NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
615446 |
2ncn   |
26603 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
assign ( resid 7 and name HG13
)
( resid 7 and name HG12
) 2.0 0.5 0.5 volume=220607040.000 peak=1 ppm1=1.516 ppm2=1.183
assign ( resid 107 and name HA
)
( resid 107 and name HB2
) 2.3 0.7 0.7 volume=65257552.000 peak=2 ppm1=4.526 ppm2=1.892
assign ( resid 64 and name HD2#
)
( resid 64 and name HG
) 2.3 0.7 0.7 volume=82873976.000 peak=3 ppm1=0.923 ppm2=1.964
assign ( resid 57 and name HA
)
( resid 57 and name HG3
) 2.7 0.9 0.9 volume=31218042.000 peak=4 ppm1=5.058 ppm2=1.265
assign ( resid 57 and name HA
)
( resid 40 and name HG1#
) 3.4 1.4 1.4 volume=10722699.000 peak=5 ppm1=5.052 ppm2=-0.384
assign ( resid 102 and name HA
)
( resid 105 and name HB3
) 3.1 1.2 1.2 volume=13788573.000 peak=6 ppm1=4.030 ppm2=3.060
assign ( resid 102 and name HA
)
( resid 37 and name HD1#
) 2.5 0.8 0.8 volume=35596888.000 peak=7 ppm1=4.034 ppm2=0.290
assign ( resid 57 and name HA
)
( resid 40 and name HA
) 3.3 1.3 1.3 volume=24162248.000 peak=8 ppm1=5.061 ppm2=4.660
assign ( resid 53 and name HD1#
)
( resid 119 and name HE#
) 2.8 1.0 1.0 volume=25577824.000 peak=9 ppm1=0.985 ppm2=6.508
assign ( resid 50 and name HD1#
)
( resid 85 and name HD#
) 3.2 1.3 1.3 volume=17958176.000 peak=10 ppm1=0.986 ppm2=6.932
assign ( resid 53 and name HD1#
)
( resid 73 and name HG2#
) 2.5 0.8 0.8 volume=39513900.000 peak=11 ppm1=0.983 ppm2=0.400
assign ( resid 54 and name HA
)
( resid 53 and name HB2
) 2.4 0.7 3.6 volume=53759612.000 peak=12 ppm1=4.419 ppm2=1.955
assign ( resid 2 and name HG2
)
( resid 2 and name HG3
) 2.1 0.5 0.5 volume=185817504.000 peak=13 ppm1=1.964 ppm2=1.885
assign ( resid 2 and name HG3
)
( resid 2 and name HG2
) 1.9 0.5 0.5 volume=173341184.000 peak=14 ppm1=1.879 ppm2=1.965
assign ( resid 120 and name HB#
)
( resid 44 and name HA
) 3.4 1.5 1.5 volume=12898307.000 peak=15 ppm1=1.507 ppm2=4.452
assign ( resid 87 and name HD1#
)
( resid 87 and name HG
) 2.1 0.5 0.5 volume=143569632.000 peak=16 ppm1=0.888 ppm2=1.567
assign ( resid 53 and name HD2#
)
( resid 119 and name HE#
) 2.9 1.1 1.1 volume=17535250.000 peak=17 ppm1=0.863 ppm2=6.512
assign ( resid 53 and name HD2#
)
( resid 73 and name HA
) 3.3 1.4 1.4 volume=30764438.000 peak=18 ppm1=0.858 ppm2=3.275
assign ( resid 59 and name HD1#
)
( resid 59 and name HG
) 2.1 0.5 0.5 volume=97030816.000 peak=19 ppm1=0.580 ppm2=1.348
assign ( resid 37 and name HA
)
( resid 38 and name HD3
) 3.0 1.2 1.2 volume=14600753.000 peak=20 ppm1=4.167 ppm2=3.549
assign ( resid 88 and name HD1#
)
( resid 88 and name HG
) 2.2 0.6 0.6 volume=76291032.000 peak=21 ppm1=0.440 ppm2=1.263
assign ( resid 117 and name HA
)
( resid 89 and name HA
) 2.6 0.9 0.9 volume=27911100.000 peak=22 ppm1=5.633 ppm2=4.536
assign ( resid 119 and name HA
)
( resid 87 and name HA
) 2.9 1.1 1.1 volume=20564650.000 peak=23 ppm1=6.144 ppm2=5.259
assign ( resid 19 and name HD2#
)
( resid 22 and name HB3
or resid 22 and name HB2
) 2.8 1.0 1.0 volume=29584670.000 peak=24 ppm1=1.030 ppm2=1.865
assign ( resid 19 and name HD2#
)
( resid 112 and name HB2
) 2.8 1.0 1.0 volume=25072854.000 peak=25 ppm1=1.035 ppm2=3.078
assign ( resid 19 and name HD2#
)
( resid 112 and name HB3
) 2.7 0.9 0.9 volume=49919956.000 peak=26 ppm1=1.034 ppm2=2.741
assign ( resid 19 and name HD2#
)
( resid 112 and name HA
) 2.6 0.9 0.9 volume=41655616.000 peak=27 ppm1=1.029 ppm2=4.335
assign ( resid 19 and name HD2#
)
( resid 19 and name HA
) 2.4 0.7 0.7 volume=50246664.000 peak=28 ppm1=1.028 ppm2=4.043
assign ( resid 87 and name HA
)
( resid 119 and name HA
) 2.8 1.0 1.0 volume=21131610.000 peak=29 ppm1=5.263 ppm2=6.157
assign ( resid 50 and name HD2#
)
( resid 51 and name HD2
) 2.9 1.0 1.0 volume=19351490.000 peak=30 ppm1=1.110 ppm2=3.596
assign ( resid 56 and name HG2#
)
( resid 40 and name HG1#
) 3.3 1.3 1.3 volume=12113720.000 peak=31 ppm1=1.267 ppm2=-0.358
assign ( resid 115 and name HG2#
)
( resid 105 and name HA
) 2.6 0.8 0.8 volume=37523544.000 peak=32 ppm1=1.061 ppm2=3.949
assign ( resid 26 and name HG2#
)
( resid 113 and name HA3
) 3.1 1.2 1.2 volume=12301606.000 peak=33 ppm1=0.177 ppm2=4.542
assign ( resid 26 and name HG2#
)
( resid 26 and name HB
) 2.3 0.7 0.7 volume=54023940.000 peak=34 ppm1=0.178 ppm2=1.949
assign ( resid 26 and name HG2#
)
( resid 114 and name HA
) 3.6 1.6 1.6 volume=9991552.000 peak=35 ppm1=0.174 ppm2=4.869
assign ( resid 118 and name HG2#
)
( resid 44 and name HD#
) 2.5 0.8 0.8 volume=35307820.000 peak=36 ppm1=1.281 ppm2=7.062
assign ( resid 99 and name HA
)
( resid 99 and name HB#
) 2.0 0.5 0.5 volume=153386640.000 peak=37 ppm1=4.404 ppm2=1.499
assign ( resid 84 and name HA
)
( resid 84 and name HB#
) 1.9 0.5 0.5 volume=168650160.000 peak=38 ppm1=4.197 ppm2=1.399
assign ( resid 41 and name HG1#
)
( resid 119 and name HD#
) 2.5 0.8 0.8 volume=40524276.000 peak=39 ppm1=0.877 ppm2=6.608
assign ( resid 60 and name HG2#
)
( resid 60 and name HB
) 2.1 0.5 0.5 volume=115188072.000 peak=40 ppm1=0.881 ppm2=1.912
assign ( resid 60 and name HG2#
)
( resid 59 and name HA
) 2.2 0.6 3.8 volume=70660832.000 peak=41 ppm1=0.875 ppm2=4.963
assign ( resid 60 and name HG1#
)
( resid 101 and name HG3
) 3.0 1.1 1.1 volume=23033722.000 peak=42 ppm1=0.573 ppm2=2.340
assign ( resid 67 and name HG2#
)
( resid 67 and name HA
) 2.4 0.7 0.7 volume=60493408.000 peak=43 ppm1=1.220 ppm2=3.920
assign ( resid 67 and name HG2#
)
( resid 68 and name HA
) 2.0 0.5 4.0 volume=118603800.000 peak=44 ppm1=1.218 ppm2=4.081
assign ( resid 26 and name HG1#
)
( resid 26 and name HB
) 2.1 0.6 0.6 volume=108242288.000 peak=45 ppm1=0.826 ppm2=1.944
assign ( resid 89 and name HG1#
)
( resid 108 and name HD#
) 3.0 1.2 1.2 volume=19609976.000 peak=46 ppm1=0.639 ppm2=7.403
assign ( resid 48 and name HG2#
)
( resid 48 and name HA
) 2.1 0.6 0.6 volume=95856880.000 peak=47 ppm1=1.117 ppm2=4.619
assign ( resid 41 and name HG2#
)
( resid 41 and name HB
) 2.3 0.6 0.6 volume=73621048.000 peak=48 ppm1=0.882 ppm2=2.115
assign ( resid 26 and name HG1#
)
( resid 114 and name HE#
) 3.1 1.2 1.2 volume=10373897.000 peak=49 ppm1=0.819 ppm2=7.118
assign ( resid 89 and name HG2#
)
( resid 117 and name HA
) 3.2 1.3 1.3 volume=17864698.000 peak=50 ppm1=0.724 ppm2=5.632
assign ( resid 89 and name HG2#
)
( resid 117 and name HG2
) 2.9 1.0 1.0 volume=17820406.000 peak=51 ppm1=0.719 ppm2=2.590
assign ( resid 89 and name HG2#
)
( resid 117 and name HG3
) 3.1 1.2 1.2 volume=11887587.000 peak=52 ppm1=0.716 ppm2=2.436
assign ( resid 40 and name HG2#
)
( resid 57 and name HA
or resid 116 and name HA
) 2.9 1.1 1.1 volume=16726112.000 peak=53 ppm1=0.602 ppm2=5.053
assign ( resid 78 and name HG2#
)
( resid 78 and name HB
) 2.0 0.5 0.5 volume=160765776.000 peak=54 ppm1=0.883 ppm2=2.253
assign ( resid 10 and name HG1#
)
( resid 10 and name HA
) 2.2 0.6 0.6 volume=103771976.000 peak=55 ppm1=0.944 ppm2=4.205
assign ( resid 40 and name HG1#
)
( resid 56 and name HG2#
or resid 57 and name HG3
) 3.2 1.3 1.3 volume=16606337.000 peak=56 ppm1=-0.392 ppm2=1.263
assign ( resid 99 and name HB#
)
( resid 96 and name HB2
) 3.1 1.2 1.2 volume=17284238.000 peak=57 ppm1=1.508 ppm2=3.986
assign ( resid 99 and name HB#
)
( resid 104 and name HD1#
or resid 104 and name HG12
) 2.2 0.6 0.6 volume=85176512.000 peak=58 ppm1=1.509 ppm2=0.884
assign ( resid 84 and name HB#
)
( resid 85 and name HA
) 3.1 1.2 1.2 volume=12115861.000 peak=59 ppm1=1.404 ppm2=4.651
assign ( resid 99 and name HB#
)
( resid 96 and name HB3
) 3.0 1.1 1.1 volume=23252538.000 peak=60 ppm1=1.511 ppm2=3.847
assign ( resid 31 and name HB#
)
( resid 27 and name HA
) 1.9 0.4 4.1 volume=212764224.000 peak=61 ppm1=1.467 ppm2=4.133
assign ( resid 29 and name HG2#
)
( resid 33 and name HD#
) 2.5 0.8 0.8 volume=36854028.000 peak=62 ppm1=0.991 ppm2=7.354
assign ( resid 29 and name HG2#
)
( resid 38 and name HA
) 3.4 1.4 1.4 volume=12968859.000 peak=63 ppm1=0.991 ppm2=5.145
assign ( resid 29 and name HG2#
)
( resid 29 and name HB
) 2.1 0.6 0.6 volume=83508728.000 peak=64 ppm1=0.990 ppm2=1.960
assign ( resid 73 and name HG2#
)
( resid 85 and name HD#
) 3.1 1.2 1.2 volume=13969752.000 peak=65 ppm1=0.391 ppm2=6.944
assign ( resid 73 and name HG2#
)
( resid 85 and name HE#
) 3.0 1.1 1.1 volume=14731218.000 peak=66 ppm1=0.392 ppm2=6.791
assign ( resid 73 and name HG2#
)
( resid 77 and name HE#
) 2.8 1.0 1.0 volume=22749340.000 peak=67 ppm1=0.393 ppm2=1.403
assign ( resid 21 and name HG2#
)
( resid 21 and name HG13
) 2.2 0.6 0.6 volume=71847976.000 peak=68 ppm1=0.998 ppm2=1.595
assign ( resid 77 and name HE#
)
( resid 85 and name HD#
) 2.9 1.0 1.0 volume=21235864.000 peak=69 ppm1=1.411 ppm2=6.929
assign ( resid 77 and name HE#
)
( resid 85 and name HE#
) 2.6 0.9 0.9 volume=27157580.000 peak=70 ppm1=1.402 ppm2=6.787
assign ( resid 77 and name HE#
)
( resid 119 and name HD#
or resid 119 and name HE#
) 2.7 0.9 0.9 volume=34283844.000 peak=71 ppm1=1.404 ppm2=6.506
assign ( resid 72 and name HG2#
)
( resid 72 and name HB
) 2.3 0.7 0.7 volume=66737028.000 peak=72 ppm1=0.940 ppm2=2.086
assign ( resid 72 and name HG2#
)
( resid 69 and name HD#
) 2.7 0.9 0.9 volume=37773080.000 peak=73 ppm1=0.937 ppm2=7.066
assign ( resid 37 and name HG2#
)
( resid 38 and name HD3
) 3.2 1.3 1.3 volume=13889617.000 peak=74 ppm1=0.488 ppm2=3.548
assign ( resid 72 and name HG2#
)
( resid 73 and name HA
) 3.3 1.3 1.3 volume=19167604.000 peak=75 ppm1=0.930 ppm2=3.253
assign ( resid 37 and name HG2#
)
( resid 105 and name HD#
) 2.7 0.9 0.9 volume=31827758.000 peak=76 ppm1=0.488 ppm2=7.026
assign ( resid 37 and name HG2#
)
( resid 105 and name HB3
) 2.7 0.9 0.9 volume=22131562.000 peak=77 ppm1=0.484 ppm2=3.103
assign ( resid 101 and name HE#
)
( resid 66 and name HA
) 3.1 1.2 1.2 volume=31037580.000 peak=78 ppm1=1.339 ppm2=4.591
assign ( resid 72 and name HD1#
)
( resid 69 and name HA
) 2.7 0.9 0.9 volume=28487344.000 peak=79 ppm1=1.018 ppm2=4.456
assign ( resid 72 and name HD1#
)
( resid 69 and name HD#
) 2.7 0.9 0.9 volume=25759002.000 peak=80 ppm1=1.013 ppm2=7.004
assign ( resid 29 and name HD1#
)
( resid 26 and name HA
) 2.7 0.9 0.9 volume=23590986.000 peak=81 ppm1=0.934 ppm2=3.323
assign ( resid 29 and name HD1#
)
( resid 38 and name HB2
) 2.7 0.9 0.9 volume=23676428.000 peak=82 ppm1=0.934 ppm2=2.246
assign ( resid 29 and name HD1#
)
( resid 25 and name HB2
) 3.1 1.2 1.2 volume=14483479.000 peak=83 ppm1=0.927 ppm2=2.437
assign ( resid 29 and name HD1#
)
( resid 38 and name HA
) 3.4 1.4 1.4 volume=9507378.000 peak=84 ppm1=0.932 ppm2=5.148
assign ( resid 110 and name HB3
)
( resid 116 and name HE#
or resid 116 and name HD#
) 3.5 1.5 1.5 volume=9464279.000 peak=85 ppm1=3.114 ppm2=7.214
assign ( resid 73 and name HD1#
)
( resid 41 and name HG2#
or resid 41 and name HG1#
) 2.2 0.6 0.6 volume=81472808.000 peak=86 ppm1=-0.151 ppm2=0.888
assign ( resid 73 and name HD1#
)
( resid 69 and name HE#
or resid 69 and name HD#
) 3.0 1.1 1.1 volume=19409116.000 peak=87 ppm1=-0.157 ppm2=6.936
assign ( resid 73 and name HD1#
)
( resid 41 and name HB
) 3.1 1.2 1.2 volume=10886139.000 peak=88 ppm1=-0.154 ppm2=2.042
assign ( resid 107 and name HB2
)
( resid 107 and name HA
) 3.2 1.3 1.3 volume=15144929.000 peak=89 ppm1=1.892 ppm2=4.533
assign ( resid 70 and name HB2
)
( resid 67 and name HA
) 3.8 1.8 1.8 volume=13155791.000 peak=90 ppm1=1.724 ppm2=3.920
assign ( resid 112 and name HB3
)
( resid 19 and name HD2#
) 3.5 1.5 1.5 volume=10968375.000 peak=91 ppm1=2.730 ppm2=1.017
assign ( resid 104 and name HD1#
)
( resid 66 and name HG3
) 3.2 1.3 1.3 volume=18331134.000 peak=92 ppm1=0.870 ppm2=2.431
assign ( resid 104 and name HD1#
)
( resid 104 and name HB
) 2.7 0.9 0.9 volume=22582334.000 peak=93 ppm1=0.873 ppm2=2.287
assign ( resid 104 and name HD1#
)
( resid 99 and name HB#
) 2.3 0.7 0.7 volume=62415140.000 peak=94 ppm1=0.870 ppm2=1.509
assign ( resid 125 and name HB2
)
( resid 125 and name HB3
) 2.3 0.7 0.7 volume=58652324.000 peak=95 ppm1=2.755 ppm2=3.094
assign ( resid 37 and name HD1#
)
( resid 105 and name HD#
) 2.8 1.0 1.0 volume=30290472.000 peak=96 ppm1=0.294 ppm2=7.026
assign ( resid 37 and name HD1#
)
( resid 102 and name HA
) 2.4 0.7 0.7 volume=39566256.000 peak=97 ppm1=0.288 ppm2=4.029
assign ( resid 37 and name HD1#
)
( resid 105 and name HB3
) 2.6 0.8 0.8 volume=32016136.000 peak=98 ppm1=0.288 ppm2=3.102
assign ( resid 37 and name HD1#
)
( resid 101 and name HB2
or resid 101 and name HB3
) 2.7 0.9 0.9 volume=26624570.000 peak=99 ppm1=0.286 ppm2=2.016
assign ( resid 37 and name HD1#
)
( resid 102 and name HB#
) 2.4 0.7 0.7 volume=39834584.000 peak=100 ppm1=0.291 ppm2=1.438
assign ( resid 37 and name HD1#
)
( resid 37 and name HG13
) 2.5 0.8 0.8 volume=35911296.000 peak=101 ppm1=0.289 ppm2=1.126
assign ( resid 37 and name HD1#
)
( resid 37 and name HG12
) 2.4 0.7 0.7 volume=44303396.000 peak=102 ppm1=0.289 ppm2=0.893
assign ( resid 67 and name HB
)
( resid 67 and name HG2#
) 2.0 0.5 0.5 volume=139688320.000 peak=103 ppm1=4.082 ppm2=1.218
assign ( resid 29 and name HB
)
( resid 26 and name HA
) 3.0 1.1 1.1 volume=13619238.000 peak=104 ppm1=1.983 ppm2=3.315
assign ( resid 29 and name HB
)
( resid 26 and name HA
) 3.3 1.4 1.4 volume=10808791.000 peak=105 ppm1=1.934 ppm2=3.320
assign ( resid 37 and name HB
)
( resid 37 and name HG12
or resid 60 and name HG2#
) 3.3 1.4 1.4 volume=9917481.000 peak=106 ppm1=1.671 ppm2=0.920
assign ( resid 67 and name HA
)
( resid 70 and name HB2
) 2.5 0.8 0.8 volume=31536660.000 peak=107 ppm1=3.919 ppm2=1.726
assign ( resid 21 and name HB
)
( resid 21 and name HG13
) 2.7 0.9 0.9 volume=23361846.000 peak=108 ppm1=2.067 ppm2=1.592
assign ( resid 73 and name HB
)
( resid 70 and name HA
) 3.7 1.7 1.7 volume=11881078.000 peak=109 ppm1=1.542 ppm2=3.611
assign ( resid 26 and name HA
)
( resid 26 and name HB
or resid 29 and name HB
) 3.0 1.1 1.1 volume=25663348.000 peak=110 ppm1=3.306 ppm2=1.960
assign ( resid 24 and name HG2
)
( resid 24 and name HG3
) 1.6 0.3 0.3 volume=506776640.000 peak=111 ppm1=2.440 ppm2=2.291
assign ( resid 29 and name HA
)
( resid 32 and name HB2
) 3.0 1.1 1.1 volume=19359564.000 peak=112 ppm1=3.887 ppm2=1.492
assign ( resid 29 and name HA
)
( resid 33 and name HD#
) 3.0 1.1 1.1 volume=26260826.000 peak=113 ppm1=3.893 ppm2=7.347
assign ( resid 115 and name HB
)
( resid 39 and name HG1#
) 3.1 1.2 1.2 volume=16275508.000 peak=114 ppm1=2.032 ppm2=0.602
assign ( resid 73 and name HA
)
( resid 72 and name HG2#
) 2.8 1.0 1.0 volume=23549260.000 peak=115 ppm1=3.273 ppm2=0.883
assign ( resid 60 and name HB
)
( resid 60 and name HG2#
) 2.4 0.7 0.7 volume=54493128.000 peak=116 ppm1=1.861 ppm2=0.878
assign ( resid 32 and name HB2
)
( resid 33 and name HE#
or resid 33 and name HD#
) 3.2 1.3 1.3 volume=12728594.000 peak=117 ppm1=1.470 ppm2=7.345
assign ( resid 51 and name HA
)
( resid 51 and name HD2
) 3.4 1.5 1.5 volume=12696392.000 peak=118 ppm1=4.492 ppm2=3.511
assign ( resid 51 and name HB3
)
( resid 51 and name HB2
) 2.4 0.7 0.7 volume=38567796.000 peak=119 ppm1=2.512 ppm2=1.879
assign ( resid 62 and name HG2
)
( resid 62 and name HB3
) 3.1 1.2 1.2 volume=25618806.000 peak=120 ppm1=2.510 ppm2=1.966
assign ( resid 105 and name HA
)
( resid 109 and name HB3
) 3.0 1.1 1.1 volume=17958426.000 peak=121 ppm1=3.961 ppm2=1.415
assign ( resid 105 and name HA
)
( resid 115 and name HG1#
or resid 115 and name HG2#
) 2.5 0.8 0.8 volume=51833624.000 peak=122 ppm1=3.955 ppm2=1.033
assign ( resid 4 and name HB3
)
( resid 4 and name HB2
) 1.9 0.5 0.5 volume=274498432.000 peak=123 ppm1=2.313 ppm2=1.913
assign ( resid 52 and name HB3
)
( resid 51 and name HA
) 3.1 1.2 2.9 volume=14855970.000 peak=124 ppm1=2.035 ppm2=4.402
assign ( resid 38 and name HA
)
( resid 29 and name HG2#
or resid 39 and name HG2#
) 2.9 1.1 1.1 volume=21216688.000 peak=125 ppm1=5.120 ppm2=0.978
assign ( resid 38 and name HA
)
( resid 114 and name HD#
or resid 114 and name HE#
) 3.2 1.3 1.3 volume=14921006.000 peak=126 ppm1=5.130 ppm2=7.109
assign ( resid 89 and name HA
)
( resid 117 and name HA
) 2.7 0.9 0.9 volume=33246918.000 peak=127 ppm1=4.524 ppm2=5.625
assign ( resid 3 and name HB3
)
( resid 3 and name HB2
