppm1=0.802 ppm2=1.009
assign ( resid 90 and name HD1#
)
( resid 90 and name HA
) 3.5 0.7 0.7 volume=154085198.000 peak=2431 ppm1=0.832 ppm2=3.992
assign ( resid 90 and name HD1#
)
( resid 90 and name H
) 4.2 0.8 0.8 volume=51425611.625 peak=2432 ppm1=0.841 ppm2=8.763
assign ( resid 90 and name HD1#
)
( resid 92 and name H
) 4.0 0.8 0.8 volume=69611456.062 peak=2433 ppm1=0.837 ppm2=7.842
assign ( resid 13 and name HG
)
( resid 9 and name HG
) 3.7 0.7 0.7 volume=102396471.500 peak=2434 ppm1=1.964 ppm2=1.475
assign ( resid 13 and name HG
)
( resid 13 and name HB2
) 3.6 0.7 0.7 volume=135661089.000 peak=2435 ppm1=1.963 ppm2=1.326
assign ( resid 13 and name HG
)
( resid 13 and name HD2#
) 2.4 0.5 0.5 volume=1317180290.000 peak=2436 ppm1=1.963 ppm2=0.753
assign ( resid 13 and name HG
)
( resid 9 and name HD1#
) 3.2 0.6 0.6 volume=259202388.000 peak=2437 ppm1=1.962 ppm2=0.834
assign ( resid 13 and name HG
)
( resid 13 and name HA
) 3.6 0.7 0.7 volume=122361399.500 peak=2438 ppm1=1.964 ppm2=4.079
assign ( resid 13 and name HG
)
( resid 10 and name HA
) 4.0 0.8 0.8 volume=66691394.000 peak=2439 ppm1=1.964 ppm2=3.884
assign ( resid 13 and name HG
)
( resid 14 and name H
) 4.2 0.8 0.8 volume=52213216.375 peak=2440 ppm1=1.966 ppm2=7.530
assign ( resid 13 and name HG
)
( resid 13 and name H
) 3.2 0.6 0.6 volume=258235839.000 peak=2441 ppm1=1.963 ppm2=8.131
assign ( resid 13 and name HG
)
( resid 25 and name H
) 4.4 0.9 0.9 volume=36778324.062 peak=2442 ppm1=1.964 ppm2=7.923
assign ( resid 16 and name HB3
)
( resid 16 and name H
) 3.5 0.7 0.7 volume=150205743.000 peak=2443 ppm1=1.605 ppm2=7.350
assign ( resid 25 and name HG
)
( resid 24 and name HG2#
) 3.4 0.7 0.7 volume=187982336.000 peak=2446 ppm1=1.787 ppm2=1.018
assign ( resid 90 and name HG
)
( resid 90 and name H
) 4.4 0.9 0.9 volume=39642959.000 peak=2447 ppm1=1.581 ppm2=8.756
assign ( resid 90 and name HD2#
)
( resid 81 and name HG12
) 2.8 0.6 0.6 volume=607460734.000 peak=2448 ppm1=0.932 ppm2=1.043
assign ( resid 90 and name HD2#
)
( resid 93 and name HA
) 4.8 1.0 1.0 volume=23565767.729 peak=2449 ppm1=0.936 ppm2=4.195
assign ( resid 61 and name HB#
)
( resid 81 and name H
) 4.0 0.8 0.8 volume=65761516.500 peak=2452 ppm1=1.185 ppm2=8.074
assign ( resid 82 and name HE#
)
( resid 61 and name HB#
) 3.6 0.7 0.7 volume=128356585.500 peak=2453 ppm1=7.227 ppm2=1.175
assign ( resid 32 and name HB#
)
( resid 28 and name H
) 4.1 0.8 0.8 volume=53375173.062 peak=2454 ppm1=1.371 ppm2=7.480
assign ( resid 30 and name HB#
)
( resid 42 and name HB3
) 3.0 0.6 0.6 volume=359473909.000 peak=2455 ppm1=1.590 ppm2=2.036
assign ( resid 81 and name HG2#
)
( resid 56 and name HG13
) 3.6 0.7 0.7 volume=132580556.000 peak=2457 ppm1=0.236 ppm2=1.440
assign ( resid 81 and name HG2#
)