) 1.7 0.4 0.4 volume=388550912.000 peak=128 ppm1=2.372 ppm2=1.913
assign ( resid 69 and name HA
)
( resid 64 and name HD2#
or resid 72 and name HD1#
) 2.6 0.9 0.9 volume=39218064.000 peak=129 ppm1=4.461 ppm2=0.973
assign ( resid 74 and name HA
)
( resid 77 and name HE#
) 2.7 0.9 0.9 volume=24446192.000 peak=130 ppm1=3.380 ppm2=1.399
assign ( resid 25 and name HB2
)
( resid 22 and name HA
) 3.2 1.3 1.3 volume=13845502.000 peak=131 ppm1=2.396 ppm2=4.270
assign ( resid 24 and name HB3
)
( resid 21 and name HA
) 3.0 1.1 1.1 volume=14348410.000 peak=132 ppm1=2.222 ppm2=3.916
assign ( resid 25 and name HB2
)
( resid 25 and name HA
) 3.0 1.2 1.2 volume=24200350.000 peak=133 ppm1=2.442 ppm2=4.139
assign ( resid 25 and name HB2
)
( resid 114 and name HE#
) 3.5 1.6 1.6 volume=9793364.000 peak=134 ppm1=2.420 ppm2=7.115
assign ( resid 36 and name HD3
)
( resid 36 and name HA
) 3.2 1.3 1.3 volume=11576759.000 peak=135 ppm1=1.251 ppm2=4.763
assign ( resid 24 and name HA
)
( resid 27 and name HB#
) 2.3 0.6 0.6 volume=83564872.000 peak=136 ppm1=4.172 ppm2=1.505
assign ( resid 68 and name HA
)
( resid 67 and name HG2#
) 3.0 1.1 1.1 volume=19034348.000 peak=137 ppm1=4.144 ppm2=1.219
assign ( resid 19 and name HA
)
( resid 20 and name HB#
) 3.2 1.3 2.8 volume=16668177.000 peak=138 ppm1=4.045 ppm2=1.487
assign ( resid 116 and name HA
)
( resid 40 and name HG1#
) 3.2 1.3 1.3 volume=12064874.000 peak=139 ppm1=5.100 ppm2=-0.388
assign ( resid 116 and name HA
)
( resid 40 and name HB
) 4.2 2.2 2.2 volume=15543784.000 peak=140 ppm1=5.088 ppm2=1.266
assign ( resid 50 and name HG
)
( resid 121 and name HA
) 3.2 1.3 1.3 volume=10591252.000 peak=141 ppm1=0.957 ppm2=4.764
assign ( resid 104 and name HG12
)
( resid 99 and name HB#
) 3.4 1.5 1.5 volume=12018208.000 peak=142 ppm1=0.927 ppm2=1.481
assign ( resid 19 and name HG
)
( resid 19 and name HB3
) 3.2 1.3 1.3 volume=21084710.000 peak=143 ppm1=0.901 ppm2=1.627
assign ( resid 52 and name HG2
)
( resid 52 and name HB2
) 3.2 1.3 1.3 volume=11462683.000 peak=144 ppm1=1.741 ppm2=2.336
assign ( resid 52 and name HG3
)
( resid 52 and name HD2
) 3.1 1.2 1.2 volume=14514752.000 peak=145 ppm1=1.678 ppm2=3.651
assign ( resid 52 and name HG2
)
( resid 52 and name HB2
) 3.1 1.2 1.2 volume=18333616.000 peak=146 ppm1=1.795 ppm2=2.235
assign ( resid 22 and name HG2
)
( resid 19 and name HA
) 4.0 2.0 2.0 volume=7694877.500 peak=147 ppm1=1.614 ppm2=4.024
assign ( resid 52 and name HG3
)
( resid 52 and name HD2
) 3.4 1.4 1.4 volume=10307958.000 peak=148 ppm1=1.659 ppm2=3.571
assign ( resid 105 and name HA
)
( resid 37 and name HG2#
) 3.2 1.3 1.3 volume=12214849.000 peak=149 ppm1=3.940 ppm2=0.509
assign ( resid 104 and name HA
)
( resid 108 and name HE#
) 2.9 1.1 1.1 volume=22311528.000 peak=150 ppm1=4.126 ppm2=6.890
assign ( resid 104 and name HA
)
( resid 108 and name HD#
) 2.6 0.9 0.9 volume=34648036.000 peak=151 ppm1=4.125 ppm2=7.415
assign ( resid 119 and name HA
)
( resid 87 and name HA
) 2.9 1.1 1.1 volume=20564650.000 peak=152 ppm1=6.144 ppm2=5.259
assign ( resid 51 and name HB2
)
( resid 51 and name HB3
) 2.6 0.8 0.8 volume=39747816.000 peak=153 ppm1=1.866 ppm2=2.508
assign ( resid 67 and name HB
)
( resid 67 and name HA
) 2.3 0.7 0.7 volume=45767444.000 peak=154 ppm1=4.080 ppm2=3.923
assign ( resid 4 and name HD2
)
( resid 3 and name HA
) 1.9 0.4 0.4 volume=254690656.000 peak=155 ppm1=3.836 ppm2=4.727
assign ( resid 4 and name HD3
)
( resid 3 and name HA
) 2.0 0.5 0.5 volume=217065248.000 peak=156 ppm1=3.651 ppm2=4.726
assign ( resid 84 and name HA
)
( resid 85 and name HA
) 3.3 1.4 1.4 volume=9113459.000 peak=157 ppm1=4.193 ppm2=4.631
assign ( resid 99 and name HA
)
( resid 103 and name HB3
or resid 103 and name HB2
) 3.7 1.7 1.7 volume=9342015.000 peak=158 ppm1=4.410 ppm2=2.523
assign ( resid 21 and name HA
)
( resid 21 and name HB
) 2.9 1.1 1.1 volume=30905774.000 peak=159 ppm1=3.918 ppm2=2.101
assign ( resid 77 and name HE#
)
( resid 74 and name HA
) 3.0 1.1 1.1 volume=16182478.000 peak=160 ppm1=1.410 ppm2=3.375
assign ( resid 27 and name HB#
)
( resid 24 and name HB3
) 3.0 1.1 1.1 volume=22555098.000 peak=161 ppm1=1.514 ppm2=2.253
assign ( resid 27 and name HB#
)
( resid 26 and name HB
) 2.8 1.0 3.2 volume=21771856.000 peak=162 ppm1=1.511 ppm2=1.949
assign ( resid 77 and name HE#
)
( resid 73 and name HG2#
) 2.5 0.8 0.8 volume=60665064.000 peak=163 ppm1=1.406 ppm2=0.386
assign ( resid 102 and name HB#
)
( resid 62 and name HA
) 2.6 0.8 0.8 volume=39327516.000 peak=164 ppm1=1.444 ppm2=3.838
assign ( resid 102 and name HB#
)
( resid 102 and name HA
) 2.1 0.6 0.6 volume=113825640.000 peak=165 ppm1=1.446 ppm2=4.031
assign ( resid 119 and name HA
)
( resid 120 and name HB#
) 3.2 1.3 1.3 volume=9019783.000 peak=166 ppm1=6.138 ppm2=1.543
assign ( resid 53 and name HD2#
)
( resid 73 and name HG2#
) 2.5 0.8 0.8 volume=37766076.000 peak=167 ppm1=0.864 ppm2=0.412
assign ( resid 52 and name HB2
)
( resid 52 and name HG3
) 2.5 0.8 0.8 volume=29099362.000 peak=168 ppm1=2.240 ppm2=1.584
assign ( resid 82 and name HA
)
( resid 81 and name HB#
) 2.7 0.9 3.3 volume=24896468.000 peak=169 ppm1=4.236 ppm2=1.466
assign ( resid 3 and name HA
)
( resid 4 and name HG2
) 2.1 0.5 3.9 volume=138132144.000 peak=170 ppm1=4.727 ppm2=2.049
assign ( resid 38 and name HA
)
( resid 59 and name HA
) 2.8 1.0 1.0 volume=25181218.000 peak=171 ppm1=5.128 ppm2=4.945
assign ( resid 73 and name HA
)
( resid 53 and name HD1#
or resid 72 and name HG2#
) 3.1 1.2 1.2 volume=17198894.000 peak=172 ppm1=3.274 ppm2=0.972
assign ( resid 87 and name HA
)
( resid 66 and name HE#
) 3.7 1.7 1.7 volume=10188235.000 peak=173 ppm1=5.256 ppm2=1.991
assign ( resid 66 and name HG3
)
( resid 104 and name HG13
or resid 104 and name HG12
) 3.7 1.7 1.7 volume=13544415.000 peak=174 ppm1=2.407 ppm2=0.877
assign ( resid 37 and name HD1#
)
( resid 37 and name HG2#
) 2.3 0.6 0.6 volume=80213784.000 peak=175 ppm1=0.293 ppm2=0.490
assign ( resid 21 and name HB
)
( resid 21 and name HA
) 2.9 1.1 1.1 volume=15230475.000 peak=176 ppm1=2.076 ppm2=3.936
assign ( resid 51 and name HA
)
( resid 52 and name HD2
) 2.8 1.0 1.0 volume=31155368.000 peak=177 ppm1=4.443 ppm2=3.694
assign ( resid 104 and name HA
)
( resid 104 and name HB
) 3.0 1.1 1.1 volume=18970708.000 peak=178 ppm1=4.123 ppm2=2.302
assign ( resid 59 and name HA
)
( resid 38 and name HA
) 2.9 1.1 1.1 volume=28662080.000 peak=179 ppm1=4.936 ppm2=5.104
assign ( resid 25 and name HG3
)
( resid 114 and name HE#
) 3.6 1.6 1.6 volume=6271533.500 peak=180 ppm1=2.600 ppm2=7.160
assign ( resid 67 and name HG2#
)
( resid 68 and name HG3
) 2.7 0.9 0.9 volume=20573888.000 peak=181 ppm1=1.218 ppm2=2.431
assign ( resid 118 and name HG2#
)
( resid 44 and name HB2
) 3.3 1.3 1.3 volume=20583394.000 peak=182 ppm1=1.280 ppm2=2.821
assign ( resid 118 and name HG2#
)
( resid 44 and name HB3
) 2.6 0.8 0.8 volume=26785510.000 peak=183 ppm1=1.283 ppm2=3.128
assign ( resid 89 and name HB
)
( resid 93 and name HB2
) 3.4 1.4 1.4 volume=11831002.000 peak=184 ppm1=1.631 ppm2=3.777
assign ( resid 58 and name HB3
)
( resid 39 and name HG2#
) 2.8 1.0 1.0 volume=21448980.000 peak=185 ppm1=2.918 ppm2=0.996
assign ( resid 41 and name HG1#
)
( resid 73 and name HD1#
) 2.3 0.7 0.7 volume=53941344.000 peak=186 ppm1=0.876 ppm2=-0.153
assign ( resid 10 and name HG1#
)
( resid 10 and name HB
) 1.9 0.4 0.4 volume=201523168.000 peak=187 ppm1=0.943 ppm2=2.092
assign ( resid 99 and name HB#
)
( resid 96 and name HA
or resid 97 and name HA
) 3.0 1.2 1.2 volume=15844491.000 peak=188 ppm1=1.512 ppm2=4.620
assign ( resid 99 and name HB#
)
( resid 66 and name HG2
) 3.9 1.9 1.9 volume=8422607.000 peak=189 ppm1=1.503 ppm2=2.770
assign ( resid 102 and name HB#
)
( resid 37 and name HD1#
) 2.7 0.9 0.9 volume=50878844.000 peak=190 ppm1=1.438 ppm2=0.284
assign ( resid 31 and name HB#
)
( resid 30 and name HB2
) 2.5 0.8 3.5 volume=47538592.000 peak=191 ppm1=1.441 ppm2=1.841
assign ( resid 102 and name HB#
)
( resid 103 and name HG2
or resid 103 and name HG3
) 2.6 0.9 0.9 volume=37399156.000 peak=192 ppm1=1.443 ppm2=2.315
assign ( resid 53 and name HD1#
)
( resid 119 and name HD#
) 3.2 1.3 1.3 volume=14505590.000 peak=193 ppm1=0.985 ppm2=6.599
assign ( resid 118 and name HG2#
)
( resid 44 and name HE#
or resid 119 and name HD#
) 3.0 1.1 1.1 volume=13086488.000 peak=194 ppm1=1.286 ppm2=6.555
assign ( resid 50 and name HD2#
)
( resid 121 and name HA
) 3.5 1.6 1.6 volume=12918992.000 peak=195 ppm1=1.100 ppm2=4.711
assign ( resid 101 and name HE#
)
( resid 66 and name HG3
) 2.8 1.0 1.0 volume=38802496.000 peak=196 ppm1=1.338 ppm2=2.458
assign ( resid 29 and name HD1#
)
( resid 38 and name HB3
) 2.7 0.9 0.9 volume=21805736.000 peak=197 ppm1=0.926 ppm2=1.695
assign ( resid 79 and name HB2
)
( resid 79 and name HA
) 3.5 1.5 1.5 volume=10716204.000 peak=198 ppm1=1.410 ppm2=4.531
assign ( resid 104 and name HG2#
)
( resid 108 and name HD#
) 2.6 0.8 0.8 volume=34861896.000 peak=199 ppm1=0.969 ppm2=7.393
assign ( resid 104 and name HG2#
)
( resid 101 and name HA
) 3.4 1.5 1.5 volume=14551675.000 peak=200 ppm1=0.970 ppm2=4.393
assign ( resid 107 and name HA
)
( resid 109 and name H
) 3.7 1.7 1.7 volume=9059299.000 peak=201 ppm1=4.551 ppm2=7.625
assign ( resid 65 and name HB
)
( resid 100 and name HA
) 3.4 1.5 1.5 volume=14941879.000 peak=202 ppm1=4.616 ppm2=4.960
assign ( resid 65 and name HB
)
( resid 67 and name HB
) 3.7 1.7 1.7 volume=12271448.000 peak=203 ppm1=4.611 ppm2=4.066
assign ( resid 51 and name HD2
)
( resid 51 and name HB2
) 3.1 1.2 1.2 volume=20423202.000 peak=204 ppm1=3.542 ppm2=1.817
assign ( resid 118 and name HA
)
( resid 119 and name HD#
) 3.6 1.6 1.6 volume=9659385.000 peak=205 ppm1=6.280 ppm2=6.600
assign ( resid 119 and name HA
)
( resid 85 and name HD#
) 3.6 1.6 1.6 volume=7359901.000 peak=206 ppm1=6.174 ppm2=6.940
assign ( resid 73 and name HD1#
)
( resid 70 and name HA
) 4.0 2.0 2.0 volume=12702258.000 peak=207 ppm1=-0.150 ppm2=3.604
assign ( resid 2 and name HG2
)
( resid 2 and name HB3
) 3.4 1.4 1.4 volume=22729036.000 peak=208 ppm1=1.958 ppm2=2.141
assign ( resid 104 and name HG2#
)
( resid 108 and name HE#
) 3.4 1.4 1.4 volume=18923236.000 peak=209 ppm1=0.961 ppm2=6.908
assign ( resid 65 and name HG2#
)
( resid 68 and name HB3
) 3.5 1.5 1.5 volume=16294118.000 peak=210 ppm1=1.296 ppm2=2.078
assign ( resid 115 and name HG1#
)
( resid 37 and name HG2#
) 3.3 1.3 1.3 volume=21952970.000 peak=211 ppm1=1.003 ppm2=0.489
assign ( resid 56 and name HG2#
)
( resid 56 and name HA
) 2.5 0.8 0.8 volume=61788556.000 peak=212 ppm1=1.281 ppm2=4.781
assign ( resid 105 and name HA
)
( resid 106 and name H
) 3.7 1.7 1.7 volume=10225303.000 peak=213 ppm1=3.944 ppm2=7.616
assign ( resid 44 and name HA
)
( resid 118 and name HG2#
) 2.9 1.0 1.0 volume=21523916.000 peak=214 ppm1=4.428 ppm2=1.262
assign ( resid 85 and name HA
)
( resid 86 and name HD#
) 3.3 1.4 1.4 volume=15664506.000 peak=215 ppm1=4.584 ppm2=6.929
assign ( resid 33 and name HB3
)
( resid 33 and name HA
) 3.9 1.9 1.9 volume=5869339.500 peak=216 ppm1=3.051 ppm2=5.231
assign ( resid 27 and name HA
)
( resid 26 and name HA
) 3.9 1.9 1.9 volume=6834028.000 peak=217 ppm1=4.093 ppm2=3.324
assign ( resid 31 and name HA
)
( resid 32 and name HA
) 3.0 1.2 3.0 volume=14776942.000 peak=218 ppm1=4.154 ppm2=3.975
assign ( resid 81 and name HB#
)
( resid 81 and name HA
) 2.0 0.5 0.5 volume=156420880.000 peak=219 ppm1=1.456 ppm2=4.210
assign ( resid 102 and name HA
)
( resid 62 and name HA
) 3.7 1.7 1.7 volume=7782525.000 peak=220 ppm1=4.037 ppm2=3.852
assign ( resid 102 and name HA
)
( resid 105 and name HD#
) 3.7 1.7 1.7 volume=6595596.500 peak=221 ppm1=4.026 ppm2=6.993
assign ( resid 120 and name HB#
)
( resid 44 and name HD#
) 2.9 1.0 1.0 volume=33496118.000 peak=222 ppm1=1.517 ppm2=7.023
assign ( resid 120 and name HB#
)
( resid 44 and name HE#
or resid 119 and name HD#
) 3.0 1.1 1.1 volume=15607861.000 peak=223 ppm1=1.510 ppm2=6.612
assign ( resid 2 and name HG3
)
( resid 2 and name HB3
) 3.6 1.6 1.6 volume=15575207.000 peak=224 ppm1=1.879 ppm2=2.142
assign ( resid 72 and name HG2#
)
( resid 72 and name HA
) 2.6 0.8 0.8 volume=69118952.000 peak=225 ppm1=0.938 ppm2=3.692
assign ( resid 60 and name HB
)
( resid 61 and name HD3
) 3.7 1.7 1.7 volume=8095571.500 peak=226 ppm1=1.860 ppm2=4.114
assign ( resid 53 and name HD2#
)
( resid 77 and name HG3
) 2.6 0.9 0.9 volume=44485928.000 peak=227 ppm1=0.868 ppm2=2.234
assign ( resid 109 and name HA
)
( resid 105 and name HD#
) 3.7 1.7 1.7 volume=9054609.000 peak=228 ppm1=4.130 ppm2=6.980
assign ( resid 19 and name HA
)
( resid 20 and name HA
) 3.4 1.4 1.4 volume=8459882.000 peak=229 ppm1=4.046 ppm2=4.355
assign ( resid 19 and name HA
)
( resid 22 and name HB3
) 3.1 1.2 1.2 volume=16598020.000 peak=230 ppm1=4.045 ppm2=1.855
assign ( resid 51 and name HA
)
( resid 52 and name HG3
) 3.8 1.8 1.8 volume=12372879.000 peak=231 ppm1=4.497 ppm2=1.598
assign ( resid 98 and name HB3
)
( resid 98 and name HB2
) 1.8 0.4 0.4 volume=250110384.000 peak=232 ppm1=4.003 ppm2=3.868
assign ( resid 71 and name HA
)
( resid 74 and name HB2
) 3.6 1.6 1.6 volume=10042766.000 peak=233 ppm1=4.008 ppm2=1.609
assign ( resid 79 and name HA
)
( resid 78 and name HA
) 3.8 1.8 1.8 volume=10556988.000 peak=234 ppm1=4.519 ppm2=3.783
assign ( resid 52 and name HG3
)
( resid 52 and name HB2
) 3.5 1.5 1.5 volume=15471701.000 peak=235 ppm1=1.683 ppm2=2.243
assign ( resid 53 and name HD1#
)
( resid 73 and name HA
) 3.0 1.1 1.1 volume=21241222.000 peak=236 ppm1=0.987 ppm2=3.254
assign ( resid 87 and name HB2
)
( resid 66 and name HE#
) 3.3 1.3 1.3 volume=10145628.000 peak=237 ppm1=1.524 ppm2=1.959
assign ( resid 64 and name HD2#
)
( resid 69 and name HD#
) 3.2 1.3 1.3 volume=14914405.000 peak=238 ppm1=0.936 ppm2=7.002
assign ( resid 70 and name HD2#
)
( resid 70 and name HG
) 2.6 0.9 0.9 volume=53403612.000 peak=239 ppm1=0.813 ppm2=1.584
assign ( resid 2 and name HB2
)
( resid 2 and name HA
) 3.5 1.5 1.5 volume=10287448.000 peak=240 ppm1=2.489 ppm2=5.016
assign ( resid 73 and name HG2#
)
( resid 53 and name HG
) 3.5 1.5 1.5 volume=8216276.000 peak=241 ppm1=0.392 ppm2=1.823
assign ( resid 73 and name HG2#
)
( resid 70 and name HA
) 3.6 1.6 1.6 volume=7451091.000 peak=242 ppm1=0.393 ppm2=3.576
assign ( resid 72 and name HB
)
( resid 72 and name HA
) 3.7 1.7 1.7 volume=9147732.000 peak=243 ppm1=2.069 ppm2=3.676
assign ( resid 72 and name HB
)
( resid 69 and name HD#
) 3.9 1.9 1.9 volume=9255511.000 peak=244 ppm1=2.064 ppm2=6.960
assign ( resid 72 and name HB
)
( resid 72 and name HG2#
) 2.7 0.9 0.9 volume=29143654.000 peak=245 ppm1=2.087 ppm2=0.963
assign ( resid 74 and name HA
)
( resid 73 and name HG2#
) 3.5 1.5 1.5 volume=9452488.000 peak=246 ppm1=3.362 ppm2=0.364
assign ( resid 72 and name HG2#
)
( resid 72 and name HG13
) 3.0 1.1 1.1 volume=57298560.000 peak=247 ppm1=0.942 ppm2=1.198
assign ( resid 72 and name HG2#
)
( resid 69 and name HD#
) 3.3 1.4 1.4 volume=26155808.000 peak=248 ppm1=0.939 ppm2=6.938
assign ( resid 37 and name HB
)
( resid 60 and name HG2#
) 3.8 1.8 1.8 volume=7361236.000 peak=249 ppm1=1.684 ppm2=0.911
assign ( resid 104 and name HA
)
( resid 108 and name HB3
) 3.7 1.7 1.7 volume=5951189.000 peak=250 ppm1=4.115 ppm2=3.393
assign ( resid 21 and name HB
)
( resid 18 and name HB2
or resid 22 and name HA
) 3.9 1.9 1.9 volume=6584416.500 peak=251 ppm1=2.066 ppm2=4.266
assign ( resid 10 and name HG2#
)
( resid 10 and name HB
) 2.0 0.5 0.5 volume=191645072.000 peak=252 ppm1=0.949 ppm2=2.083
assign ( resid 26 and name HA
)
( resid 29 and name HD1#
) 2.7 0.9 0.9 volume=24359918.000 peak=253 ppm1=3.303 ppm2=0.922
assign ( resid 26 and name HA
)
( resid 114 and name HE#
) 3.8 1.8 1.8 volume=7230425.500 peak=254 ppm1=3.306 ppm2=7.139
assign ( resid 39 and name HA
)
( resid 114 and name HD#
) 3.6 1.6 1.6 volume=16267956.000 peak=255 ppm1=5.004 ppm2=7.161
assign ( resid 60 and name HG1#
)
( resid 60 and name HB
) 2.4 0.7 0.7 volume=65015756.000 peak=256 ppm1=0.572 ppm2=1.906
assign ( resid 22 and name HA
)
( resid 21 and name HG2#
) 3.5 1.6 1.6 volume=13532626.000 peak=257 ppm1=4.296 ppm2=0.939
assign ( resid 22 and name HA
)
( resid 21 and name HB
) 3.4 1.5 1.5 volume=8386381.500 peak=258 ppm1=4.307 ppm2=2.054
assign ( resid 36 and name HA
)
( resid 36 and name HG2
) 2.9 1.1 1.1 volume=22091148.000 peak=259 ppm1=4.762 ppm2=1.400
assign ( resid 61 and name HA
)
( resid 36 and name HA
) 3.2 1.3 1.3 volume=26839332.000 peak=260 ppm1=4.415 ppm2=4.757
assign ( resid 61 and name HA
)
( resid 61 and name HB2
) 3.2 1.3 1.3 volume=10925234.000 peak=261 ppm1=4.417 ppm2=1.451
assign ( resid 34 and name HA
)
( resid 34 and name HB3
) 2.9 1.1 1.1 volume=66043136.000 peak=262 ppm1=4.517 ppm2=2.402
assign ( resid 34 and name HA
)
( resid 34 and name HB2
) 2.1 0.6 0.6 volume=90652640.000 peak=263 ppm1=4.518 ppm2=1.928
assign ( resid 34 and name HB3
)
( resid 34 and name HB2
) 2.6 0.8 0.8 volume=104173688.000 peak=264 ppm1=2.409 ppm2=1.942
assign ( resid 101 and name HA
)
( resid 104 and name HB
) 2.7 0.9 0.9 volume=35088784.000 peak=265 ppm1=4.351 ppm2=2.247
assign ( resid 83 and name HA
)
( resid 84 and name HB#
) 2.6 0.9 3.4 volume=84072664.000 peak=266 ppm1=4.315 ppm2=1.440
assign ( resid 74 and name HB2
)
( resid 71 and name HA
) 3.7 1.7 1.7 volume=17168596.000 peak=267 ppm1=1.585 ppm2=4.067
assign ( resid 51 and name HA
)
( resid 51 and name HB2
) 2.7 0.9 0.9 volume=113568384.000 peak=268 ppm1=4.484 ppm2=1.864
assign ( resid 51 and name HA
)
( resid 52 and name HD2
) 3.3 1.3 1.3 volume=18392636.000 peak=269 ppm1=4.431 ppm2=3.653
assign ( resid 52 and name HA
)
( resid 52 and name HD2
) 3.2 1.3 1.3 volume=14392348.000 peak=270 ppm1=4.570 ppm2=3.655
assign ( resid 52 and name HA
)
( resid 52 and name HB2
) 2.7 0.9 0.9 volume=55419484.000 peak=271 ppm1=4.588 ppm2=2.268
assign ( resid 52 and name HA
)
( resid 52 and name HB3
) 2.7 0.9 0.9 volume=61848092.000 peak=272 ppm1=4.582 ppm2=2.005
assign ( resid 52 and name HA
)
( resid 52 and name HG2
) 3.4 1.4 1.4 volume=13906817.000 peak=273 ppm1=4.586 ppm2=1.835
assign ( resid 52 and name HA
)
( resid 52 and name HG3
) 3.6 1.6 1.6 volume=11525942.000 peak=274 ppm1=4.591 ppm2=1.569
assign ( resid 51 and name HB2
)
( resid 51 and name HA
) 2.5 0.8 0.8 volume=57917016.000 peak=275 ppm1=1.904 ppm2=4.434
assign ( resid 40 and name HA
)
( resid 57 and name HA
) 3.0 1.1 1.1 volume=23086460.000 peak=276 ppm1=4.666 ppm2=5.064
assign ( resid 40 and name HA
)
( resid 56 and name HG2#
) 3.3 1.4 1.4 volume=27704228.000 peak=277 ppm1=4.660 ppm2=1.288
assign ( resid 40 and name HG2#
)
( resid 56 and name HG2#
) 2.5 0.8 0.8 volume=59807112.000 peak=278 ppm1=0.599 ppm2=1.287
assign ( resid 75 and name HB3
)
( resid 72 and name HA
) 3.6 1.6 1.6 volume=10728475.000 peak=279 ppm1=4.008 ppm2=3.699
assign ( resid 25 and name HA
)
( resid 27 and name HB#
) 3.9 1.9 1.9 volume=16236147.000 peak=280 ppm1=4.140 ppm2=1.497
assign ( resid 25 and name HA
)
( resid 29 and name HD1#
) 3.6 1.6 1.6 volume=8608772.000 peak=281 ppm1=4.139 ppm2=0.931
assign ( resid 62 and name HA
)
( resid 62 and name HB3
) 2.8 1.0 1.0 volume=24214986.000 peak=282 ppm1=3.836 ppm2=2.005
assign ( resid 62 and name HA
)
( resid 102 and name HB#
) 3.0 1.2 1.2 volume=21926534.000 peak=283 ppm1=3.831 ppm2=1.447
assign ( resid 62 and name HB3
)
( resid 62 and name HA
) 3.2 1.3 1.3 volume=27816220.000 peak=284 ppm1=2.040 ppm2=3.856
assign ( resid 62 and name HG2
)
( resid 62 and name HA
) 3.5 1.5 1.5 volume=7048854.000 peak=285 ppm1=2.468 ppm2=3.837
assign ( resid 101 and name HG3
)
( resid 101 and name HB2
) 3.9 1.9 1.9 volume=75480984.000 peak=286 ppm1=2.372 ppm2=1.914
assign ( resid 77 and name HA
)
( resid 53 and name HA
) 2.9 1.1 1.1 volume=22314476.000 peak=287 ppm1=4.354 ppm2=4.639
assign ( resid 85 and name HA
)
( resid 50 and name HD1#
) 2.9 1.1 1.1 volume=30312202.000 peak=288 ppm1=4.604 ppm2=0.916
assign ( resid 51 and name HB2
)
( resid 51 and name HD3
) 3.1 1.2 1.2 volume=12981094.000 peak=289 ppm1=1.865 ppm2=3.883
assign ( resid 51 and name HB2
)
( resid 51 and name HD2
) 3.8 1.8 1.8 volume=5494936.000 peak=290 ppm1=1.866 ppm2=3.542
assign ( resid 51 and name HB3
)
( resid 51 and name HD3
) 4.4 2.5 2.5 volume=8010286.500 peak=291 ppm1=2.514 ppm2=3.868
assign ( resid 51 and name HD2
)
( resid 51 and name HB3
) 3.3 1.4 1.4 volume=20483782.000 peak=292 ppm1=3.529 ppm2=2.498
assign ( resid 119 and name HA
)
( resid 120 and name HB#
) 3.4 1.4 1.4 volume=8729988.000 peak=293 ppm1=6.140 ppm2=1.583
assign ( resid 86 and name HB3
)
( resid 86 and name HA
) 3.6 1.6 1.6 volume=8660577.000 peak=294 ppm1=2.860 ppm2=4.636
assign ( resid 45 and name HA
)
( resid 45 and name HB3
) 3.0 1.1 1.1 volume=13876102.000 peak=295 ppm1=4.443 ppm2=2.324
assign ( resid 61 and name HA
)
( resid 61 and name HD3
) 3.1 1.2 1.2 volume=16141530.000 peak=296 ppm1=4.448 ppm2=4.071
assign ( resid 61 and name HA
)
( resid 61 and name HD3
) 3.0 1.1 1.1 volume=15272812.000 peak=297 ppm1=4.402 ppm2=4.073
assign ( resid 45 and name HB3
)
( resid 45 and name HA
) 2.6 0.8 0.8 volume=104518840.000 peak=298 ppm1=2.307 ppm2=4.430
assign ( resid 19 and name HB3
)
( resid 19 and name HA
) 3.8 1.8 1.8 volume=7086050.000 peak=299 ppm1=1.692 ppm2=4.012
assign ( resid 19 and name HG
)
( resid 19 and name HB3
) 3.4 1.4 1.4 volume=8582972.000 peak=300 ppm1=0.897 ppm2=1.731
assign ( resid 87 and name HD2#
)
( resid 69 and name HE#
) 3.3 1.4 1.4 volume=25687506.000 peak=301 ppm1=0.897 ppm2=6.972
assign ( resid 60 and name HG2#
)
( resid 60 and name HG1#
) 2.1 0.5 0.5 volume=129164648.000 peak=302 ppm1=0.882 ppm2=0.579
assign ( resid 40 and name HG1#
)
( resid 116 and name HE#
) 3.5 1.5 1.5 volume=22059238.000 peak=303 ppm1=-0.370 ppm2=7.137
assign ( resid 101 and name HA
)
( resid 104 and name HB
) 2.9 1.1 1.1 volume=29094916.000 peak=304 ppm1=4.291 ppm2=2.275
assign ( resid 66 and name HA
)
( resid 69 and name HB3
) 3.0 1.1 1.1 volume=35615208.000 peak=305 ppm1=4.583 ppm2=3.191
assign ( resid 70 and name HD1#
)
( resid 70 and name HG
) 2.2 0.6 0.6 volume=87499808.000 peak=306 ppm1=0.778 ppm2=1.577
assign ( resid 27 and name HB#
)
( resid 28 and name HA3
) 3.1 1.2 1.2 volume=16406378.000 peak=307 ppm1=1.514 ppm2=3.958
assign ( resid 34 and name HD2
)
( resid 32 and name HA
) 3.7 1.7 1.7 volume=14809829.000 peak=308 ppm1=3.523 ppm2=3.876
assign ( resid 69 and name HB3
)
( resid 66 and name HA
) 4.0 2.0 2.0 volume=8032443.500 peak=309 ppm1=3.160 ppm2=4.590
assign ( resid 73 and name HA
)
( resid 72 and name HB
) 3.5 1.6 1.6 volume=8584541.000 peak=310 ppm1=3.236 ppm2=2.054
assign ( resid 62 and name HG2
)
( resid 102 and name HB#
) 3.7 1.7 1.7 volume=7370986.000 peak=311 ppm1=2.510 ppm2=1.446
assign ( resid 51 and name HD2
)
( resid 51 and name HA
) 3.4 1.5 1.5 volume=17247430.000 peak=312 ppm1=3.521 ppm2=4.536
assign ( resid 21 and name HB
)
( resid 18 and name HA
) 3.7 1.7 1.7 volume=4847626.000 peak=313 ppm1=2.115 ppm2=4.372
assign ( resid 73 and name HG2#
)
( resid 74 and name HA
) 3.6 1.6 1.6 volume=9732685.000 peak=314 ppm1=0.390 ppm2=3.364
assign ( resid 31 and name HB#
)
( resid 28 and name HA3
or resid 32 and name HA
) 2.7 0.9 0.9 volume=52529248.000 peak=315 ppm1=1.460 ppm2=3.925
assign ( resid 20 and name HB#
)
( resid 20 and name HA
) 2.1 0.6 0.6 volume=160763184.000 peak=316 ppm1=1.444 ppm2=4.281
assign ( resid 21 and name HA
)
( resid 20 and name HB#
) 3.2 1.2 1.2 volume=14940784.000 peak=317 ppm1=3.918 ppm2=1.454
assign ( resid 118 and name HG2#
)
( resid 44 and name HA
) 2.5 0.8 0.8 volume=38839480.000 peak=318 ppm1=1.283 ppm2=4.440
assign ( resid 18 and name HB3
)
( resid 21 and name HB
) 3.6 1.6 1.6 volume=6980988.000 peak=319 ppm1=4.047 ppm2=2.081
assign ( resid 66 and name HA
)
( resid 101 and name HE#
) 2.8 1.0 1.0 volume=35717620.000 peak=320 ppm1=4.592 ppm2=1.335
assign ( resid 36 and name HB2
)
( resid 59 and name HB2
) 3.3 1.4 1.4 volume=7982748.500 peak=321 ppm1=1.632 ppm2=1.026
assign ( resid 73 and name HB
)
( resid 85 and name HE#
) 3.8 1.8 1.8 volume=6522920.000 peak=322 ppm1=1.556 ppm2=6.787
assign ( resid 40 and name HB
)
( resid 116 and name HD#
) 3.9 1.9 1.9 volume=7465974.000 peak=323 ppm1=1.299 ppm2=7.245
assign ( resid 89 and name HB
)
( resid 108 and name HD#
) 3.6 1.6 1.6 volume=8981786.000 peak=324 ppm1=1.634 ppm2=7.418
assign ( resid 96 and name HB3
)
( resid 99 and name HB#
) 3.2 1.3 1.3 volume=19169884.000 peak=325 ppm1=3.884 ppm2=1.499
assign ( resid 64 and name HB3
)
( resid 64 and name HG
) 3.3 1.3 1.3 volume=12933110.000 peak=326 ppm1=1.580 ppm2=1.947
assign ( resid 64 and name HD2#
)
( resid 69 and name HB3
) 3.5 1.5 1.5 volume=9170842.000 peak=327 ppm1=0.895 ppm2=3.236
assign ( resid 29 and name HG2#
)
( resid 38 and name HB2
) 3.1 1.2 1.2 volume=34423520.000 peak=328 ppm1=0.995 ppm2=2.219
assign ( resid 3 and name HD2
)
( resid 3 and name HD3
) 1.8 0.4 0.4 volume=482807648.000 peak=329 ppm1=3.692 ppm2=3.903
assign ( resid 28 and name HA3
)
( resid 31 and name HB#
) 3.2 1.2 1.2 volume=15196416.000 peak=330 ppm1=3.984 ppm2=1.470
assign ( resid 61 and name HD3
)
( resid 60 and name HB
) 3.9 1.9 1.9 volume=10956433.000 peak=331 ppm1=4.072 ppm2=1.879
assign ( resid 61 and name HD3
)
( resid 60 and name HA
) 3.2 1.3 1.3 volume=9418134.000 peak=332 ppm1=4.079 ppm2=4.779
assign ( resid 57 and name HG2
)
( resid 40 and name HG1#
) 3.6 1.6 1.6 volume=8608429.000 peak=333 ppm1=1.056 ppm2=-0.377
assign ( resid 62 and name HB3
)
( resid 62 and name HA
) 3.1 1.2 1.2 volume=18945068.000 peak=334 ppm1=1.991 ppm2=3.882
assign ( resid 18 and name HA
)
( resid 21 and name HB
) 5.4 3.7 3.7 volume=4995859.500 peak=335 ppm1=4.384 ppm2=2.095
assign ( resid 120 and name HB#
)
( resid 44 and name HB3
) 3.1 1.2 1.2 volume=37075680.000 peak=336 ppm1=1.522 ppm2=3.111
assign ( resid 120 and name HB#
)
( resid 44 and name HB2
) 3.1 1.2 1.2 volume=21957158.000 peak=337 ppm1=1.519 ppm2=2.803
assign ( resid 65 and name HA
)
( resid 100 and name HA
) 2.7 0.9 0.9 volume=51762352.000 peak=338 ppm1=5.085 ppm2=4.965
assign ( resid 3 and name HB2
)
( resid 3 and name HB3
) 1.7 0.4 0.4 volume=419764640.000 peak=339 ppm1=1.911 ppm2=2.370
assign ( resid 84 and name HA
)
( resid 85 and name HD#
) 4.6 2.6 2.6 volume=7752860.500 peak=340 ppm1=4.203 ppm2=6.968
assign ( resid 23 and name HA
)
( resid 23 and name HB2
) 2.4 0.7 0.7 volume=48067540.000 peak=341 ppm1=4.370 ppm2=1.962
assign ( resid 26 and name HG2#
)
( resid 23 and name HA
) 3.6 1.6 1.6 volume=7149732.000 peak=342 ppm1=0.181 ppm2=4.375
assign ( resid 36 and name HA
)
( resid 61 and name HA
) 2.9 1.1 1.1 volume=25915192.000 peak=343 ppm1=4.762 ppm2=4.448
assign ( resid 53 and name HA
)
( resid 53 and name HD2#
) 2.5 0.8 0.8 volume=33752776.000 peak=344 ppm1=4.643 ppm2=0.896
assign ( resid 96 and name HB2
)
( resid 99 and name HB#
) 3.1 1.2 1.2 volume=18621820.000 peak=345 ppm1=3.977 ppm2=1.507
assign ( resid 3 and name HD3
)
( resid 3 and name HD2
) 2.4 0.7 0.7 volume=227521888.000 peak=346 ppm1=3.900 ppm2=3.670
assign ( resid 41 and name HG1#
)
( resid 73 and name HG12
) 3.0 1.2 1.2 volume=24952818.000 peak=347 ppm1=0.893 ppm2=0.356
assign ( resid 51 and name HD3
)
( resid 50 and name HB3
) 3.3 1.3 1.3 volume=12842669.000 peak=348 ppm1=3.887 ppm2=1.686
assign ( resid 50 and name HA
)
( resid 51 and name HD2
) 3.0 1.1 1.1 volume=18743780.000 peak=349 ppm1=4.421 ppm2=3.606
assign ( resid 50 and name HA
)
( resid 51 and name HD3
) 3.0 1.1 1.1 volume=15041495.000 peak=350 ppm1=4.415 ppm2=3.780
assign ( resid 26 and name HG2#
)
( resid 25 and name HB2
) 3.5 1.6 1.6 volume=10538690.000 peak=351 ppm1=0.175 ppm2=2.423
assign ( resid 26 and name HB
)
( resid 23 and name HA
) 3.4 1.4 1.4 volume=18196026.000 peak=352 ppm1=1.955 ppm2=4.350
assign ( resid 37 and name HG2#
)
( resid 101 and name HB2
or resid 115 and name HB
) 4.0 2.0 2.0 volume=13028858.000 peak=353 ppm1=0.490 ppm2=2.007
assign ( resid 122 and name HA
)
( resid 86 and name HE#
) 2.7 0.9 0.9 volume=28595968.000 peak=354 ppm1=4.421 ppm2=6.654
assign ( resid 51 and name HG2
)
( resid 51 and name HB3
) 2.8 1.0 1.0 volume=27559520.000 peak=355 ppm1=1.990 ppm2=2.506
assign ( resid 51 and name HG2
)
( resid 51 and name HD2
) 3.1 1.2 1.2 volume=16806092.000 peak=356 ppm1=1.986 ppm2=3.516
assign ( resid 22 and name HB2
)
( resid 19 and name HA
) 5.9 4.4 4.4 volume=1559820.250 peak=357 ppm1=1.939 ppm2=4.020
assign ( resid 23 and name HG2
)
( resid 23 and name HB2
) 3.9 1.9 1.9 volume=7798793.500 peak=358 ppm1=2.531 ppm2=1.981
assign ( resid 65 and name HG2#
)
( resid 68 and name HG3
) 3.1 1.2 1.2 volume=21083252.000 peak=359 ppm1=1.287 ppm2=2.442
assign ( resid 53 and name HD2#
)
( resid 77 and name HA
) 2.5 0.8 0.8 volume=65062140.000 peak=360 ppm1=0.863 ppm2=4.336
assign ( resid 66 and name HE#
)
( resid 87 and name HD2#
) 1.8 0.4 0.4 volume=394815776.000 peak=361 ppm1=1.985 ppm2=0.895
assign ( resid 119 and name HA
)
( resid 87 and name HD1#
) 3.5 1.5 1.5 volume=24526920.000 peak=362 ppm1=6.159 ppm2=0.908
assign ( resid 23 and name HB2
)
( resid 20 and name HA
) 3.9 1.9 1.9 volume=10893259.000 peak=363 ppm1=1.993 ppm2=4.314
assign ( resid 23 and name HB2
)
( resid 23 and name HA
) 3.0 1.1 1.1 volume=16206753.000 peak=364 ppm1=1.994 ppm2=4.354
assign ( resid 60 and name HG1#
)
( resid 60 and name HG2#
) 2.1 0.6 0.6 volume=133625424.000 peak=365 ppm1=0.576 ppm2=0.923
assign ( resid 52 and name HG3
)
( resid 52 and name HB3
) 3.0 1.1 1.1 volume=22702776.000 peak=366 ppm1=1.573 ppm2=2.040
assign ( resid 60 and name HG1#
)
( resid 69 and name HE#
or resid 69 and name HD#
) 2.7 0.9 0.9 volume=28137740.000 peak=367 ppm1=0.574 ppm2=6.977
assign ( resid 106 and name HA
)
( resid 106 and name HD2
) 3.3 1.4 1.4 volume=19867324.000 peak=368 ppm1=3.812 ppm2=3.103
assign ( resid 87 and name HD1#
)
( resid 119 and name HB2
) 2.7 0.9 0.9 volume=53799548.000 peak=369 ppm1=0.882 ppm2=2.399
assign ( resid 87 and name HD1#
)
( resid 119 and name HB3
) 2.6 0.9 0.9 volume=37478472.000 peak=370 ppm1=0.883 ppm2=2.605
assign ( resid 41 and name HG1#
)
( resid 73 and name HG13
) 3.6 1.7 1.7 volume=8389990.000 peak=371 ppm1=0.869 ppm2=0.139
assign ( resid 83 and name HB3
)
( resid 81 and name HB#
or resid 84 and name HB#
) 3.5 1.5 1.5 volume=11435847.000 peak=372 ppm1=2.102 ppm2=1.458
assign ( resid 66 and name HE#
)
( resid 87 and name HB2
or resid 87 and name HG
) 2.2 0.6 0.6 volume=94970872.000 peak=373 ppm1=1.985 ppm2=1.549
assign ( resid 26 and name HG2#
)
( resid 114 and name HD#
or resid 114 and name HE#
) 2.7 0.9 0.9 volume=26471218.000 peak=374 ppm1=0.176 ppm2=7.119
assign ( resid 26 and name HG1#
)
( resid 113 and name HA3
) 2.5 0.8 0.8 volume=41677012.000 peak=375 ppm1=0.826 ppm2=4.539
assign ( resid 21 and name HA
)
( resid 24 and name HB3
or resid 24 and name HG3
) 2.6 0.8 0.8 volume=47716440.000 peak=376 ppm1=3.917 ppm2=2.230
assign ( resid 117 and name HA
)
( resid 89 and name HG2#
or resid 89 and name HG1#
) 2.9 1.0 1.0 volume=18345676.000 peak=377 ppm1=5.635 ppm2=0.678
assign ( resid 124 and name HG2#
)
( resid 124 and name HA
) 2.0 0.5 0.5 volume=135497040.000 peak=378 ppm1=0.957 ppm2=4.211
assign ( resid 89 and name HG1#
)
( resid 90 and name HB3
) 3.6 1.6 1.6 volume=13690551.000 peak=379 ppm1=0.636 ppm2=3.285
assign ( resid 29 and name HG2#
)
( resid 38 and name HB3
) 2.9 1.0 1.0 volume=43194248.000 peak=380 ppm1=0.977 ppm2=1.632
assign ( resid 104 and name HD1#
)
( resid 104 and name HA
) 2.6 0.8 0.8 volume=40659344.000 peak=381 ppm1=0.872 ppm2=4.126
assign ( resid 40 and name HG2#
)
( resid 116 and name HE#
or resid 116 and name HD#
) 2.6 0.9 0.9 volume=29251290.000 peak=382 ppm1=0.597 ppm2=7.250
assign ( resid 112 and name HA
)
( resid 19 and name HD2#
) 2.7 0.9 0.9 volume=33350290.000 peak=383 ppm1=4.315 ppm2=1.018
assign ( resid 60 and name HG2#
)
( resid 101 and name HG3
) 2.5 0.8 0.8 volume=36739148.000 peak=384 ppm1=0.875 ppm2=2.434
assign ( resid 20 and name HA
)
( resid 19 and name HB3
) 4.3 2.3 2.3 volume=7086286.500 peak=385 ppm1=4.309 ppm2=1.664
assign ( resid 68 and name HB3
)
( resid 64 and name HD2#
) 3.1 1.2 1.2 volume=11331939.000 peak=386 ppm1=2.034 ppm2=0.934
assign ( resid 64 and name HD2#
)
( resid 69 and name HA
) 2.7 0.9 0.9 volume=26191718.000 peak=387 ppm1=0.899 ppm2=4.531