( resid 64 and name HD2#
) 3.5 0.7 0.7 volume=150352681.250 peak=2458 ppm1=0.238 ppm2=0.730
assign ( resid 45 and name HG2#
)
( resid 34 and name HB#
) 3.3 0.7 0.7 volume=208323338.000 peak=2459 ppm1=0.712 ppm2=1.303
assign ( resid 45 and name HD1#
)
( resid 54 and name HB3
) 3.6 0.7 0.7 volume=119834066.000 peak=2460 ppm1=0.674 ppm2=2.033
assign ( resid 30 and name HB#
)
( resid 29 and name HB
) 3.3 0.7 0.7 volume=226919804.125 peak=2461 ppm1=1.589 ppm2=2.175
assign ( resid 49 and name HG2#
)
( resid 50 and name HB#
) 3.2 0.6 0.6 volume=260508670.000 peak=2462 ppm1=1.291 ppm2=1.488
assign ( resid 72 and name HG2#
)
( resid 25 and name HG
) 4.3 0.9 0.9 volume=41402607.680 peak=2463 ppm1=1.126 ppm2=1.805
assign ( resid 36 and name HG1#
)
( resid 64 and name HB3
) 3.5 0.7 0.7 volume=136890489.500 peak=2465 ppm1=0.909 ppm2=1.749
assign ( resid 55 and name HA2
)
( resid 56 and name HB
) 4.4 0.9 0.9 volume=39962632.688 peak=2466 ppm1=3.678 ppm2=1.657
assign ( resid 47 and name HD2
)
( resid 48 and name HA
) 4.0 0.8 0.8 volume=66641244.688 peak=2467 ppm1=3.754 ppm2=4.365
assign ( resid 47 and name HD3
)
( resid 47 and name HB3
) 3.9 0.8 0.8 volume=78916111.875 peak=2468 ppm1=3.989 ppm2=2.357
assign ( resid 47 and name HD2
)
( resid 47 and name HB3
) 3.7 0.7 0.7 volume=98040445.375 peak=2469 ppm1=3.757 ppm2=2.357
assign ( resid 47 and name HG2
)
( resid 47 and name HD2
) 2.9 0.6 0.6 volume=466864358.000 peak=2471 ppm1=2.010 ppm2=3.759
assign ( resid 42 and name HD2
)
( resid 42 and name HG3
) 2.7 0.5 0.5 volume=738834146.000 peak=2472 ppm1=3.865 ppm2=2.066
assign ( resid 91 and name HB
)
( resid 26 and name HB#
) 4.3 0.9 0.9 volume=45353996.500 peak=2477 ppm1=4.327 ppm2=1.510
assign ( resid 91 and name HB
)
( resid 92 and name H
) 3.3 0.7 0.7 volume=212968648.500 peak=2480 ppm1=4.336 ppm2=7.825
assign ( resid 91 and name HB
)
( resid 91 and name H
) 3.2 0.6 0.6 volume=233550641.000 peak=2481 ppm1=4.332 ppm2=8.875
assign ( resid 46 and name HA
)
( resid 48 and name HB#
) 4.2 0.8 0.8 volume=51744260.438 peak=2482 ppm1=4.798 ppm2=1.222
assign ( resid 39 and name HA
)
( resid 34 and name HB#
) 4.5 0.9 0.9 volume=34156210.328 peak=2483 ppm1=4.696 ppm2=1.330
assign ( resid 17 and name HA
)
( resid 18 and name HG2
) 4.0 0.8 0.8 volume=65559018.000 peak=2484 ppm1=4.666 ppm2=2.237
assign ( resid 17 and name HA
)
( resid 18 and name HG3
) 3.8 0.8 0.8 volume=85983636.500 peak=2485 ppm1=4.669 ppm2=2.122
assign ( resid 76 and name HB2
)
( resid 76 and name H
) 4.0 0.8 0.8 volume=69661175.375 peak=2486 ppm1=1.518 ppm2=7.858
assign ( resid 76 and name HB3
)
( resid 76 and name HB2
) 3.2 0.6 0.6 volume=263343742.000 peak=2487 ppm1=1.350 ppm2=1.517
Contact the webmaster for help, if required. Friday, May 3, 2024 12:59:29 PM GMT (wattos1)