assign ( resid 101 and name HG3
)
( resid 64 and name HB3
) 2.9 1.0 1.0 volume=19119610.000 peak=388 ppm1=2.366 ppm2=1.707
assign ( resid 77 and name HA
)
( resid 53 and name HD2#
) 2.3 0.6 0.6 volume=65076124.000 peak=389 ppm1=4.334 ppm2=0.885
assign ( resid 73 and name HG2#
)
( resid 53 and name HD1#
) 2.2 0.6 0.6 volume=69025144.000 peak=390 ppm1=0.391 ppm2=0.884
assign ( resid 99 and name HB#
)
( resid 104 and name HA
) 3.4 1.4 1.4 volume=10425933.000 peak=391 ppm1=1.515 ppm2=4.111
assign ( resid 89 and name HG2#
)
( resid 117 and name HG3
) 3.9 1.9 1.9 volume=12236595.000 peak=392 ppm1=0.715 ppm2=2.483
assign ( resid 115 and name HG1#
)
( resid 105 and name HA
) 3.3 1.4 1.4 volume=12956591.000 peak=393 ppm1=1.007 ppm2=3.969
assign ( resid 37 and name HB
)
( resid 37 and name HG2#
) 3.4 1.4 1.4 volume=13764261.000 peak=394 ppm1=1.677 ppm2=0.503
assign ( resid 36 and name HG2
)
( resid 33 and name HB2
) 3.6 1.6 1.6 volume=13676127.000 peak=395 ppm1=1.396 ppm2=2.813
assign ( resid 115 and name HG1#
)
( resid 105 and name HB3
) 3.8 1.9 1.9 volume=8171085.500 peak=396 ppm1=0.988 ppm2=3.133
assign ( resid 78 and name HG1#
)
( resid 78 and name HA
) 2.1 0.6 0.6 volume=92504352.000 peak=397 ppm1=0.940 ppm2=3.786
assign ( resid 99 and name HB#
)
( resid 66 and name HG3
or resid 103 and name HB3
) 2.8 1.0 1.0 volume=27893178.000 peak=398 ppm1=1.503 ppm2=2.513
assign ( resid 59 and name HD1#
)
( resid 59 and name HA
) 2.7 0.9 0.9 volume=41891488.000 peak=399 ppm1=0.584 ppm2=4.952
assign ( resid 59 and name HD2#
)
( resid 59 and name HG
) 2.2 0.6 0.6 volume=106540232.000 peak=400 ppm1=0.651 ppm2=1.345
assign ( resid 50 and name HD1#
)
( resid 121 and name HA
) 3.8 1.8 1.8 volume=13073855.000 peak=401 ppm1=0.983 ppm2=4.742
assign ( resid 99 and name HB#
)
( resid 99 and name HA
) 2.1 0.6 0.6 volume=102260400.000 peak=402 ppm1=1.502 ppm2=4.399
assign ( resid 59 and name HG
)
( resid 59 and name HD1#
or resid 59 and name HD2#
) 2.4 0.7 0.7 volume=58384272.000 peak=403 ppm1=1.354 ppm2=0.612
assign ( resid 88 and name HG
)
( resid 88 and name HD1#
or resid 88 and name HD2#
) 2.1 0.6 0.6 volume=82651776.000 peak=404 ppm1=1.263 ppm2=0.448
assign ( resid 110 and name H
)
( resid 116 and name HD#
) 3.0 1.1 1.1 volume=92961.688 peak=405 ppm1=9.234 ppm2=7.193
assign ( resid 101 and name H
)
( resid 64 and name HB3
) 3.4 1.4 1.4 volume=146652.766 peak=406 ppm1=8.867 ppm2=1.608
assign ( resid 36 and name H
)
( resid 33 and name HD#
) 3.6 1.7 1.7 volume=57878.508 peak=407 ppm1=7.561 ppm2=7.324
assign ( resid 107 and name H
)
( resid 108 and name HE#
) 3.4 1.5 1.5 volume=79538.680 peak=408 ppm1=7.542 ppm2=6.910
assign ( resid 47 and name H
)
( resid 44 and name HE#
) 3.8 1.8 1.8 volume=58097.523 peak=409 ppm1=7.893 ppm2=6.562
assign ( resid 49 and name H
)
( resid 47 and name HG3
) 3.7 1.8 1.8 volume=42540.422 peak=410 ppm1=8.240 ppm2=2.504
assign ( resid 64 and name H
)
( resid 101 and name H
) 3.9 1.9 1.9 volume=42793.438 peak=411 ppm1=7.428 ppm2=8.891
assign ( resid 39 and name H
)
( resid 114 and name HD#
) 3.5 1.5 1.5 volume=60301.668 peak=412 ppm1=8.973 ppm2=7.097
assign ( resid 120 and name H
)
( resid 87 and name HA
) 3.7 1.7 1.7 volume=57097.457 peak=413 ppm1=8.518 ppm2=5.261
assign ( resid 99 and name H
)
( resid 66 and name HB3
) 4.0 2.0 2.0 volume=79629.297 peak=414 ppm1=7.193 ppm2=2.099
assign ( resid 44 and name H
)
( resid 43 and name HB3
or resid 43 and name HB2
) 3.6 1.6 1.6 volume=53827.832 peak=415 ppm1=8.766 ppm2=1.770
assign ( resid 44 and name H
)
( resid 120 and name HB#
) 3.2 1.3 1.3 volume=65085.305 peak=416 ppm1=8.764 ppm2=1.531
assign ( resid 40 and name H
)
( resid 116 and name HD#
) 3.4 1.4 1.4 volume=63815.461 peak=417 ppm1=8.953 ppm2=7.246
assign ( resid 40 and name H
)
( resid 117 and name H
) 3.5 1.5 1.5 volume=60452.695 peak=418 ppm1=8.944 ppm2=9.567
assign ( resid 40 and name H
)
( resid 116 and name HA
) 3.0 1.1 1.1 volume=310954.469 peak=419 ppm1=8.946 ppm2=5.062
assign ( resid 116 and name H
)
( resid 115 and name HA
) 3.0 1.1 1.1 volume=146543.781 peak=420 ppm1=9.330 ppm2=4.808
assign ( resid 116 and name H
)
( resid 115 and name HG1#
or resid 115 and name HG2#
) 2.9 1.1 1.1 volume=162466.156 peak=421 ppm1=9.332 ppm2=1.008
assign ( resid 41 and name H
)
( resid 58 and name HD#
) 3.7 1.7 1.7 volume=94558.438 peak=422 ppm1=9.187 ppm2=7.294
assign ( resid 41 and name H
)
( resid 56 and name HG2#
) 3.2 1.3 1.3 volume=110173.188 peak=423 ppm1=9.187 ppm2=1.279
assign ( resid 84 and name H
)
( resid 85 and name H
) 3.2 1.3 1.3 volume=108281.547 peak=424 ppm1=8.518 ppm2=7.392
assign ( resid 41 and name H
)
( resid 41 and name HA
) 2.9 1.1 1.1 volume=116351.836 peak=425 ppm1=9.187 ppm2=5.020
assign ( resid 41 and name H
)
( resid 56 and name HA
) 2.9 1.1 1.1 volume=262364.688 peak=426 ppm1=9.185 ppm2=4.748
assign ( resid 90 and name H
)
( resid 91 and name H
) 2.9 1.0 1.0 volume=127345.289 peak=427 ppm1=9.552 ppm2=8.750
assign ( resid 90 and name H
)
( resid 117 and name HA
) 3.3 1.4 1.4 volume=83930.320 peak=428 ppm1=9.554 ppm2=5.628
assign ( resid 90 and name H
)
( resid 89 and name HA
) 2.2 0.6 0.6 volume=448771.344 peak=429 ppm1=9.555 ppm2=4.453
assign ( resid 39 and name H
)
( resid 38 and name HB2
) 3.3 1.3 1.3 volume=82128.773 peak=430 ppm1=8.966 ppm2=2.191
assign ( resid 39 and name H
)
( resid 60 and name H
) 3.5 1.5 1.5 volume=59568.328 peak=431 ppm1=8.974 ppm2=8.624
assign ( resid 39 and name H
)
( resid 38 and name HA
) 2.5 0.8 0.8 volume=412955.750 peak=432 ppm1=8.967 ppm2=5.111
assign ( resid 111 and name H
)
( resid 110 and name H
) 3.4 1.4 1.4 volume=64928.461 peak=433 ppm1=8.850 ppm2=9.234
assign ( resid 111 and name H
)
( resid 110 and name HA
) 2.1 0.6 0.6 volume=789636.312 peak=434 ppm1=8.850 ppm2=4.766
assign ( resid 111 and name H
)
( resid 110 and name HB2
) 3.1 1.2 1.2 volume=85436.562 peak=435 ppm1=8.850 ppm2=3.771
assign ( resid 110 and name H
)
( resid 109 and name HA
) 2.6 0.8 0.8 volume=289269.219 peak=436 ppm1=9.234 ppm2=4.090
assign ( resid 110 and name H
)
( resid 109 and name HG2
or resid 109 and name HB3
) 2.8 1.0 1.0 volume=189373.781 peak=437 ppm1=9.232 ppm2=1.355
assign ( resid 99 and name H
)
( resid 100 and name H
) 3.3 1.4 1.4 volume=96814.852 peak=438 ppm1=7.200 ppm2=8.362
assign ( resid 99 and name H
)
( resid 97 and name H
) 3.5 1.5 1.5 volume=68745.961 peak=439 ppm1=7.198 ppm2=8.821
assign ( resid 99 and name H
)
( resid 98 and name H
) 2.4 0.7 0.7 volume=384065.344 peak=440 ppm1=7.197 ppm2=8.093
assign ( resid 97 and name H
)
( resid 96 and name HB3
or resid 96 and name HB2
) 3.0 1.1 1.1 volume=149464.062 peak=441 ppm1=8.820 ppm2=3.940
assign ( resid 49 and name H
)
( resid 50 and name H
) 3.2 1.3 1.3 volume=75226.328 peak=442 ppm1=8.233 ppm2=9.565
assign ( resid 58 and name H
)
( resid 39 and name H
) 3.4 1.5 1.5 volume=59495.746 peak=443 ppm1=9.825 ppm2=8.962
assign ( resid 58 and name H
)
( resid 57 and name HA
) 2.4 0.7 0.7 volume=333376.906 peak=444 ppm1=9.826 ppm2=5.062
assign ( resid 58 and name H
)
( resid 40 and name HA
) 2.8 1.0 1.0 volume=161569.344 peak=445 ppm1=9.825 ppm2=4.678
assign ( resid 58 and name H
)
( resid 57 and name HB2
) 2.9 1.0 1.0 volume=178443.484 peak=446 ppm1=9.822 ppm2=1.614
assign ( resid 81 and name H
)
( resid 80 and name HA
) 2.2 0.6 0.6 volume=587149.938 peak=447 ppm1=8.598 ppm2=4.266
assign ( resid 49 and name H
)
( resid 48 and name H
) 2.9 1.1 1.1 volume=137703.688 peak=448 ppm1=8.234 ppm2=8.889
assign ( resid 49 and name H
)
( resid 48 and name HG2#
) 3.4 1.5 1.5 volume=67680.172 peak=449 ppm1=8.228 ppm2=1.127
assign ( resid 29 and name H
)
( resid 30 and name H
) 2.8 1.0 1.0 volume=199537.500 peak=450 ppm1=7.965 ppm2=8.709
assign ( resid 29 and name H
)
( resid 27 and name H
) 3.6 1.6 1.6 volume=67525.555 peak=451 ppm1=7.962 ppm2=8.260
assign ( resid 29 and name H
)
( resid 26 and name HA
) 3.0 1.1 1.1 volume=117837.117 peak=452 ppm1=7.966 ppm2=3.313
assign ( resid 29 and name H
)
( resid 27 and name HB#
) 3.0 1.1 3.0 volume=119059.977 peak=453 ppm1=7.967 ppm2=1.486
assign ( resid 19 and name H
)
( resid 20 and name HB#
) 3.0 1.1 1.1 volume=138936.734 peak=454 ppm1=8.699 ppm2=1.449
assign ( resid 19 and name H
)
( resid 18 and name HA
) 2.4 0.7 0.7 volume=392710.375 peak=455 ppm1=8.695 ppm2=4.364
assign ( resid 19 and name H
)
( resid 19 and name HB3
) 2.7 0.9 0.9 volume=198571.469 peak=456 ppm1=8.694 ppm2=1.682
assign ( resid 72 and name H
)
( resid 73 and name H
) 2.8 1.0 1.0 volume=186182.016 peak=457 ppm1=7.466 ppm2=7.691
assign ( resid 72 and name H
)
( resid 69 and name HA
) 3.2 1.3 1.3 volume=118452.766 peak=458 ppm1=7.469 ppm2=4.454
assign ( resid 72 and name H
)
( resid 71 and name HB2
or resid 71 and name HA
) 2.6 0.8 0.8 volume=272433.719 peak=459 ppm1=7.468 ppm2=4.006
assign ( resid 72 and name H
)
( resid 72 and name HA
) 2.7 0.9 0.9 volume=198911.438 peak=460 ppm1=7.468 ppm2=3.687
assign ( resid 72 and name H
)
( resid 72 and name HB
) 2.5 0.8 0.8 volume=320376.375 peak=461 ppm1=7.469 ppm2=2.072
assign ( resid 1 and name H
)
( resid 1 and name HA
) 2.0 0.5 4.0 volume=1700600.000 peak=462 ppm1=8.520 ppm2=4.830
assign ( resid 88 and name H
)
( resid 118 and name H
) 3.6 1.6 1.6 volume=56752.238 peak=463 ppm1=9.193 ppm2=9.023
assign ( resid 86 and name H
)
( resid 86 and name HA
) 2.7 0.9 0.9 volume=242733.766 peak=464 ppm1=8.775 ppm2=4.633
assign ( resid 86 and name H
)
( resid 85 and name HB3
) 2.8 1.0 1.0 volume=151759.750 peak=465 ppm1=8.773 ppm2=2.833
assign ( resid 86 and name H
)
( resid 120 and name HB#
) 4.0 2.0 2.0 volume=60918.539 peak=466 ppm1=8.772 ppm2=1.537
assign ( resid 25 and name H
)
( resid 24 and name H
) 2.7 0.9 0.9 volume=241853.500 peak=467 ppm1=8.394 ppm2=8.120
assign ( resid 25 and name H
)
( resid 25 and name HA
) 2.3 0.7 0.7 volume=431148.438 peak=468 ppm1=8.395 ppm2=4.158
assign ( resid 69 and name H
)
( resid 66 and name HA
) 2.7 0.9 0.9 volume=139869.594 peak=469 ppm1=9.014 ppm2=4.566
assign ( resid 69 and name H
)
( resid 68 and name HA
) 3.3 1.4 1.4 volume=89304.297 peak=470 ppm1=9.015 ppm2=4.120
assign ( resid 69 and name H
)
( resid 68 and name HB3
) 3.2 1.3 1.3 volume=148807.625 peak=471 ppm1=9.014 ppm2=2.051
assign ( resid 69 and name H
)
( resid 70 and name HB2
) 3.2 1.2 1.2 volume=82630.180 peak=472 ppm1=9.013 ppm2=1.683
assign ( resid 22 and name H
)
( resid 21 and name HA
) 3.0 1.1 1.1 volume=109125.445 peak=473 ppm1=8.413 ppm2=3.946
assign ( resid 22 and name H
)
( resid 21 and name HG13
) 2.8 1.0 3.2 volume=159335.188 peak=474 ppm1=8.411 ppm2=1.560
assign ( resid 27 and name H
)
( resid 28 and name H
) 2.6 0.9 0.9 volume=239010.125 peak=475 ppm1=8.239 ppm2=8.000
assign ( resid 27 and name H
)
( resid 26 and name HA
) 3.5 1.5 1.5 volume=95973.094 peak=476 ppm1=8.236 ppm2=3.313
assign ( resid 27 and name H
)
( resid 26 and name HB
) 2.5 0.8 0.8 volume=311371.031 peak=477 ppm1=8.238 ppm2=1.939
assign ( resid 27 and name H
)
( resid 27 and name HB#
) 2.2 0.6 0.6 volume=831143.750 peak=478 ppm1=8.237 ppm2=1.500
assign ( resid 27 and name H
)
( resid 26 and name HG2#
) 3.0 1.1 1.1 volume=118023.297 peak=479 ppm1=8.233 ppm2=0.189
assign ( resid 53 and name H
)
( resid 52 and name HB2
) 2.9 1.1 1.1 volume=150646.453 peak=480 ppm1=8.011 ppm2=2.248
assign ( resid 53 and name H
)
( resid 54 and name H
) 3.4 1.4 1.4 volume=77309.578 peak=481 ppm1=8.007 ppm2=8.647
assign ( resid 53 and name H
)
( resid 52 and name HA
) 2.4 0.7 0.7 volume=334039.875 peak=482 ppm1=8.009 ppm2=4.580
assign ( resid 83 and name H
)
( resid 82 and name H
) 2.7 0.9 0.9 volume=183995.375 peak=483 ppm1=7.844 ppm2=7.561
assign ( resid 83 and name H
)
( resid 82 and name HA
) 2.4 0.7 0.7 volume=310198.594 peak=484 ppm1=7.846 ppm2=4.260
assign ( resid 83 and name H
)
( resid 81 and name HB#
) 3.0 1.1 1.1 volume=113629.453 peak=485 ppm1=7.844 ppm2=1.446
assign ( resid 83 and name H
)
( resid 82 and name HG2#
) 3.2 1.3 1.3 volume=80570.727 peak=486 ppm1=7.841 ppm2=1.186
assign ( resid 60 and name H
)
( resid 59 and name HB2
) 3.8 1.8 1.8 volume=141269.156 peak=487 ppm1=8.635 ppm2=1.033
assign ( resid 60 and name H
)
( resid 59 and name HA
) 2.4 0.7 0.7 volume=364331.062 peak=488 ppm1=8.633 ppm2=4.923
assign ( resid 37 and name H
)
( resid 36 and name HA
) 2.7 0.9 0.9 volume=209147.594 peak=489 ppm1=9.307 ppm2=4.755
assign ( resid 37 and name H
)
( resid 36 and name HB2
) 2.8 1.0 1.0 volume=213155.891 peak=490 ppm1=9.306 ppm2=1.643
assign ( resid 37 and name H
)
( resid 37 and name HG12
or resid 60 and name HG2#
) 2.9 1.1 1.1 volume=93695.211 peak=491 ppm1=9.308 ppm2=0.892
assign ( resid 37 and name H
)
( resid 60 and name H
) 3.2 1.3 1.3 volume=99641.531 peak=492 ppm1=9.306 ppm2=8.632
assign ( resid 80 and name H
)
( resid 79 and name HA
) 2.4 0.7 0.7 volume=394401.219 peak=493 ppm1=8.903 ppm2=4.516
assign ( resid 80 and name H
)
( resid 80 and name HA
) 2.9 1.0 1.0 volume=224963.672 peak=494 ppm1=8.904 ppm2=4.284
assign ( resid 80 and name H
)
( resid 80 and name HB3
) 2.4 0.7 0.7 volume=342799.000 peak=495 ppm1=8.903 ppm2=1.731
assign ( resid 80 and name H
)
( resid 81 and name H
) 3.5 1.5 1.5 volume=59705.871 peak=496 ppm1=8.898 ppm2=8.622
assign ( resid 60 and name H
)
( resid 38 and name HA
) 3.8 1.8 1.8 volume=49370.312 peak=497 ppm1=8.638 ppm2=5.124
assign ( resid 42 and name H
)
( resid 41 and name HA
) 2.7 0.9 0.9 volume=214805.906 peak=498 ppm1=8.300 ppm2=4.934
assign ( resid 125 and name H
)
( resid 124 and name HG2#
) 3.2 1.3 1.3 volume=188049.453 peak=499 ppm1=8.291 ppm2=0.963
assign ( resid 125 and name H
)
( resid 124 and name HB
) 3.1 1.2 1.2 volume=142883.406 peak=500 ppm1=8.288 ppm2=4.008
assign ( resid 47 and name H
)
( resid 44 and name HB3
) 3.5 1.5 1.5 volume=66626.680 peak=501 ppm1=7.892 ppm2=3.121
assign ( resid 47 and name H
)
( resid 44 and name HB2
) 3.5 1.5 1.5 volume=84259.797 peak=502 ppm1=7.893 ppm2=2.760
assign ( resid 47 and name H
)
( resid 47 and name HB3
or resid 47 and name HB2
) 2.8 1.0 1.0 volume=202975.672 peak=503 ppm1=7.895 ppm2=2.285
assign ( resid 47 and name H
)
( resid 44 and name HD#
) 3.5 1.5 1.5 volume=147324.297 peak=504 ppm1=7.891 ppm2=7.068
assign ( resid 47 and name H
)
( resid 46 and name H
) 3.0 1.1 1.1 volume=125017.320 peak=505 ppm1=7.893 ppm2=5.497
assign ( resid 47 and name H
)
( resid 46 and name HA
) 3.0 1.1 1.1 volume=94943.594 peak=506 ppm1=7.891 ppm2=4.334
assign ( resid 64 and name H
)
( resid 61 and name HB3
or resid 61 and name HB2
) 3.2 1.3 1.3 volume=94897.359 peak=507 ppm1=7.425 ppm2=1.305
assign ( resid 64 and name H
)
( resid 64 and name HA
) 2.5 0.8 0.8 volume=317621.812 peak=508 ppm1=7.424 ppm2=4.312
assign ( resid 64 and name H
)
( resid 63 and name HB3
) 3.0 1.1 1.1 volume=222895.516 peak=509 ppm1=7.422 ppm2=2.077
assign ( resid 10 and name H
)
( resid 10 and name HA
) 2.3 0.7 0.7 volume=669211.250 peak=510 ppm1=8.184 ppm2=4.193
assign ( resid 64 and name H
)
( resid 65 and name H
) 3.1 1.2 1.2 volume=180220.391 peak=511 ppm1=7.422 ppm2=8.573
assign ( resid 68 and name H
)
( resid 69 and name H
) 2.9 1.0 1.0 volume=149800.469 peak=512 ppm1=7.630 ppm2=8.998
assign ( resid 68 and name H
)
( resid 65 and name H
) 3.2 1.3 1.3 volume=106546.047 peak=513 ppm1=7.630 ppm2=8.574
assign ( resid 68 and name H
)
( resid 68 and name HA
) 2.6 0.8 0.8 volume=325041.062 peak=514 ppm1=7.634 ppm2=4.098
assign ( resid 68 and name H
)
( resid 67 and name HG2#
) 2.6 0.9 0.9 volume=219949.641 peak=515 ppm1=7.633 ppm2=1.274
assign ( resid 79 and name H
)
( resid 78 and name HA
) 2.6 0.8 0.8 volume=410740.000 peak=516 ppm1=7.620 ppm2=3.783
assign ( resid 79 and name H
)
( resid 78 and name HB
) 3.1 1.2 1.2 volume=123118.531 peak=517 ppm1=7.624 ppm2=2.250
assign ( resid 79 and name H
)
( resid 79 and name HA
) 2.7 0.9 0.9 volume=216650.844 peak=518 ppm1=7.620 ppm2=4.523
assign ( resid 79 and name H
)
( resid 77 and name HA
) 3.2 1.3 1.3 volume=118006.039 peak=519 ppm1=7.619 ppm2=4.313
assign ( resid 102 and name H
)
( resid 101 and name H
) 2.9 1.1 1.1 volume=148580.531 peak=520 ppm1=8.628 ppm2=8.879
assign ( resid 54 and name H
)
( resid 55 and name H
) 2.8 1.0 1.0 volume=140324.203 peak=521 ppm1=8.632 ppm2=7.334
assign ( resid 102 and name H
)
( resid 100 and name HA
) 3.4 1.5 1.5 volume=53568.301 peak=522 ppm1=8.629 ppm2=4.920
assign ( resid 54 and name H
)
( resid 53 and name HA
) 2.3 0.7 0.7 volume=404042.031 peak=523 ppm1=8.629 ppm2=4.644
assign ( resid 102 and name H
)
( resid 103 and name H
) 2.9 1.0 1.0 volume=166115.688 peak=524 ppm1=8.626 ppm2=7.605
assign ( resid 102 and name H
)
( resid 62 and name HA
) 3.1 1.2 1.2 volume=118202.008 peak=525 ppm1=8.626 ppm2=3.824
assign ( resid 102 and name H
)
( resid 103 and name HG2
or resid 103 and name HG3
) 2.7 0.9 3.3 volume=151128.703 peak=526 ppm1=8.625 ppm2=2.317
assign ( resid 102 and name H
)
( resid 37 and name HD1#
) 3.3 1.4 1.4 volume=87977.508 peak=527 ppm1=8.626 ppm2=0.267
assign ( resid 24 and name H
)
( resid 21 and name HG2#
) 2.9 1.1 1.1 volume=123808.930 peak=528 ppm1=8.123 ppm2=0.946
assign ( resid 24 and name H
)
( resid 21 and name HA
) 3.3 1.4 1.4 volume=151632.859 peak=529 ppm1=8.119 ppm2=3.902
assign ( resid 24 and name H
)
( resid 23 and name HB2
) 3.0 1.1 1.1 volume=117750.500 peak=530 ppm1=8.116 ppm2=1.974
assign ( resid 24 and name H
)
( resid 27 and name HB#
) 3.5 1.5 1.5 volume=75588.594 peak=531 ppm1=8.120 ppm2=1.468
assign ( resid 105 and name H
)
( resid 102 and name HB#
) 3.4 1.4 1.4 volume=73760.516 peak=532 ppm1=8.960 ppm2=1.444
assign ( resid 24 and name H
)
( resid 23 and name H
) 3.1 1.2 1.2 volume=124735.086 peak=533 ppm1=8.119 ppm2=8.949
assign ( resid 105 and name H
)
( resid 104 and name HB
) 3.0 1.1 1.1 volume=159202.188 peak=534 ppm1=8.955 ppm2=2.277
assign ( resid 105 and name H
)
( resid 104 and name H
) 3.1 1.2 1.2 volume=122165.172 peak=535 ppm1=8.950 ppm2=8.329
assign ( resid 105 and name H
)
( resid 106 and name H
) 2.7 0.9 0.9 volume=199892.000 peak=536 ppm1=8.952 ppm2=7.623
assign ( resid 105 and name H
)
( resid 104 and name HG2#
) 2.6 0.8 0.8 volume=232467.906 peak=537 ppm1=8.950 ppm2=0.953
assign ( resid 105 and name H
)
( resid 37 and name HG2#
) 3.0 1.1 1.1 volume=113193.992 peak=538 ppm1=8.951 ppm2=0.485
assign ( resid 105 and name H
)
( resid 37 and name HD1#
) 3.2 1.3 1.3 volume=100674.367 peak=539 ppm1=8.948 ppm2=0.271
assign ( resid 87 and name H
)
( resid 86 and name HD#
) 3.1 1.2 1.2 volume=127116.172 peak=540 ppm1=8.449 ppm2=6.848
assign ( resid 87 and name H
)
( resid 86 and name H
) 3.8 1.8 1.8 volume=115240.148 peak=541 ppm1=8.449 ppm2=8.769
assign ( resid 87 and name H
)
( resid 86 and name HA
) 2.4 0.7 0.7 volume=532316.688 peak=542 ppm1=8.448 ppm2=4.637
assign ( resid 87 and name H
)
( resid 86 and name HB3
) 2.7 0.9 0.9 volume=181130.859 peak=543 ppm1=8.446 ppm2=2.859
assign ( resid 26 and name H
)
( resid 114 and name HE#
) 2.9 1.1 1.1 volume=153161.516 peak=544 ppm1=8.263 ppm2=7.121
assign ( resid 26 and name H
)
( resid 25 and name HA
) 2.5 0.8 3.5 volume=272715.688 peak=545 ppm1=8.266 ppm2=4.134
assign ( resid 26 and name H
)
( resid 26 and name HA
) 2.8 1.0 1.0 volume=157443.484 peak=546 ppm1=8.263 ppm2=3.324
assign ( resid 26 and name H
)
( resid 26 and name HB
) 2.2 0.6 0.6 volume=539753.125 peak=547 ppm1=8.263 ppm2=1.946
assign ( resid 26 and name H
)
( resid 27 and name HB#
) 2.9 1.0 3.1 volume=145849.672 peak=548 ppm1=8.262 ppm2=1.489
assign ( resid 26 and name H
)
( resid 22 and name HA
) 2.8 1.0 1.0 volume=150771.062 peak=549 ppm1=8.260 ppm2=4.307
assign ( resid 73 and name H
)
( resid 74 and name H
) 3.1 1.2 1.2 volume=99481.516 peak=550 ppm1=7.686 ppm2=8.311
assign ( resid 73 and name H
)
( resid 70 and name HA
or resid 72 and name HA
) 3.4 1.4 1.4 volume=78122.836 peak=551 ppm1=7.683 ppm2=3.655
assign ( resid 73 and name H
)
( resid 72 and name HG2#
) 2.6 0.8 0.8 volume=263157.219 peak=552 ppm1=7.685 ppm2=0.916
assign ( resid 73 and name H
)
( resid 71 and name HA
) 2.9 1.0 3.1 volume=174131.281 peak=553 ppm1=7.671 ppm2=4.010
assign ( resid 76 and name H
)
( resid 73 and name HA
) 2.7 0.9 0.9 volume=210750.156 peak=554 ppm1=7.674 ppm2=3.264
assign ( resid 57 and name H
)
( resid 56 and name H
) 2.7 0.9 0.9 volume=187706.516 peak=555 ppm1=7.499 ppm2=8.065
assign ( resid 57 and name H
)
( resid 56 and name HA
) 3.1 1.2 1.2 volume=117442.484 peak=556 ppm1=7.498 ppm2=4.765
assign ( resid 57 and name H
)
( resid 56 and name HB
) 3.5 1.5 1.5 volume=66656.852 peak=557 ppm1=7.498 ppm2=4.248
assign ( resid 57 and name H
)
( resid 55 and name HA
) 3.2 1.3 1.3 volume=108983.812 peak=558 ppm1=7.489 ppm2=4.473
assign ( resid 66 and name H
)
( resid 101 and name HE#
) 2.8 1.0 1.0 volume=255133.031 peak=559 ppm1=8.550 ppm2=1.280
assign ( resid 66 and name H
)
( resid 65 and name HA
) 2.7 0.9 0.9 volume=196350.016 peak=560 ppm1=8.543 ppm2=5.052
assign ( resid 66 and name H
)
( resid 65 and name HB
or resid 66 and name HA
) 2.6 0.8 0.8 volume=402181.500 peak=561 ppm1=8.549 ppm2=4.624
assign ( resid 103 and name H
)
( resid 102 and name HA
) 3.8 1.8 1.8 volume=69446.773 peak=562 ppm1=7.605 ppm2=4.037
assign ( resid 103 and name H
)
( resid 102 and name HB#
) 2.7 0.9 0.9 volume=329413.344 peak=563 ppm1=7.605 ppm2=1.448
assign ( resid 103 and name H
)
( resid 104 and name H
) 2.8 1.0 1.0 volume=226869.078 peak=564 ppm1=7.599 ppm2=8.338
assign ( resid 117 and name H
)
( resid 116 and name HD#
) 3.5 1.6 1.6 volume=92446.867 peak=565 ppm1=9.566 ppm2=7.240
assign ( resid 117 and name H
)
( resid 116 and name HA
) 2.5 0.8 0.8 volume=469132.031 peak=566 ppm1=9.569 ppm2=5.071
assign ( resid 117 and name H
)
( resid 40 and name HB
) 3.3 1.4 1.4 volume=60809.059 peak=567 ppm1=9.569 ppm2=1.307
assign ( resid 117 and name H
)
( resid 116 and name H
) 3.5 1.6 1.6 volume=52034.199 peak=568 ppm1=9.562 ppm2=9.310
assign ( resid 62 and name H
)
( resid 61 and name HB3
or resid 61 and name HB2
) 3.2 1.2 1.2 volume=118393.070 peak=569 ppm1=8.042 ppm2=1.377
assign ( resid 62 and name H
)
( resid 36 and name HA
) 3.0 1.1 1.1 volume=120980.758 peak=570 ppm1=8.039 ppm2=4.756
assign ( resid 62 and name H
)
( resid 61 and name HA
) 2.4 0.7 0.7 volume=341921.500 peak=571 ppm1=8.038 ppm2=4.411
assign ( resid 103 and name H
)
( resid 101 and name HA
) 3.6 1.6 1.6 volume=73730.375 peak=572 ppm1=7.604 ppm2=4.387
assign ( resid 55 and name H
)
( resid 54 and name HB2
) 3.6 1.6 1.6 volume=62957.113 peak=573 ppm1=7.338 ppm2=2.821
assign ( resid 55 and name H
)
( resid 53 and name HB2
) 2.8 1.0 1.0 volume=206638.719 peak=574 ppm1=7.341 ppm2=1.941
assign ( resid 55 and name H
)
( resid 56 and name H
) 3.5 1.6 1.6 volume=72546.852 peak=575 ppm1=7.336 ppm2=8.028
assign ( resid 55 and name H
)
( resid 55 and name HA
) 2.6 0.8 0.8 volume=260169.781 peak=576 ppm1=7.337 ppm2=4.459
assign ( resid 55 and name H
)
( resid 54 and name HB3
) 3.7 1.7 1.7 volume=57194.262 peak=577 ppm1=7.335 ppm2=2.694
assign ( resid 101 and name H
)
( resid 100 and name HA
) 2.8 1.0 1.0 volume=184513.719 peak=578 ppm1=8.871 ppm2=4.959
assign ( resid 101 and name H
)
( resid 101 and name HB2
or resid 101 and name HB3
) 2.9 1.0 1.0 volume=137896.500 peak=579 ppm1=8.871 ppm2=2.051
assign ( resid 101 and name H
)
( resid 100 and name HG2#
) 2.6 0.8 3.4 volume=260153.906 peak=580 ppm1=8.870 ppm2=1.287
assign ( resid 101 and name H
)
( resid 100 and name HB
) 2.8 1.0 1.0 volume=158830.234 peak=581 ppm1=8.868 ppm2=4.718
assign ( resid 101 and name H
)
( resid 101 and name HA
) 2.9 1.1 1.1 volume=138082.844 peak=582 ppm1=8.869 ppm2=4.379
assign ( resid 120 and name H
)
( resid 86 and name H
) 3.3 1.4 1.4 volume=78305.617 peak=583 ppm1=8.520 ppm2=8.762
assign ( resid 120 and name H
)
( resid 119 and name HA
) 2.8 1.0 1.0 volume=195847.188 peak=584 ppm1=8.512 ppm2=6.126
assign ( resid 120 and name H
)
( resid 86 and name HB3
) 3.4 1.5 1.5 volume=59112.871 peak=585 ppm1=8.513 ppm2=2.824
assign ( resid 120 and name H
)
( resid 119 and name HB2
) 3.1 1.2 1.2 volume=90912.906 peak=586 ppm1=8.509 ppm2=2.408
assign ( resid 95 and name H
)
( resid 94 and name HA
) 2.2 0.6 0.6 volume=857108.938 peak=587 ppm1=8.335 ppm2=4.486
assign ( resid 104 and name H
)
( resid 103 and name HA
) 3.0 1.1 1.1 volume=115774.672 peak=588 ppm1=8.328 ppm2=3.821
assign ( resid 104 and name H
)
( resid 103 and name HG2
or resid 103 and name HG3
) 2.8 1.0 1.0 volume=224789.547 peak=589 ppm1=8.326 ppm2=2.291
assign ( resid 112 and name H
)
( resid 110 and name HA
) 3.6 1.6 1.6 volume=93572.203 peak=590 ppm1=9.958 ppm2=4.777
assign ( resid 112 and name H
)
( resid 110 and name HB3
) 3.3 1.4 1.4 volume=73144.922 peak=591 ppm1=9.957 ppm2=3.101
assign ( resid 112 and name H
)
( resid 111 and name HG3
or resid 111 and name HG2
) 3.5 1.5 1.5 volume=65795.406 peak=592 ppm1=9.957 ppm2=2.324
assign ( resid 112 and name H
)
( resid 111 and name HB2
) 3.3 1.4 1.4 volume=81609.242 peak=593 ppm1=9.955 ppm2=2.094
assign ( resid 112 and name H
)
( resid 110 and name HB2
) 3.6 1.6 1.6 volume=58625.953 peak=594 ppm1=9.948 ppm2=3.759
assign ( resid 112 and name H
)
( resid 19 and name HD2#
) 3.4 1.5 1.5 volume=70198.312 peak=595 ppm1=9.951 ppm2=1.004
assign ( resid 70 and name H
)
( resid 69 and name H
) 2.9 1.0 1.0 volume=168779.719 peak=596 ppm1=8.755 ppm2=9.014
assign ( resid 70 and name H
)
( resid 69 and name HD#
) 3.2 1.3 1.3 volume=81221.039 peak=597 ppm1=8.756 ppm2=6.966
assign ( resid 70 and name H
)
( resid 69 and name HB3
) 2.7 0.9 0.9 volume=215956.688 peak=598 ppm1=8.754 ppm2=3.188
assign ( resid 70 and name H
)
( resid 70 and name HB2
) 2.2 0.6 0.6 volume=579631.312 peak=599 ppm1=8.755 ppm2=1.706
assign ( resid 120 and name H
)
( resid 86 and name HA
) 3.5 1.6 1.6 volume=51621.016 peak=600 ppm1=8.515 ppm2=4.677
assign ( resid 109 and name H
)
( resid 110 and name H
) 3.1 1.2 2.9 volume=90399.742 peak=601 ppm1=7.607 ppm2=9.242
assign ( resid 109 and name H
)
( resid 108 and name HD#
) 3.3 1.4 1.4 volume=66422.055 peak=602 ppm1=7.607 ppm2=7.386
assign ( resid 109 and name H
)
( resid 108 and name HB3
) 3.3 1.4 1.4 volume=94090.844 peak=603 ppm1=7.609 ppm2=3.390
assign ( resid 109 and name H
)
( resid 108 and name H
) 2.6 0.8 0.8 volume=359443.031 peak=604 ppm1=7.604 ppm2=8.518
assign ( resid 21 and name H
)
( resid 21 and name HA
) 2.9 1.0 1.0 volume=162319.156 peak=605 ppm1=7.556 ppm2=3.931
assign ( resid 18 and name H
)
( resid 17 and name HA
) 2.5 0.8 0.8 volume=618025.125 peak=606 ppm1=8.362 ppm2=4.523
assign ( resid 78 and name H
)
( resid 77 and name HA
) 2.6 0.8 0.8 volume=317006.406 peak=607 ppm1=8.033 ppm2=4.321
assign ( resid 78 and name H
)
( resid 77 and name HB2
) 3.3 1.3 1.3 volume=146183.406 peak=608 ppm1=8.032 ppm2=1.940
assign ( resid 109 and name H
)
( resid 108 and name HA
) 2.9 1.1 1.1 volume=191028.719 peak=609 ppm1=7.605 ppm2=4.892
assign ( resid 21 and name H
)
( resid 20 and name HB#
) 2.7 0.9 0.9 volume=331567.312 peak=610 ppm1=7.559 ppm2=1.404
assign ( resid 21 and name H
)
( resid 22 and name H
) 2.7 0.9 0.9 volume=300341.500 peak=611 ppm1=7.561 ppm2=8.396
assign ( resid 21 and name H
)
( resid 18 and name HB2
) 3.0 1.1 1.1 volume=151202.984 peak=612 ppm1=7.560 ppm2=4.279
assign ( resid 30 and name H
)
( resid 26 and name HA
) 3.6 1.6 1.6 volume=96502.688 peak=613 ppm1=8.711 ppm2=3.303
assign ( resid 20 and name H
)
( resid 19 and name H
) 2.8 1.0 1.0 volume=184071.969 peak=614 ppm1=8.380 ppm2=8.698
assign ( resid 20 and name H
)
( resid 21 and name H
) 2.7 0.9 0.9 volume=191951.156 peak=615 ppm1=8.382 ppm2=7.565
assign ( resid 20 and name H
)
( resid 19 and name HG
) 2.5 0.8 0.8 volume=351364.125 peak=616 ppm1=8.379 ppm2=0.941
assign ( resid 20 and name H
)
( resid 18 and name HB3
) 2.8 1.0 1.0 volume=364120.938 peak=617 ppm1=8.360 ppm2=4.036
assign ( resid 18 and name H
)
( resid 17 and name HB3
or resid 21 and name HG13
) 2.5 0.8 0.8 volume=287307.844 peak=618 ppm1=8.373 ppm2=1.633
assign ( resid 18 and name H
)
( resid 21 and name HB
) 3.0 1.1 1.1 volume=124527.047 peak=619 ppm1=8.370 ppm2=2.066
assign ( resid 123 and name H
)
( resid 122 and name HG3
or resid 122 and name HB3
) 2.8 1.0 1.0 volume=178891.031 peak=620 ppm1=8.242 ppm2=1.932
assign ( resid 78 and name H
)
( resid 79 and name H
) 2.6 0.8 0.8 volume=246323.766 peak=621 ppm1=8.030 ppm2=7.615
assign ( resid 30 and name H
)
( resid 31 and name H
) 3.0 1.1 1.1 volume=120800.711 peak=622 ppm1=8.708 ppm2=7.441
assign ( resid 30 and name H
)
( resid 27 and name HA
or resid 29 and name HA
) 2.5 0.8 0.8 volume=200680.609 peak=623 ppm1=8.708 ppm2=4.007
assign ( resid 30 and name H
)
( resid 29 and name HG2#
) 2.8 1.0 1.0 volume=152665.250 peak=624 ppm1=8.710 ppm2=0.958
assign ( resid 123 and name H
)
( resid 123 and name HA
) 2.7 0.9 0.9 volume=201332.547 peak=625 ppm1=8.245 ppm2=3.481
assign ( resid 123 and name H
)
( resid 122 and name HA
) 2.5 0.8 0.8 volume=398298.938 peak=626 ppm1=8.244 ppm2=4.422
assign ( resid 31 and name H
)
( resid 30 and name HB2
) 2.8 1.0 1.0 volume=160447.594 peak=627 ppm1=7.450 ppm2=1.867
assign ( resid 85 and name H
)
( resid 86 and name H
) 3.7 1.8 1.8 volume=62673.559 peak=628 ppm1=7.399 ppm2=8.769
assign ( resid 85 and name H
)
( resid 84 and name HA
) 2.1 0.6 0.6 volume=710499.000 peak=629 ppm1=7.394 ppm2=4.190
assign ( resid 85 and name H
)
( resid 84 and name HB#
) 2.5 0.8 0.8 volume=367266.719 peak=630 ppm1=7.396 ppm2=1.393
assign ( resid 92 and name H
)
( resid 91 and name H
) 2.7 0.9 0.9 volume=278051.344 peak=631 ppm1=7.909 ppm2=8.751
assign ( resid 92 and name H
)
( resid 93 and name H
) 2.6 0.8 0.8 volume=446117.469 peak=632 ppm1=7.909 ppm2=8.455
assign ( resid 92 and name H
)
( resid 91 and name HB3
) 3.2 1.3 1.3 volume=70632.414 peak=633 ppm1=7.913 ppm2=3.161
assign ( resid 92 and name H
)
( resid 92 and name HB2
) 2.3 0.7 0.7 volume=431623.625 peak=634 ppm1=7.910 ppm2=1.883
assign ( resid 92 and name H
)
( resid 91 and name HA
) 2.8 1.0 1.0 volume=168278.531 peak=635 ppm1=7.908 ppm2=4.196
assign ( resid 36 and name H
)
( resid 37 and name H
) 3.3 1.4 1.4 volume=69727.281 peak=636 ppm1=7.563 ppm2=9.313
assign ( resid 36 and name H
)
( resid 35 and name H
) 2.3 0.7 0.7 volume=496527.344 peak=637 ppm1=7.562 ppm2=8.446
assign ( resid 77 and name H
)
( resid 78 and name H
) 3.4 1.5 1.5 volume=155863.828 peak=638 ppm1=7.559 ppm2=8.033
assign ( resid 36 and name H
)
( resid 36 and name HA
) 2.4 0.7 0.7 volume=407957.781 peak=639 ppm1=7.562 ppm2=4.768
assign ( resid 36 and name H
)
( resid 35 and name HB2
) 2.5 0.8 0.8 volume=272085.594 peak=640 ppm1=7.561 ppm2=2.998
assign ( resid 74 and name H
)
( resid 73 and name H
or resid 75 and name H
) 2.5 0.8 0.8 volume=313514.438 peak=641 ppm1=8.308 ppm2=7.685
assign ( resid 74 and name H
)
( resid 71 and name HA
) 3.1 1.2 1.2 volume=155708.234 peak=642 ppm1=8.307 ppm2=4.039
assign ( resid 74 and name H
)
( resid 73 and name HG2#
) 2.8 1.0 1.0 volume=178954.000 peak=643 ppm1=8.312 ppm2=0.394
assign ( resid 74 and name H
)
( resid 73 and name HA
) 2.9 1.1 1.1 volume=149011.797 peak=644 ppm1=8.306 ppm2=3.294
assign ( resid 74 and name H
)
( resid 72 and name HG2#
) 3.1 1.2 2.9 volume=98748.406 peak=645 ppm1=8.305 ppm2=0.887
assign ( resid 33 and name H
)
( resid 31 and name HA
) 3.5 1.5 1.5 volume=52092.840 peak=646 ppm1=8.513 ppm2=4.109
assign ( resid 33 and name H
)
( resid 33 and name HB2
) 3.0 1.1 1.1 volume=116462.828 peak=647 ppm1=8.511 ppm2=2.842
assign ( resid 33 and name H
)
( resid 32 and name H
) 2.3 0.7 0.7 volume=514225.094 peak=648 ppm1=8.510 ppm2=7.360
assign ( resid 33 and name H
)
( resid 29 and name HA
or resid 32 and name HA
) 2.7 0.9 0.9 volume=242458.125 peak=649 ppm1=8.510 ppm2=3.928
assign ( resid 32 and name H
)
( resid 31 and name HA
) 3.1 1.2 1.2 volume=92619.617 peak=650 ppm1=7.373 ppm2=4.136
assign ( resid 32 and name H
)
( resid 31 and name HB#
) 2.3 0.7 0.7 volume=565830.062 peak=651 ppm1=7.371 ppm2=1.459
assign ( resid 32 and name H
)
( resid 29 and name HA
) 2.7 0.9 0.9 volume=254869.594 peak=652 ppm1=7.366 ppm2=3.932
assign ( resid 23 and name H
)
( resid 23 and name HB2
) 3.0 1.1 1.1 volume=106309.414 peak=653 ppm1=8.956 ppm2=1.962
assign ( resid 23 and name H
)
( resid 22 and name H
) 3.1 1.2 1.2 volume=139445.953 peak=654 ppm1=8.950 ppm2=8.402
assign ( resid 23 and name H
)
( resid 20 and name HA
) 2.6 0.9 0.9 volume=174229.641 peak=655 ppm1=8.951 ppm2=4.318
assign ( resid 33 and name H
)
( resid 33 and name HA
) 2.9 1.1 1.1 volume=142421.016 peak=656 ppm1=8.512 ppm2=5.195
assign ( resid 33 and name H
)
( resid 32 and name HG3
or resid 32 and name HB3
) 2.8 1.0 1.0 volume=252820.938 peak=657 ppm1=8.511 ppm2=1.121
assign ( resid 33 and name H
)
( resid 33 and name HB3
) 2.9 1.1 1.1 volume=163269.125 peak=658 ppm1=8.509 ppm2=3.000
assign ( resid 115 and name H
)
( resid 40 and name H
) 3.5 1.5 1.5 volume=79943.133 peak=659 ppm1=7.898 ppm2=8.948
assign ( resid 115 and name H
)
( resid 114 and name HD#
) 2.7 0.9 0.9 volume=196247.562 peak=660 ppm1=7.897 ppm2=7.114
assign ( resid 115 and name H
)
( resid 114 and name HB2
) 2.8 1.0 1.0 volume=163084.984 peak=661 ppm1=7.895 ppm2=2.162
assign ( resid 115 and name H
)
( resid 37 and name HG2#
or resid 39 and name HG1#
) 3.2 1.3 1.3 volume=101010.758 peak=662 ppm1=7.896 ppm2=0.589
assign ( resid 115 and name H
)
( resid 114 and name HA
) 2.6 0.8 0.8 volume=242980.078 peak=663 ppm1=7.893 ppm2=4.890
assign ( resid 115 and name H
)
( resid 114 and name HB3
) 3.1 1.2 1.2 volume=120158.930 peak=664 ppm1=7.893 ppm2=3.394
assign ( resid 48 and name H
)
( resid 47 and name HA
) 2.6 0.9 0.9 volume=212359.219 peak=665 ppm1=8.896 ppm2=4.472
assign ( resid 48 and name H
)
( resid 48 and name HG2#
) 2.9 1.0 1.0 volume=142813.656 peak=666 ppm1=8.896 ppm2=1.116
assign ( resid 48 and name H
)
( resid 47 and name HG2
) 3.3 1.4 1.4 volume=64569.770 peak=667 ppm1=8.888 ppm2=2.298
assign ( resid 106 and name H
)
( resid 106 and name HB3
) 2.6 0.8 0.8 volume=306529.219 peak=668 ppm1=7.637 ppm2=1.924
assign ( resid 63 and name H
)
( resid 62 and name H
) 2.9 1.1 1.1 volume=160984.125 peak=669 ppm1=9.186 ppm2=8.051
assign ( resid 63 and name H
)
( resid 64 and name H
) 2.5 0.8 0.8 volume=311796.281 peak=670 ppm1=9.187 ppm2=7.437
assign ( resid 63 and name H
)
( resid 61 and name HB3
or resid 61 and name HB2
) 3.0 1.2 1.2 volume=75029.328 peak=671 ppm1=9.186 ppm2=1.340
assign ( resid 126 and name H
)
( resid 125 and name HD#
) 2.8 1.0 1.0 volume=220177.219 peak=672 ppm1=8.038 ppm2=6.963
assign ( resid 126 and name H
)
( resid 125 and name HB2
) 2.7 0.9 0.9 volume=242184.219 peak=673 ppm1=8.038 ppm2=2.750
assign ( resid 106 and name H
)
( resid 106 and name HG2
) 3.3 1.4 1.4 volume=134169.203 peak=674 ppm1=7.636 ppm2=1.493
assign ( resid 106 and name H
)
( resid 106 and name HA
) 2.5 0.8 0.8 volume=373616.219 peak=675 ppm1=7.636 ppm2=3.816
assign ( resid 106 and name H
)
( resid 105 and name HB3
) 2.7 0.9 0.9 volume=244772.391 peak=676 ppm1=7.635 ppm2=3.070
assign ( resid 67 and name H
)
( resid 66 and name H
) 2.7 0.9 0.9 volume=192758.281 peak=677 ppm1=8.194 ppm2=8.560
assign ( resid 67 and name H
)
( resid 68 and name H
) 2.8 1.0 1.0 volume=191379.000 peak=678 ppm1=8.194 ppm2=7.637
assign ( resid 67 and name H
)
( resid 65 and name HA
) 3.4 1.4 1.4 volume=67985.258 peak=679 ppm1=8.194 ppm2=5.071
assign ( resid 67 and name H
)
( resid 65 and name HB
) 2.3 0.7 0.7 volume=493828.219 peak=680 ppm1=8.194 ppm2=4.606
assign ( resid 67 and name H
)
( resid 66 and name HB3
) 2.5 0.8 0.8 volume=289660.969 peak=681 ppm1=8.193 ppm2=2.078
assign ( resid 67 and name H
)
( resid 70 and name H
) 3.4 1.4 1.4 volume=66719.219 peak=682 ppm1=8.194 ppm2=8.791
assign ( resid 121 and name H
)
( resid 120 and name HA
) 3.2 1.3 1.3 volume=92226.688 peak=683 ppm1=9.890 ppm2=4.736
assign ( resid 108 and name H
)
( resid 109 and name H
) 2.5 0.8 0.8 volume=518381.219 peak=684 ppm1=8.523 ppm2=7.609
assign ( resid 108 and name H
)
( resid 107 and name HA
) 3.0 1.1 1.1 volume=169969.562 peak=685 ppm1=8.520 ppm2=4.525
assign ( resid 108 and name H
)
( resid 104 and name HA
) 3.3 1.3 1.3 volume=118939.664 peak=686 ppm1=8.521 ppm2=4.111
assign ( resid 108 and name H
)
( resid 107 and name HB3
) 2.8 1.0 1.0 volume=146004.188 peak=687 ppm1=8.521 ppm2=2.319
assign ( resid 108 and name H
)
( resid 107 and name HB2
) 2.7 0.9 0.9 volume=158795.812 peak=688 ppm1=8.521 ppm2=1.896
assign ( resid 119 and name H
)
( resid 44 and name H
) 3.4 1.4 1.4 volume=52681.852 peak=689 ppm1=7.671 ppm2=8.755
assign ( resid 119 and name H
)
( resid 118 and name HA
) 3.0 1.1 1.1 volume=164154.062 peak=690 ppm1=7.663 ppm2=6.261
assign ( resid 56 and name H
)
( resid 55 and name HB3
) 2.9 1.0 1.0 volume=136775.172 peak=691 ppm1=8.050 ppm2=1.558
assign ( resid 107 and name H
)
( resid 104 and name HA
) 3.6 1.6 1.6 volume=76764.383 peak=692 ppm1=7.545 ppm2=4.116
assign ( resid 107 and name H
)
( resid 106 and name HA
) 2.8 1.0 1.0 volume=190824.656 peak=693 ppm1=7.543 ppm2=3.809
assign ( resid 107 and name H
)
( resid 106 and name HB2
) 2.9 1.0 1.0 volume=192372.703 peak=694 ppm1=7.542 ppm2=2.151
assign ( resid 107 and name H
)
( resid 104 and name HG2#
) 3.5 1.5 1.5 volume=59209.988 peak=695 ppm1=7.543 ppm2=0.949
assign ( resid 35 and name H
)
( resid 34 and name HA
) 2.6 0.8 3.4 volume=276615.312 peak=696 ppm1=8.442 ppm2=4.503
assign ( resid 35 and name H
)
( resid 35 and name HB2
) 2.3 0.7 0.7 volume=529152.938 peak=697 ppm1=8.442 ppm2=3.021
assign ( resid 35 and name H
)
( resid 34 and name HB2
) 2.6 0.8 0.8 volume=337710.625 peak=698 ppm1=8.441 ppm2=1.918
assign ( resid 35 and name H
)
( resid 33 and name HA
) 3.3 1.4 1.4 volume=80255.281 peak=699 ppm1=8.439 ppm2=5.187
assign ( resid 56 and name H
)
( resid 55 and name HA
) 2.6 0.9 0.9 volume=297138.125 peak=700 ppm1=8.051 ppm2=4.473
assign ( resid 35 and name H
)
( resid 34 and name HB3
) 3.0 1.1 1.1 volume=129801.656 peak=701 ppm1=8.439 ppm2=2.400
assign ( resid 118 and name H
)
( resid 89 and name HA
) 3.7 1.7 1.7 volume=56673.016 peak=702 ppm1=9.028 ppm2=4.507
assign ( resid 118 and name H
)
( resid 117 and name HG3
) 3.5 1.5 1.5 volume=52772.125 peak=703 ppm1=9.027 ppm2=2.466
assign ( resid 118 and name H
)
( resid 90 and name H
or resid 117 and name H
) 3.6 1.7 1.7 volume=63368.035 peak=704 ppm1=9.023 ppm2=9.568
assign ( resid 118 and name H
)
( resid 117 and name HA
) 2.6 0.8 0.8 volume=288862.469 peak=705 ppm1=9.023 ppm2=5.622
assign ( resid 118 and name H
)
( resid 117 and name HB2
) 3.0 1.2 1.2 volume=146876.422 peak=706 ppm1=9.024 ppm2=2.160
assign ( resid 118 and name H
)
( resid 117 and name HB3
) 3.0 1.2 1.2 volume=129464.602 peak=707 ppm1=9.024 ppm2=1.935
assign ( resid 118 and name H
)
( resid 117 and name HG2
) 3.3 1.4 1.4 volume=62612.711 peak=708 ppm1=9.016 ppm2=2.569
assign ( resid 75 and name H
)
( resid 74 and name H
) 2.9 1.0 1.0 volume=198970.938 peak=709 ppm1=7.680 ppm2=8.315
assign ( resid 75 and name H
)
( resid 72 and name HG2#
) 3.1 1.2 1.2 volume=93976.930 peak=710 ppm1=7.677 ppm2=0.937
assign ( resid 98 and name H
)
( resid 97 and name H
) 2.7 0.9 0.9 volume=228058.062 peak=711 ppm1=8.091 ppm2=8.825
assign ( resid 98 and name H
)
( resid 97 and name HB2
) 3.3 1.4 1.4 volume=93432.008 peak=712 ppm1=8.090 ppm2=2.283
assign ( resid 98 and name H
)
( resid 99 and name HB#
) 2.9 1.0 1.0 volume=170258.859 peak=713 ppm1=8.089 ppm2=1.493
assign ( resid 98 and name H
)
( resid 96 and name HA
or resid 97 and name HA
) 2.3 0.7 0.7 volume=581394.188 peak=714 ppm1=8.088 ppm2=4.596
assign ( resid 98 and name H
)
( resid 97 and name HB3
) 3.1 1.2 1.2 volume=129461.742 peak=715 ppm1=8.088 ppm2=2.047
assign ( resid 75 and name H
)
( resid 72 and name HA
) 3.3 1.3 1.3 volume=88865.008 peak=716 ppm1=7.681 ppm2=3.694
assign ( resid 75 and name H
)
( resid 73 and name HA
or resid 74 and name HA
) 3.2 1.3 1.3 volume=88590.875 peak=717 ppm1=7.676 ppm2=3.335
assign ( resid 65 and name H
)
( resid 64 and name HA
) 2.5 0.8 0.8 volume=427635.781 peak=718 ppm1=8.558 ppm2=4.280
assign ( resid 65 and name H
)
( resid 68 and name HB3
) 2.6 0.9 0.9 volume=236442.438 peak=719 ppm1=8.557 ppm2=2.006
assign ( resid 71 and name H
)
( resid 70 and name H
) 2.6 0.8 0.8 volume=248095.531 peak=720 ppm1=7.258 ppm2=8.758
assign ( resid 71 and name H
)
( resid 72 and name H
) 2.8 1.0 1.0 volume=232688.344 peak=721 ppm1=7.258 ppm2=7.482
assign ( resid 71 and name H
)
( resid 69 and name HA
) 3.9 1.9 1.9 volume=48832.086 peak=722 ppm1=7.256 ppm2=4.451
assign ( resid 124 and name H
)
( resid 123 and name HA
) 2.9 1.1 1.1 volume=178083.156 peak=723 ppm1=7.250 ppm2=3.489
assign ( resid 124 and name H
)
( resid 123 and name H
or resid 125 and name H
) 2.6 0.8 0.8 volume=280434.719 peak=724 ppm1=7.250 ppm2=8.262
assign ( resid 62 and name HE22
)
( resid 62 and name HE21
) 1.8 0.4 0.4 volume=3231761.250 peak=725 ppm1=7.483 ppm2=6.824
assign ( resid 62 and name HE21
)
( resid 62 and name HB3
) 3.3 1.4 1.4 volume=69755.156 peak=726 ppm1=6.821 ppm2=2.011
assign ( resid 62 and name HE22
)
( resid 62 and name HB3
) 3.8 1.8 1.8 volume=73319.531 peak=727 ppm1=7.479 ppm2=2.005
assign ( resid 91 and name H
)
( resid 92 and name H
) 3.0 1.1 1.1 volume=140978.172 peak=728 ppm1=8.741 ppm2=7.912
assign ( resid 100 and name H
)
( resid 103 and name H
) 3.5 1.5 1.5 volume=79666.836 peak=729 ppm1=8.371 ppm2=7.609
assign ( resid 100 and name H
)
( resid 99 and name HA
) 2.2 0.6 0.6 volume=743851.000 peak=730 ppm1=8.368 ppm2=4.389
assign ( resid 100 and name H
)
( resid 103 and name HB3
or resid 103 and name HB2
) 2.9 1.1 1.1 volume=176758.625 peak=731 ppm1=8.369 ppm2=2.480
assign ( resid 100 and name H
)
( resid 99 and name HB#
) 2.4 0.7 0.7 volume=440835.250 peak=732 ppm1=8.367 ppm2=1.490
assign ( resid 82 and name H
)
( resid 81 and name H
) 3.1 1.2 1.2 volume=117108.781 peak=733 ppm1=7.560 ppm2=8.588
assign ( resid 82 and name H
)
( resid 81 and name HA
) 2.5 0.8 0.8 volume=429859.281 peak=734 ppm1=7.558 ppm2=4.212
assign ( resid 82 and name H
)
( resid 81 and name HB#
) 2.6 0.9 0.9 volume=267123.812 peak=735 ppm1=7.558 ppm2=1.443
assign ( resid 28 and name H
)
( resid 26 and name HA
) 3.6 1.6 1.6 volume=47060.766 peak=736 ppm1=8.013 ppm2=3.332
assign ( resid 28 and name H
)
( resid 29 and name HB
) 2.9 1.0 3.1 volume=149442.016 peak=737 ppm1=8.011 ppm2=1.932
assign ( resid 28 and name H
)
( resid 27 and name HB#
) 2.4 0.7 0.7 volume=530084.562 peak=738 ppm1=8.010 ppm2=1.495
assign ( resid 113 and name H
)
( resid 26 and name HG2#
) 3.5 1.6 1.6 volume=61585.746 peak=739 ppm1=7.965 ppm2=0.195
assign ( resid 113 and name H
)
( resid 114 and name H
) 2.8 1.0 1.0 volume=183560.562 peak=740 ppm1=7.961 ppm2=9.468
assign ( resid 113 and name H
)
( resid 110 and name HA
) 3.5 1.5 1.5 volume=73287.773 peak=741 ppm1=7.960 ppm2=4.799
assign ( resid 113 and name H
)
( resid 112 and name HA
) 3.2 1.3 1.3 volume=69805.984 peak=742 ppm1=7.958 ppm2=4.327
assign ( resid 113 and name H
)
( resid 110 and name HB2
) 3.3 1.4 1.4 volume=61662.453 peak=743 ppm1=7.957 ppm2=3.771
assign ( resid 113 and name H
)
( resid 110 and name HB3
) 3.3 1.3 1.3 volume=74825.180 peak=744 ppm1=7.958 ppm2=3.112
assign ( resid 92 and name H
)
( resid 93 and name HB2
) 3.9 1.9 1.9 volume=42473.867 peak=745 ppm1=7.908 ppm2=3.739
assign ( resid 108 and name H
)
( resid 106 and name HA
) 3.5 1.6 1.6 volume=36371.312 peak=746 ppm1=8.522 ppm2=3.826
assign ( resid 121 and name H
)
( resid 122 and name H
) 4.0 2.0 2.0 volume=46805.664 peak=747 ppm1=9.897 ppm2=7.538
assign ( resid 121 and name H
)
( resid 122 and name HA
) 4.3 2.3 2.3 volume=28597.627 peak=748 ppm1=9.888 ppm2=4.438
assign ( resid 123 and name H
)
( resid 122 and name H
) 3.5 1.6 1.6 volume=45626.852 peak=749 ppm1=8.238 ppm2=7.496
assign ( resid 60 and name H
)
( resid 36 and name HA
) 3.6 1.6 1.6 volume=148108.406 peak=750 ppm1=8.631 ppm2=4.787
assign ( resid 47 and name H
)
( resid 48 and name H
) 3.5 1.6 1.6 volume=47667.273 peak=751 ppm1=7.888 ppm2=8.869
assign ( resid 119 and name H
)
( resid 120 and name H
) 3.9 1.9 1.9 volume=29152.227 peak=752 ppm1=7.663 ppm2=8.523
assign ( resid 120 and name H
)
( resid 86 and name HD#
) 3.6 1.6 1.6 volume=36769.633 peak=753 ppm1=8.515 ppm2=6.874
assign ( resid 115 and name H
)
( resid 105 and name HD#
) 3.5 1.6 1.6 volume=92394.398 peak=754 ppm1=7.890 ppm2=7.001
assign ( resid 116 and name H
)
( resid 115 and name HB
) 3.7 1.7 1.7 volume=42303.652 peak=755 ppm1=9.341 ppm2=2.015
assign ( resid 117 and name H
)
( resid 116 and name HB2
or resid 116 and name HB3
) 3.8 1.8 1.8 volume=50806.043 peak=756 ppm1=9.564 ppm2=2.875
assign ( resid 113 and name H
)
( resid 110 and name H
) 4.0 2.0 2.0 volume=41187.816 peak=757 ppm1=7.955 ppm2=9.243
assign ( resid 113 and name H
)
( resid 111 and name HA
) 3.4 1.5 1.5 volume=89845.719 peak=758 ppm1=7.960 ppm2=4.132
assign ( resid 107 and name H
)
( resid 105 and name H
) 4.3 2.3 2.3 volume=42260.648 peak=759 ppm1=7.535 ppm2=8.947
assign ( resid 107 and name H
)
( resid 108 and name HD#
) 3.0 1.1 1.1 volume=277054.281 peak=760 ppm1=7.541 ppm2=7.427
assign ( resid 35 and name H
)
( resid 33 and name HB2
) 3.3 1.3 1.3 volume=172566.750 peak=761 ppm1=8.440 ppm2=2.859
assign ( resid 69 and name H
)
( resid 65 and name H
) 3.7 1.7 1.7 volume=41212.406 peak=762 ppm1=9.014 ppm2=8.562
assign ( resid 70 and name H
)
( resid 68 and name H
) 3.8 1.8 1.8 volume=58886.090 peak=763 ppm1=8.752 ppm2=7.649
assign ( resid 70 and name H
)
( resid 67 and name HG2#
) 3.7 1.7 1.7 volume=47327.758 peak=764 ppm1=8.747 ppm2=1.222
assign ( resid 58 and name H
)
( resid 57 and name H
) 4.9 3.0 3.0 volume=28490.992 peak=765 ppm1=9.824 ppm2=7.508
assign ( resid 49 and name H
)
( resid 47 and name HG2
) 3.5 1.5 1.5 volume=42378.656 peak=766 ppm1=8.242 ppm2=2.283
assign ( resid 50 and name H
)
( resid 49 and name HA
) 3.6 1.7 1.7 volume=38183.914 peak=767 ppm1=9.540 ppm2=4.680
assign ( resid 50 and name H
)
( resid 47 and name HG2
) 4.5 2.5 2.5 volume=35800.129 peak=768 ppm1=9.546 ppm2=2.260
assign ( resid 115 and name H
)
( resid 114 and name H
) 4.0 2.0 2.0 volume=32233.426 peak=769 ppm1=7.896 ppm2=9.500
assign ( resid 50 and name H
)
( resid 49 and name HB2
) 3.5 1.6 1.6 volume=58028.875 peak=770 ppm1=9.529 ppm2=3.303
assign ( resid 31 and name H
)
( resid 33 and name H
) 3.7 1.7 1.7 volume=44492.316 peak=771 ppm1=7.445 ppm2=8.506
assign ( resid 31 and name H
)
( resid 29 and name H
) 3.9 1.9 1.9 volume=35620.746 peak=772 ppm1=7.449 ppm2=7.995
assign ( resid 31 and name H
)
( resid 28 and name HA3
or resid 30 and name HA
) 3.1 1.2 1.2 volume=114487.484 peak=773 ppm1=7.454 ppm2=3.961
assign ( resid 28 and name H
)
( resid 30 and name H
) 3.9 1.9 1.9 volume=49845.109 peak=774 ppm1=8.020 ppm2=8.718
assign ( resid 28 and name H
)
( resid 31 and name H
) 4.1 2.1 2.1 volume=36467.074 peak=775 ppm1=8.006 ppm2=7.439
assign ( resid 105 and name H
)
( resid 102 and name H
) 4.9 3.0 3.0 volume=16722.654 peak=776 ppm1=8.949 ppm2=8.627
assign ( resid 105 and name H
)
( resid 101 and name HA
) 3.8 1.8 1.8 volume=42214.086 peak=777 ppm1=8.951 ppm2=4.390
assign ( resid 106 and name H
)
( resid 108 and name H
) 3.7 1.7 1.7 volume=40720.805 peak=778 ppm1=7.631 ppm2=8.555
assign ( resid 106 and name H
)
( resid 104 and name H
) 3.8 1.8 1.8 volume=42120.656 peak=779 ppm1=7.631 ppm2=8.339
assign ( resid 106 and name H
)
( resid 102 and name HA
) 4.3 2.3 2.3 volume=88015.734 peak=780 ppm1=7.632 ppm2=4.017
assign ( resid 106 and name H
)
( resid 105 and name HD#
) 3.0 1.1 1.1 volume=140894.016 peak=781 ppm1=7.640 ppm2=6.992
assign ( resid 36 and name H
)
( resid 33 and name HA
) 4.2 2.2 2.2 volume=30594.633 peak=782 ppm1=7.563 ppm2=5.187
assign ( resid 103 and name H
)
( resid 37 and name HD1#
) 3.9 1.9 1.9 volume=29130.633 peak=783 ppm1=7.612 ppm2=0.248
assign ( resid 102 and name H
)
( resid 104 and name H
) 3.9 1.9 1.9 volume=36764.973 peak=784 ppm1=8.618 ppm2=8.345
assign ( resid 101 and name H
)
( resid 62 and name HA
) 4.2 2.2 2.2 volume=57942.242 peak=785 ppm1=8.869 ppm2=3.834
assign ( resid 100 and name H
)
( resid 101 and name H
) 4.0 2.0 2.0 volume=36906.844 peak=786 ppm1=8.373 ppm2=8.882
assign ( resid 36 and name H
)
( resid 34 and name HA
) 3.2 1.3 1.3 volume=118244.750 peak=787 ppm1=7.558 ppm2=4.494
assign ( resid 36 and name H
)
( resid 33 and name HB2
) 3.1 1.2 1.2 volume=127186.281 peak=788 ppm1=7.561 ppm2=2.846
assign ( resid 72 and name H
)
( resid 73 and name HB
) 4.1 2.1 2.1 volume=28189.215 peak=789 ppm1=7.468 ppm2=1.533
assign ( resid 67 and name H
)
( resid 69 and name H
) 3.5 1.5 1.5 volume=48319.477 peak=790 ppm1=8.195 ppm2=9.006
assign ( resid 20 and name H
)
( resid 23 and name H
) 4.4 2.4 2.4 volume=21240.967 peak=791 ppm1=8.380 ppm2=8.946
assign ( resid 40 and name H
)
( resid 114 and name HB2
) 4.2 2.2 2.2 volume=19482.963 peak=792 ppm1=8.944 ppm2=2.193
assign ( resid 90 and name H
)
( resid 118 and name H
) 4.2 2.2 2.2 volume=33293.891 peak=793 ppm1=9.549 ppm2=9.012
assign ( resid 88 and name H
)
( resid 89 and name H
) 3.8 1.8 1.8 volume=65078.449 peak=794 ppm1=9.197 ppm2=8.778
assign ( resid 37 and name H
)
( resid 62 and name H
) 4.0 2.0 2.0 volume=59528.320 peak=795 ppm1=9.306 ppm2=8.026
assign ( resid 37 and name H
)
( resid 61 and name HA
) 4.8 2.9 2.9 volume=53346.488 peak=796 ppm1=9.299 ppm2=4.423
assign ( resid 80 and name H
)
( resid 79 and name H
) 3.6 1.7 1.7 volume=47443.992 peak=797 ppm1=8.906 ppm2=7.619
assign ( resid 68 and name H
)
( resid 69 and name HB3
) 3.8 1.8 1.8 volume=39187.586 peak=798 ppm1=7.631 ppm2=3.181
assign ( resid 55 and name H
)
( resid 53 and name HA
) 3.6 1.6 1.6 volume=78343.508 peak=799 ppm1=7.335 ppm2=4.615
assign ( resid 21 and name H
)
( resid 23 and name H
) 4.0 2.0 2.0 volume=28210.736 peak=800 ppm1=7.555 ppm2=8.935
assign ( resid 74 and name H
)
( resid 71 and name H
) 4.0 2.0 2.0 volume=28695.979 peak=801 ppm1=8.307 ppm2=7.260
assign ( resid 74 and name H
)
( resid 72 and name HA
) 3.7 1.7 1.7 volume=42052.309 peak=802 ppm1=8.307 ppm2=3.625
assign ( resid 74 and name H
)
( resid 72 and name HB
) 3.7 1.7 1.7 volume=33795.148 peak=803 ppm1=8.300 ppm2=2.076
assign ( resid 74 and name H
)
( resid 73 and name HD1#
) 3.8 1.8 1.8 volume=63462.484 peak=804 ppm1=8.303 ppm2=-0.143
assign ( resid 75 and name H
)
( resid 73 and name HG2#
) 3.6 1.6 1.6 volume=55208.516 peak=805 ppm1=7.680 ppm2=0.393
assign ( resid 71 and name H
)
( resid 69 and name H
) 3.7 1.7 1.7 volume=43080.539 peak=806 ppm1=7.259 ppm2=9.019
assign ( resid 71 and name H
)
( resid 73 and name H
) 3.5 1.5 1.5 volume=101499.227 peak=807 ppm1=7.258 ppm2=7.662
assign ( resid 114 and name H
)
( resid 26 and name HG2#
) 4.2 2.2 2.2 volume=40826.219 peak=808 ppm1=9.460 ppm2=0.202
assign ( resid 64 and name H
)
( resid 100 and name HB
) 4.7 2.8 2.8 volume=66466.250 peak=809 ppm1=7.426 ppm2=4.746
assign ( resid 55 and name H
)
( resid 53 and name HB3
) 3.3 1.3 1.3 volume=95441.320 peak=810 ppm1=7.340 ppm2=1.807
assign ( resid 44 and name H
)
( resid 47 and name HB3
or resid 47 and name HB2
) 3.7 1.7 1.7 volume=60164.516 peak=811 ppm1=8.759 ppm2=2.260
assign ( resid 44 and name H
)
( resid 118 and name HG2#
) 3.5 1.5 1.5 volume=52996.363 peak=812 ppm1=8.766 ppm2=1.256
assign ( resid 19 and name H
)
( resid 21 and name H
) 4.4 2.4 2.4 volume=25022.318 peak=813 ppm1=8.696 ppm2=7.576
assign ( resid 37 and name H
)
( resid 59 and name HA
) 3.7 1.7 1.7 volume=46032.516 peak=814 ppm1=9.307 ppm2=4.928
assign ( resid 29 and name H
)
( resid 25 and name HA
) 2.9 1.1 1.1 volume=138508.969 peak=815 ppm1=7.968 ppm2=4.092
assign ( resid 28 and name H
)
( resid 27 and name HA
) 2.7 0.9 0.9 volume=425102.031 peak=816 ppm1=8.008 ppm2=4.113
assign ( resid 26 and name H
)
( resid 29 and name HD1#
) 2.8 1.0 1.0 volume=184619.312 peak=817 ppm1=8.263 ppm2=0.913
assign ( resid 23 and name H
)
( resid 20 and name HB#
) 3.6 1.6 1.6 volume=55763.191 peak=818 ppm1=8.950 ppm2=1.458
assign ( resid 21 and name H
)
( resid 21 and name HG13
) 3.1 1.2 1.2 volume=217728.703 peak=819 ppm1=7.558 ppm2=1.579
assign ( resid 109 and name H
)
( resid 105 and name HA
) 3.7 1.7 1.7 volume=99211.555 peak=820 ppm1=7.602 ppm2=3.948
assign ( resid 74 and name H
)
( resid 85 and name HE#
) 4.0 2.0 2.0 volume=36240.953 peak=821 ppm1=8.301 ppm2=6.755
assign ( resid 74 and name H
)
( resid 73 and name HG13
) 3.8 1.8 1.8 volume=41931.734 peak=822 ppm1=8.302 ppm2=0.117
assign ( resid 108 and name H
)
( resid 105 and name HA
) 3.6 1.6 1.6 volume=27349.232 peak=823 ppm1=8.521 ppm2=3.947
assign ( resid 24 and name H
)
( resid 20 and name HA
or resid 22 and name HA
) 3.2 1.3 1.3 volume=138640.250 peak=824 ppm1=8.118 ppm2=4.318
assign ( resid 44 and name H
)
( resid 118 and name HA
) 4.4 2.4 2.4 volume=21592.373 peak=825 ppm1=8.772 ppm2=6.262
assign ( resid 22 and name H
)
( resid 21 and name HG2#
) 2.8 1.0 1.0 volume=252022.188 peak=826 ppm1=8.410 ppm2=0.973
assign ( resid 22 and name H
)
( resid 21 and name HG12
) 3.5 1.5 1.5 volume=88935.828 peak=827 ppm1=8.414 ppm2=1.268
assign ( resid 26 and name H
)
( resid 25 and name HG3
) 3.8 1.8 1.8 volume=95248.664 peak=828 ppm1=8.267 ppm2=2.582
assign ( resid 26 and name H
)
( resid 25 and name H
) 2.8 1.0 1.0 volume=319904.656 peak=829 ppm1=8.256 ppm2=8.402
assign ( resid 47 and name H
)
( resid 46 and name HB2
) 3.4 1.5 1.5 volume=38980.293 peak=830 ppm1=7.893 ppm2=1.866
assign ( resid 70 and name H
)
( resid 69 and name HA
) 3.7 1.7 1.7 volume=64240.219 peak=831 ppm1=8.749 ppm2=4.446
assign ( resid 70 and name H
)
( resid 66 and name HA
) 3.6 1.6 1.6 volume=39052.727 peak=832 ppm1=8.753 ppm2=4.572
assign ( resid 72 and name H
)
( resid 74 and name H
) 4.4 2.5 2.5 volume=30418.396 peak=833 ppm1=7.466 ppm2=8.307
assign ( resid 84 and name H
)
( resid 83 and name HA
) 2.2 0.6 0.6 volume=836617.188 peak=834 ppm1=8.519 ppm2=4.317
assign ( resid 112 and name H
)
( resid 114 and name H
) 4.6 2.6 2.6 volume=33071.676 peak=835 ppm1=9.959 ppm2=9.449
assign ( resid 114 and name H
)
( resid 110 and name H
) 4.6 2.7 2.7 volume=19804.811 peak=836 ppm1=9.468 ppm2=9.274
assign ( resid 44 and name H
)
( resid 119 and name HD#
) 6.1 4.6 4.6 volume=30205.959 peak=837 ppm1=8.769 ppm2=6.514
assign ( resid 33 and name H
)
( resid 34 and name HD2
) 4.2 2.2 2.2 volume=53313.469 peak=838 ppm1=8.509 ppm2=3.578
assign ( resid 106 and name H
)
( resid 106 and name HD3
) 4.7 2.7 2.7 volume=34418.500 peak=839 ppm1=7.632 ppm2=3.315
assign ( resid 103 and name H
)
( resid 100 and name HG2#
) 3.6 1.6 1.6 volume=77732.688 peak=840 ppm1=7.604 ppm2=1.294
assign ( resid 103 and name H
)
( resid 101 and name H
) 3.8 1.8 1.8 volume=49268.547 peak=841 ppm1=7.596 ppm2=8.888
assign ( resid 29 and name H
)
( resid 28 and name HA3
) 2.3 0.7 0.7 volume=389434.562 peak=842 ppm1=7.968 ppm2=3.941
assign ( resid 84 and name H
)
( resid 83 and name HB3
) 2.8 1.0 1.0 volume=368457.438 peak=843 ppm1=8.519 ppm2=2.104
assign ( resid 25 and name H
)
( resid 114 and name HE#
) 3.2 1.3 1.3 volume=109458.664 peak=844 ppm1=8.393 ppm2=7.133
assign ( resid 112 and name H
)
( resid 110 and name H
) 5.0 3.1 3.1 volume=18129.729 peak=845 ppm1=9.956 ppm2=9.246
assign ( resid 111 and name H
)
( resid 112 and name H
) 2.6 0.9 0.9 volume=233216.188 peak=846 ppm1=8.850 ppm2=9.963
assign ( resid 111 and name H
)
( resid 113 and name H
) 3.8 1.9 1.9 volume=64232.414 peak=847 ppm1=8.850 ppm2=7.983
assign ( resid 122 and name H
)
( resid 122 and name HB3
) 3.6 1.6 1.6 volume=49189.613 peak=848 ppm1=7.498 ppm2=1.907
assign ( resid 30 and name H
)
( resid 32 and name H
) 3.3 1.4 1.4 volume=60191.906 peak=849 ppm1=8.710 ppm2=7.357
assign ( resid 41 and name H
)
( resid 58 and name H
) 3.9 1.9 1.9 volume=43197.879 peak=850 ppm1=9.190 ppm2=9.826
assign ( resid 47 and name H
)
( resid 47 and name HA
) 3.0 1.1 1.1 volume=136006.688 peak=851 ppm1=7.891 ppm2=4.453
assign ( resid 43 and name H
)
( resid 119 and name HE#
) 3.5 1.5 1.5 volume=62740.102 peak=852 ppm1=8.662 ppm2=6.499
assign ( resid 123 and name H
)
( resid 86 and name HE#
) 3.1 1.2 1.2 volume=103511.828 peak=853 ppm1=8.243 ppm2=6.648
assign ( resid 123 and name H
)
( resid 86 and name HD#
) 4.1 2.1 2.1 volume=27230.188 peak=854 ppm1=8.243 ppm2=6.822
assign ( resid 26 and name H
)
( resid 24 and name H
) 3.6 1.6 1.6 volume=61146.266 peak=855 ppm1=8.264 ppm2=8.125
assign ( resid 21 and name H
)
( resid 24 and name H
) 4.3 2.3 2.3 volume=21332.730 peak=856 ppm1=7.549 ppm2=8.076
assign ( resid 109 and name H
)
( resid 106 and name HA
) 4.7 2.7 2.7 volume=16872.537 peak=857 ppm1=7.599 ppm2=3.811
assign ( resid 26 and name H
)
( resid 28 and name H
or resid 29 and name H
) 3.6 1.6 1.6 volume=55620.066 peak=858 ppm1=8.264 ppm2=7.969
assign ( resid 35 and name H
)
( resid 35 and name HA
) 2.5 0.8 0.8 volume=402171.344 peak=859 ppm1=8.440 ppm2=4.790
assign ( resid 54 and name H
)
( resid 53 and name HB2
) 2.8 1.0 1.0 volume=311623.719 peak=860 ppm1=8.626 ppm2=1.947
assign ( resid 102 and name H
)
( resid 103 and name HA
) 4.0 2.0 2.0 volume=122833.266 peak=861 ppm1=8.623 ppm2=3.817
assign ( resid 72 and name H
)
( resid 69 and name HD#
) 3.7 1.7 1.7 volume=103600.156 peak=862 ppm1=7.466 ppm2=6.969
assign ( resid 73 and name H
)
( resid 69 and name HD#
) 3.8 1.8 1.8 volume=33065.836 peak=863 ppm1=7.678 ppm2=6.944
assign ( resid 74 and name H
)
( resid 73 and name HB
) 2.6 0.9 0.9 volume=332063.250 peak=864 ppm1=8.307 ppm2=1.586
assign ( resid 78 and name H
)
( resid 77 and name HB3
) 3.4 1.4 1.4 volume=111209.102 peak=865 ppm1=8.030 ppm2=1.788
assign ( resid 91 and name H
)
( resid 90 and name HB3
) 3.5 1.6 1.6 volume=70409.375 peak=866 ppm1=8.735 ppm2=3.265
assign ( resid 102 and name H
)
( resid 101 and name HA
) 3.3 1.4 1.4 volume=131140.922 peak=867 ppm1=8.616 ppm2=4.362
assign ( resid 102 and name H
)
( resid 103 and name HG2
or resid 103 and name HG3
) 3.8 1.8 1.8 volume=73773.461 peak=868 ppm1=8.616 ppm2=2.270
assign ( resid 113 and name H
)
( resid 26 and name HG1#
) 3.3 1.3 1.3 volume=84641.305 peak=869 ppm1=7.961 ppm2=0.824
assign ( resid 113 and name H
)
( resid 112 and name H
) 2.7 0.9 0.9 volume=228352.828 peak=870 ppm1=7.962 ppm2=9.949
assign ( resid 104 and name H
)
( resid 101 and name HA
) 3.2 1.3 1.3 volume=8315.163 peak=871 ppm1=8.328 ppm2=4.371
assign ( resid 104 and name H
)
( resid 103 and name HB3
or resid 103 and name HB2
) 3.3 1.4 1.4 volume=88945.234 peak=872 ppm1=8.330 ppm2=2.502
assign ( resid 105 and name H
)
( resid 102 and name HA
) 3.0 1.1 1.1 volume=153026.891 peak=873 ppm1=8.949 ppm2=4.029
assign ( resid 106 and name H
)
( resid 107 and name H
) 2.7 0.9 0.9 volume=360235.406 peak=874 ppm1=7.633 ppm2=7.542
assign ( resid 42 and name H
)
( resid 118 and name HG2#
) 4.1 2.1 2.1 volume=39888.543 peak=875 ppm1=8.309 ppm2=1.277
assign ( resid 30 and name H
)
( resid 27 and name HB#
or resid 31 and name HB#
) 3.0 1.1 1.1 volume=123734.602 peak=876 ppm1=8.711 ppm2=1.450
assign ( resid 54 and name H
)
( resid 53 and name HB3
) 3.0 1.1 1.1 volume=198867.766 peak=877 ppm1=8.628 ppm2=1.832
assign ( resid 25 and name H
)
( resid 22 and name HA
) 3.4 1.4 1.4 volume=204188.188 peak=878 ppm1=8.400 ppm2=4.317
assign ( resid 115 and name H
)
( resid 114 and name HA
) 3.3 1.4 1.4 volume=235215.922 peak=879 ppm1=7.894 ppm2=4.878
assign ( resid 117 and name H
)
( resid 118 and name H
) 4.0 2.0 2.0 volume=70016.469 peak=880 ppm1=9.559 ppm2=9.006
assign ( resid 115 and name H
)
( resid 39 and name HA
) 3.2 1.3 1.3 volume=164485.609 peak=881 ppm1=7.893 ppm2=4.998
assign ( resid 39 and name H
)
( resid 59 and name HA
) 3.3 1.3 1.3 volume=111595.805 peak=882 ppm1=8.967 ppm2=4.934
assign ( resid 80 and name H
)
( resid 79 and name HD2#
or resid 79 and name HD1#
) 2.9 1.0 1.0 volume=148106.906 peak=883 ppm1=8.901 ppm2=0.816
assign ( resid 46 and name H
)
( resid 44 and name HD#
) 7.3 6.6 6.6 volume=72099.312 peak=884 ppm1=5.477 ppm2=7.022
assign ( resid 46 and name H
)
( resid 44 and name HE#
) 3.6 1.7 1.7 volume=77567.445 peak=885 ppm1=5.511 ppm2=6.606
assign ( resid 60 and name H
)
( resid 37 and name HB
) 3.4 1.5 1.5 volume=110049.445 peak=886 ppm1=8.630 ppm2=1.653
assign ( resid 120 and name H
)
( resid 85 and name HD#
) 4.3 2.3 2.3 volume=33191.984 peak=887 ppm1=8.510 ppm2=6.934
assign ( resid 93 and name H
)
( resid 89 and name H
or resid 91 and name H
) 3.1 1.2 1.2 volume=132236.938 peak=888 ppm1=8.458 ppm2=8.734
assign ( resid 86 and name H
)
( resid 85 and name HD#
) 3.0 1.1 1.1 volume=124204.000 peak=889 ppm1=8.778 ppm2=6.914
assign ( resid 109 and name H
)
( resid 108 and name HB2
) 4.8 2.9 2.9 volume=138410.250 peak=890 ppm1=7.605 ppm2=2.815
assign ( resid 53 and name H
)
( resid 119 and name HE#
) 3.5 1.6 1.6 volume=59910.293 peak=891 ppm1=8.008 ppm2=6.483
assign ( resid 56 and name H
)
( resid 57 and name H
) 2.9 1.1 1.1 volume=170439.641 peak=892 ppm1=8.047 ppm2=7.503
assign ( resid 35 and name H
)
( resid 36 and name H
) 2.3 0.7 0.7 volume=434424.688 peak=893 ppm1=8.441 ppm2=7.570
assign ( resid 23 and name H
)
( resid 24 and name H
) 3.3 1.3 1.3 volume=79785.016 peak=894 ppm1=8.954 ppm2=8.118
assign ( resid 30 and name H
)
( resid 29 and name H
) 3.0 1.1 1.1 volume=151510.578 peak=895 ppm1=8.709 ppm2=7.968
assign ( resid 70 and name H
)
( resid 71 and name H
) 2.9 1.1 1.1 volume=178043.172 peak=896 ppm1=8.754 ppm2=7.260
assign ( resid 112 and name H
)
( resid 113 and name H
) 3.5 1.5 1.5 volume=108883.945 peak=897 ppm1=9.956 ppm2=7.981
assign ( resid 112 and name H
)
( resid 111 and name H
) 3.5 1.5 1.5 volume=112779.867 peak=898 ppm1=9.957 ppm2=8.850
assign ( resid 69 and name H
)
( resid 68 and name H
) 2.9 1.0 1.0 volume=158949.016 peak=899 ppm1=9.013 ppm2=7.632
assign ( resid 97 and name H
)
( resid 98 and name H
) 3.0 1.1 1.1 volume=224500.375 peak=900 ppm1=8.823 ppm2=8.103
assign ( resid 37 and name H
)
( resid 36 and name H
) 4.0 2.0 2.0 volume=32361.119 peak=901 ppm1=9.302 ppm2=7.571
assign ( resid 48 and name H
)
( resid 49 and name H
) 2.9 1.1 1.1 volume=143196.797 peak=902 ppm1=8.900 ppm2=8.237
assign ( resid 48 and name H
)
( resid 47 and name H
) 4.3 2.3 2.3 volume=33546.223 peak=903 ppm1=8.893 ppm2=7.896
assign ( resid 50 and name H
)
( resid 49 and name H
) 3.8 1.8 1.8 volume=45774.852 peak=904 ppm1=9.547 ppm2=8.220
assign ( resid 66 and name H
)
( resid 67 and name H
) 3.4 1.4 1.4 volume=104571.570 peak=905 ppm1=8.547 ppm2=8.191
assign ( resid 103 and name H
)
( resid 102 and name H
) 3.1 1.2 1.2 volume=116030.352 peak=906 ppm1=7.600 ppm2=8.630
assign ( resid 55 and name H
)
( resid 54 and name H
) 2.9 1.0 1.0 volume=129032.180 peak=907 ppm1=7.336 ppm2=8.636
assign ( resid 62 and name H
)
( resid 63 and name H
) 3.0 1.1 1.1 volume=108390.117 peak=908 ppm1=8.039 ppm2=9.209
assign ( resid 58 and name H
)
( resid 41 and name H
) 3.9 1.9 1.9 volume=32813.910 peak=909 ppm1=9.829 ppm2=9.167
assign ( resid 64 and name H
)
( resid 63 and name H
) 2.7 0.9 0.9 volume=279274.750 peak=910 ppm1=7.425 ppm2=9.191
assign ( resid 125 and name H
)
( resid 124 and name H
) 3.1 1.2 1.2 volume=109168.070 peak=911 ppm1=8.282 ppm2=7.255
assign ( resid 125 and name H
)
( resid 126 and name H
) 3.5 1.5 1.5 volume=172475.375 peak=912 ppm1=8.288 ppm2=8.043
assign ( resid 22 and name H
)
( resid 21 and name H
) 3.0 1.1 1.1 volume=126474.719 peak=913 ppm1=8.416 ppm2=7.567
assign ( resid 69 and name H
)
( resid 70 and name H
) 2.9 1.1 1.1 volume=140904.953 peak=914 ppm1=9.014 ppm2=8.754
assign ( resid 114 and name H
)
( resid 113 and name H
) 3.2 1.3 1.3 volume=62323.926 peak=915 ppm1=9.473 ppm2=7.944
assign ( resid 68 and name H
)
( resid 67 and name H
) 3.1 1.2 1.2 volume=119220.844 peak=916 ppm1=7.634 ppm2=8.188
assign ( resid 79 and name H
)
( resid 78 and name H
) 2.9 1.0 1.0 volume=160354.453 peak=917 ppm1=7.622 ppm2=8.032
assign ( resid 24 and name H
)
( resid 25 and name H
) 2.8 0.9 0.9 volume=290162.312 peak=918 ppm1=8.119 ppm2=8.388
assign ( resid 54 and name H
)
( resid 78 and name H
) 3.6 1.6 1.6 volume=72306.914 peak=919 ppm1=8.630 ppm2=8.012
assign ( resid 31 and name H
)
( resid 33 and name H
) 3.3 1.3 1.3 volume=89798.203 peak=920 ppm1=7.398 ppm2=8.510
assign ( resid 107 and name H
)
( resid 108 and name H
) 2.7 0.9 0.9 volume=256282.078 peak=921 ppm1=7.544 ppm2=8.521
assign ( resid 118 and name H
)
( resid 88 and name H
) 3.8 1.8 1.8 volume=107755.922 peak=922 ppm1=9.024 ppm2=9.194
assign ( resid 98 and name H
)
( resid 99 and name H
) 2.5 0.8 0.8 volume=509946.188 peak=923 ppm1=8.088 ppm2=7.199
assign ( resid 93 and name H
)
( resid 92 and name H
) 2.8 1.0 1.0 volume=336248.656 peak=924 ppm1=8.456 ppm2=7.905
assign ( resid 32 and name H
)
( resid 33 and name H
) 2.7 0.9 0.9 volume=264147.969 peak=925 ppm1=7.370 ppm2=8.513
assign ( resid 101 and name H
)
( resid 102 and name H
) 3.0 1.1 1.1 volume=112845.992 peak=926 ppm1=8.869 ppm2=8.611
assign ( resid 22 and name H
)
( resid 23 and name H
) 3.2 1.3 1.3 volume=129723.617 peak=927 ppm1=8.423 ppm2=8.949
assign ( resid 19 and name H
)
( resid 20 and name H
) 2.9 1.1 1.1 volume=180276.031 peak=928 ppm1=8.690 ppm2=8.381
assign ( resid 72 and name H
)
( resid 71 and name H
) 2.8 1.0 1.0 volume=172794.406 peak=929 ppm1=7.466 ppm2=7.258
assign ( resid 39 and name H
)
( resid 58 and name H
) 3.4 1.5 1.5 volume=76441.820 peak=930 ppm1=8.961 ppm2=9.833
assign ( resid 106 and name H
)
( resid 105 and name H
) 3.1 1.2 1.2 volume=139000.094 peak=931 ppm1=7.637 ppm2=8.952
assign ( resid 41 and name H
)
( resid 58 and name HE#
) 3.5 1.5 1.5 volume=54376.414 peak=932 ppm1=9.186 ppm2=7.069
assign ( resid 86 and name H
)
( resid 85 and name H
) 3.8 1.8 1.8 volume=37038.039 peak=933 ppm1=8.775 ppm2=7.383
assign ( resid 60 and name H
)
( resid 37 and name H
) 3.2 1.3 1.3 volume=83287.250 peak=934 ppm1=8.633 ppm2=9.308
assign ( resid 60 and name H
)
( resid 39 and name H
) 3.9 1.9 1.9 volume=37600.777 peak=935 ppm1=8.624 ppm2=8.993
assign ( resid 100 and name H
)
( resid 99 and name H
) 3.3 1.4 1.4 volume=116111.477 peak=936 ppm1=8.368 ppm2=7.206
assign ( resid 82 and name H
)
( resid 83 and name H
) 2.8 0.9 0.9 volume=186425.438 peak=937 ppm1=7.557 ppm2=7.837
assign ( resid 65 and name H
)
( resid 68 and name H
) 3.4 1.4 1.4 volume=88038.211 peak=938 ppm1=8.559 ppm2=7.628
assign ( resid 65 and name H
)
( resid 64 and name H
) 3.5 1.5 1.5 volume=61027.359 peak=939 ppm1=8.556 ppm2=7.432
assign ( resid 73 and name H
)
( resid 72 and name HB
) 3.0 1.1 1.1 volume=195832.891 peak=940 ppm1=7.679 ppm2=2.074
assign ( resid 22 and name H
)
( resid 21 and name HB
) 3.2 1.2 1.2 volume=196284.859 peak=941 ppm1=8.410 ppm2=2.073
assign ( resid 101 and name H
)
( resid 65 and name HA
) 3.7 1.7 1.7 volume=145161.047 peak=942 ppm1=8.872 ppm2=5.055
assign ( resid 106 and name H
)
( resid 105 and name HA
) 3.4 1.4 1.4 volume=81406.883 peak=943 ppm1=7.638 ppm2=3.951
assign ( resid 40 and name H
)
( resid 115 and name HB
) 3.6 1.7 1.7 volume=36978.082 peak=944 ppm1=8.945 ppm2=2.015
assign ( resid 63 and name H
)
( resid 63 and name HB3
) 2.2 0.6 0.6 volume=560504.688 peak=945 ppm1=9.187 ppm2=2.089
assign ( resid 79 and name H
)
( resid 77 and name HB3
) 3.5 1.5 1.5 volume=57503.266 peak=946 ppm1=7.623 ppm2=1.761
assign ( resid 70 and name H
)
( resid 67 and name HA
) 2.9 1.1 1.1 volume=132914.656 peak=947 ppm1=8.757 ppm2=3.946
assign ( resid 44 and name H
)
( resid 119 and name H
) 4.0 2.0 2.0 volume=39229.547 peak=948 ppm1=8.773 ppm2=7.682
assign ( resid 58 and name H
)
( resid 39 and name HB
) 3.9 1.9 1.9 volume=83239.102 peak=949 ppm1=9.822 ppm2=1.900
assign ( resid 89 and name H
)
( resid 93 and name H
) 3.5 1.6 1.6 volume=48879.598 peak=950 ppm1=8.778 ppm2=8.450
assign ( resid 104 and name H
)
( resid 105 and name H
) 3.3 1.3 1.3 volume=78018.281 peak=951 ppm1=8.332 ppm2=8.943
assign ( resid 112 and name H
)
( resid 111 and name HA
) 3.5 1.5 1.5 volume=72010.805 peak=952 ppm1=9.963 ppm2=4.141
assign ( resid 31 and name H
)
( resid 30 and name H
) 3.0 1.1 1.1 volume=126058.164 peak=953 ppm1=7.453 ppm2=8.712
assign ( resid 28 and name H
)
( resid 27 and name H
) 2.7 0.9 0.9 volume=271001.562 peak=954 ppm1=8.010 ppm2=8.247
assign ( resid 110 and name H
)
( resid 109 and name H
) 3.8 1.8 1.8 volume=47531.109 peak=955 ppm1=9.241 ppm2=7.613
assign ( resid 40 and name H
)
( resid 115 and name H
) 4.0 2.0 2.0 volume=39199.914 peak=956 ppm1=8.956 ppm2=7.893
assign ( resid 110 and name H
)
( resid 111 and name H
) 4.0 2.0 2.0 volume=40256.328 peak=957 ppm1=9.232 ppm2=8.850
assign ( resid 118 and name H
)
( resid 88 and name HB2
) 5.3 3.5 3.5 volume=46386.770 peak=958 ppm1=9.024 ppm2=1.765
assign ( resid 116 and name H
)
( resid 117 and name H
) 3.9 1.9 1.9 volume=28158.734 peak=959 ppm1=9.331 ppm2=9.561
assign ( resid 113 and name H
)
( resid 111 and name H
) 3.9 1.9 1.9 volume=56376.227 peak=960 ppm1=7.951 ppm2=8.850
assign ( resid 86 and name H
)
( resid 87 and name H
) 4.0 2.0 2.0 volume=52742.762 peak=961 ppm1=8.776 ppm2=8.469
assign ( resid 71 and name H
)
( resid 74 and name H
) 4.3 2.3 2.3 volume=37497.820 peak=962 ppm1=7.267 ppm2=8.315
assign ( resid 89 and name H
)
( resid 88 and name H
) 3.7 1.7 1.7 volume=51954.914 peak=963 ppm1=8.770 ppm2=9.178
assign ( resid 73 and name H
)
( resid 72 and name H
) 3.9 1.9 1.9 volume=108031.016 peak=964 ppm1=7.676 ppm2=7.471
assign ( resid 104 and name H
)
( resid 103 and name H
) 3.1 1.2 1.2 volume=153506.531 peak=965 ppm1=8.321 ppm2=7.614
assign ( resid 122 and name H
)
( resid 122 and name HA
) 3.7 1.8 1.8 volume=42118.871 peak=966 ppm1=7.504 ppm2=4.392
assign ( resid 97 and name H
)
( resid 99 and name H
) 3.7 1.7 1.7 volume=43399.258 peak=967 ppm1=8.820 ppm2=7.192
assign ( resid 58 and name H
)
( resid 57 and name HG2
) 3.5 1.6 1.6 volume=77857.555 peak=968 ppm1=9.828 ppm2=1.062
assign ( resid 81 and name H
)
( resid 82 and name H
) 3.3 1.4 1.4 volume=119645.320 peak=969 ppm1=8.596 ppm2=7.567
assign ( resid 100 and name H
)
( resid 103 and name HG2
or resid 103 and name HG3
) 3.9 1.9 1.9 volume=82605.406 peak=970 ppm1=8.368 ppm2=2.319
assign ( resid 81 and name H
)
( resid 80 and name H
) 3.8 1.8 1.8 volume=67154.766 peak=971 ppm1=8.597 ppm2=8.902
assign ( resid 67 and name H
)
( resid 65 and name HG1
) 3.2 1.3 1.3 volume=100881.625 peak=972 ppm1=8.193 ppm2=5.558
assign ( resid 96 and name H
)
( resid 97 and name H
) 4.1 2.1 2.1 volume=32078.562 peak=973 ppm1=8.150 ppm2=8.825
assign ( resid 68 and name H
)
( resid 65 and name HG1
) 3.3 1.3 1.3 volume=105036.289 peak=974 ppm1=7.632 ppm2=5.556
assign ( resid 79 and name H
)
( resid 77 and name HB2
) 3.0 1.1 1.1 volume=239327.359 peak=975 ppm1=7.623 ppm2=1.955
assign ( resid 48 and name H
)
( resid 47 and name HG3
) 3.3 1.4 1.4 volume=57799.172 peak=976 ppm1=8.904 ppm2=2.494
assign ( resid 99 and name H
)
( resid 66 and name HG3
) 3.3 1.4 1.4 volume=63843.125 peak=977 ppm1=7.200 ppm2=2.445
assign ( resid 99 and name H
)
( resid 66 and name H
) 4.2 2.2 2.2 volume=26163.033 peak=978 ppm1=7.193 ppm2=8.563
assign ( resid 99 and name H
)
( resid 98 and name HA
) 2.7 0.9 0.9 volume=318567.062 peak=979 ppm1=7.197 ppm2=4.602
assign ( resid 24 and name H
)
( resid 22 and name HA
) 3.1 1.2 1.2 volume=138637.359 peak=980 ppm1=8.120 ppm2=4.275
assign ( resid 22 and name H
)
( resid 19 and name HA
) 3.2 1.3 1.3 volume=177113.891 peak=981 ppm1=8.411 ppm2=4.041
assign ( resid 25 and name H
)
( resid 21 and name HA
) 3.7 1.7 1.7 volume=74517.422 peak=982 ppm1=8.394 ppm2=3.926
assign ( resid 80 and name H
)
( resid 79 and name HG
or resid 79 and name HB3
) 3.1 1.2 1.2 volume=208937.250 peak=983 ppm1=8.902 ppm2=1.499
assign ( resid 99 and name H
)
( resid 96 and name HB3
or resid 96 and name HB2
) 2.7 0.9 0.9 volume=152235.781 peak=984 ppm1=7.196 ppm2=3.895
assign ( resid 66 and name H
)
( resid 99 and name HB#
) 3.5 1.5 1.5 volume=56105.664 peak=985 ppm1=8.551 ppm2=1.514
assign ( resid 21 and name H
)
( resid 19 and name HA
) 4.2 2.2 2.2 volume=42728.840 peak=986 ppm1=7.559 ppm2=4.042
assign ( resid 28 and name H
)
( resid 24 and name HA
) 2.9 1.0 1.0 volume=311934.906 peak=987 ppm1=8.011 ppm2=4.158
assign ( resid 24 and name H
)
( resid 22 and name H
) 2.8 0.9 3.2 volume=290162.562 peak=988 ppm1=8.119 ppm2=8.409
assign ( resid 96 and name H
)
( resid 99 and name HB#
) 3.4 1.4 1.4 volume=64575.770 peak=989 ppm1=8.154 ppm2=1.578
assign ( resid 26 and name H
)
( resid 23 and name HA
) 3.5 1.6 1.6 volume=149884.188 peak=990 ppm1=8.264 ppm2=4.362
assign ( resid 27 and name H
)
( resid 23 and name HA
) 4.1 2.1 2.1 volume=54790.969 peak=991 ppm1=8.239 ppm2=4.325
assign ( resid 19 and name H
)
( resid 18 and name HB3
or resid 19 and name HA
) 2.8 1.0 1.0 volume=266645.688 peak=992 ppm1=8.692 ppm2=4.036
assign ( resid 18 and name H
)
( resid 19 and name H
) 3.0 1.1 3.0 volume=125978.672 peak=993 ppm1=8.362 ppm2=8.697
assign ( resid 68 and name H
)
( resid 70 and name H
) 4.4 2.5 2.5 volume=25701.832 peak=994 ppm1=7.635 ppm2=8.762
assign ( resid 74 and name H
)
( resid 70 and name HA
) 4.6 2.6 2.6 volume=42050.266 peak=995 ppm1=8.310 ppm2=3.592
assign ( resid 68 and name H
)
( resid 65 and name HB
) 3.1 1.2 1.2 volume=189253.938 peak=996 ppm1=7.633 ppm2=4.586
assign ( resid 70 and name H
)
( resid 68 and name HA
) 4.2 2.2 2.2 volume=69330.406 peak=997 ppm1=8.752 ppm2=4.106
assign ( resid 76 and name H
)
( resid 74 and name H
) 3.6 1.6 1.6 volume=81994.758 peak=998 ppm1=7.664 ppm2=8.316
assign ( resid 91 and name H
)
( resid 90 and name H
) 3.3 1.3 1.3 volume=106972.250 peak=999 ppm1=8.736 ppm2=9.553
assign ( resid 92 and name H
)
( resid 91 and name HB2
) 3.1 1.2 1.2 volume=79268.734 peak=1000 ppm1=7.910 ppm2=2.984
assign ( resid 93 and name H
)
( resid 90 and name HB3
) 4.0 2.0 2.0 volume=42399.117 peak=1001 ppm1=8.454 ppm2=3.261
assign ( resid 103 and name H
)
( resid 104 and name HG13
or resid 104 and name HG12
) 3.4 1.4 1.4 volume=71609.859 peak=1002 ppm1=7.603 ppm2=0.890
assign ( resid 42 and name H
)
( resid 118 and name HA
) 3.3 1.4 1.4 volume=74827.984 peak=1003 ppm1=8.308 ppm2=6.257
assign ( resid 42 and name H
)
( resid 119 and name HD#
) 3.6 1.7 1.7 volume=58219.734 peak=1004 ppm1=8.303 ppm2=6.623
assign ( resid 57 and name H
)
( resid 55 and name HG3
) 4.4 2.4 2.4 volume=36593.234 peak=1005 ppm1=7.500 ppm2=1.119
assign ( resid 54 and name H
)
( resid 77 and name HA
) 3.3 1.3 1.3 volume=183608.812 peak=1006 ppm1=8.627 ppm2=4.322
assign ( resid 79 and name H
)
( resid 80 and name H
) 4.0 2.0 2.0 volume=57753.312 peak=1007 ppm1=7.613 ppm2=8.900
assign ( resid 108 and name H
)
( resid 107 and name H
or resid 109 and name H
) 2.2 0.6 0.6 volume=506933.594 peak=1008 ppm1=8.524 ppm2=7.569
assign ( resid 49 and name H
)
( resid 47 and name HA
) 4.2 2.2 2.2 volume=62075.066 peak=1009 ppm1=8.232 ppm2=4.487
assign ( resid 122 and name H
)
( resid 86 and name HD#
) 4.3 2.3 2.3 volume=24903.824 peak=1010 ppm1=7.508 ppm2=6.872
assign ( resid 86 and name H
)
( resid 85 and name HA
) 2.9 1.0 1.0 volume=249663.250 peak=1011 ppm1=8.773 ppm2=4.588
assign ( resid 15 and name H
)
( resid 14 and name HA
) 4.2 2.2 2.2 volume=44090.570 peak=1012 ppm1=8.346 ppm2=4.250
assign ( resid 25 and name H
)
( resid 23 and name H
) 3.7 1.7 1.7 volume=71475.930 peak=1013 ppm1=8.394 ppm2=8.944
assign ( resid 22 and name H
)
( resid 21 and name H
) 4.0 2.0 2.0 volume=123850.172 peak=1014 ppm1=8.415 ppm2=7.564
assign ( resid 119 and name H
)
( resid 118 and name H
) 4.7 2.8 2.8 volume=28374.176 peak=1015 ppm1=7.665 ppm2=9.047
assign ( resid 119 and name H
)
( resid 42 and name H
) 4.5 2.5 2.5 volume=25344.297 peak=1016 ppm1=7.663 ppm2=8.299
assign ( resid 23 and name HE21
)
( resid 112 and name HB3
) 3.9 1.9 1.9 volume=59177.738 peak=1017 ppm1=7.139 ppm2=2.707
assign ( resid 23 and name HE21
)
( resid 112 and name HA
) 4.8 2.9 2.9 volume=61274.383 peak=1018 ppm1=7.139 ppm2=4.326
assign ( resid 47 and name H
)
( resid 44 and name H
) 5.2 3.3 3.3 volume=22085.508 peak=1019 ppm1=7.887 ppm2=8.777
assign ( resid 53 and name H
)
( resid 52 and name HB3
) 2.7 0.9 0.9 volume=435229.375 peak=1020 ppm1=8.009 ppm2=2.006
assign ( resid 35 and name H
)
( resid 34 and name HD2
) 3.3 1.4 1.4 volume=102960.406 peak=1021 ppm1=8.437 ppm2=3.570
assign ( resid 25 and name H
)
( resid 24 and name HB3
or resid 24 and name HG3
) 2.4 0.7 0.7 volume=554519.812 peak=1022 ppm1=8.395 ppm2=2.231
assign ( resid 70 and name H
)
( resid 70 and name HD2#
or resid 70 and name HD1#
) 3.2 1.3 1.3 volume=253267.734 peak=1023 ppm1=8.753 ppm2=0.883
assign ( resid 105 and name H
)
( resid 103 and name HA
) 4.0 2.0 2.0 volume=57613.016 peak=1024 ppm1=8.954 ppm2=3.821
assign ( resid 97 and name H
)
( resid 96 and name HA
) 2.3 0.6 0.6 volume=599199.375 peak=1025 ppm1=8.820 ppm2=4.597
assign ( resid 26 and name H
)
( resid 25 and name HB2
) 2.6 0.8 0.8 volume=394868.188 peak=1026 ppm1=8.262 ppm2=2.439
assign ( resid 23 and name H
)
( resid 19 and name HA
) 5.1 3.2 3.2 volume=14206.055 peak=1027 ppm1=8.912 ppm2=4.080
assign ( resid 21 and name H
)
( resid 18 and name HA
) 3.6 1.7 1.7 volume=149438.172 peak=1028 ppm1=7.563 ppm2=4.382
assign ( resid 21 and name H
)
( resid 19 and name H
) 3.8 1.8 1.8 volume=31973.588 peak=1029 ppm1=7.559 ppm2=8.693
assign ( resid 21 and name H
)
( resid 20 and name HA
) 3.1 1.2 1.2 volume=146723.578 peak=1030 ppm1=7.562 ppm2=4.318
assign ( resid 27 and name H
)
( resid 27 and name HA
) 2.3 0.7 0.7 volume=461297.219 peak=1031 ppm1=8.240 ppm2=4.132
assign ( resid 22 and name H
)
( resid 20 and name HA
) 3.0 1.1 1.1 volume=737307.938 peak=1032 ppm1=8.415 ppm2=4.304
assign ( resid 29 and name H
)
( resid 31 and name H
or resid 32 and name H
) 3.3 1.3 1.3 volume=63687.148 peak=1033 ppm1=7.967 ppm2=7.398
assign ( resid 77 and name H
)
( resid 53 and name HD2#
) 3.9 1.9 1.9 volume=60764.707 peak=1034 ppm1=7.588 ppm2=0.851
assign ( resid 37 and name H
)
( resid 36 and name HD3
) 3.6 1.6 1.6 volume=54925.875 peak=1035 ppm1=9.312 ppm2=1.324
assign ( resid 106 and name H
)
( resid 108 and name H
) 5.2 3.4 3.4 volume=39163.781 peak=1036 ppm1=7.630 ppm2=8.542
assign ( resid 49 and name H
)
( resid 48 and name HA
) 3.2 1.3 1.3 volume=149125.250 peak=1037 ppm1=8.235 ppm2=4.633
assign ( resid 126 and name H
)
( resid 125 and name HB3
) 2.5 0.8 0.8 volume=346944.125 peak=1038 ppm1=8.038 ppm2=3.091
assign ( resid 102 and name H
)
( resid 101 and name HB2
or resid 101 and name HB3
) 2.5 0.8 0.8 volume=307896.062 peak=1039 ppm1=8.623 ppm2=2.003
assign ( resid 58 and name H
)
( resid 39 and name HG2#
or resid 41 and name HG2#
) 3.1 1.2 1.2 volume=115616.273 peak=1040 ppm1=9.825 ppm2=0.929
assign ( resid 78 and name H
)
( resid 53 and name HD2#
) 2.3 0.6 0.6 volume=556500.438 peak=1041 ppm1=8.032 ppm2=0.893
assign ( resid 103 and name H
)
( resid 105 and name H
) 3.8 1.8 1.8 volume=43101.621 peak=1042 ppm1=7.598 ppm2=8.950
assign ( resid 69 and name H
)
( resid 64 and name HD2#
) 2.5 0.8 0.8 volume=231738.734 peak=1043 ppm1=9.012 ppm2=0.891
assign ( resid 89 and name H
)
( resid 93 and name HB2
) 4.0 2.0 2.0 volume=41059.277 peak=1044 ppm1=8.769 ppm2=3.759
assign ( resid 123 and name H
)
( resid 123 and name HB2
) 2.3 0.7 0.7 volume=378395.000 peak=1045 ppm1=8.246 ppm2=1.567
assign ( resid 55 and name H
)
( resid 53 and name HD2#
or resid 53 and name HD1#
) 2.9 1.0 1.0 volume=115782.602 peak=1046 ppm1=7.339 ppm2=0.887
assign ( resid 37 and name H
)
( resid 37 and name HG2#
or resid 60 and name HG1#
) 2.8 1.0 1.0 volume=156053.547 peak=1047 ppm1=9.306 ppm2=0.535
assign ( resid 93 and name H
)
( resid 89 and name HG2#
) 3.7 1.7 1.7 volume=34608.527 peak=1048 ppm1=8.454 ppm2=0.742
assign ( resid 97 and name H
)
( resid 97 and name HG3
) 3.0 1.1 1.1 volume=216113.000 peak=1049 ppm1=8.824 ppm2=2.635
assign ( resid 97 and name H
)
( resid 97 and name HG2
) 3.0 1.1 1.1 volume=193463.188 peak=1050 ppm1=8.819 ppm2=2.894
assign ( resid 97 and name H
)
( resid 97 and name HB3
) 2.9 1.1 1.1 volume=198195.500 peak=1051 ppm1=8.817 ppm2=2.041
assign ( resid 114 and name H
)
( resid 110 and name HB2
) 4.2 2.3 2.3 volume=25107.953 peak=1052 ppm1=9.498 ppm2=3.758
assign ( resid 114 and name H
)
( resid 114 and name HD#
) 3.4 1.5 1.5 volume=82355.891 peak=1053 ppm1=9.478 ppm2=7.136
assign ( resid 69 and name H
)
( resid 64 and name HG
) 3.9 1.9 1.9 volume=147955.250 peak=1054 ppm1=9.012 ppm2=1.976
assign ( resid 83 and name H
)
( resid 83 and name HB3
) 2.4 0.7 0.7 volume=367076.719 peak=1055 ppm1=7.845 ppm2=2.100
assign ( resid 15 and name H
)
( resid 14 and name HB3
) 3.3 1.4 1.4 volume=60142.398 peak=1056 ppm1=8.352 ppm2=1.698
assign ( resid 41 and name H
)
( resid 41 and name HG2#
) 2.7 0.9 0.9 volume=255194.625 peak=1057 ppm1=9.187 ppm2=0.880
assign ( resid 68 and name H
)
( resid 68 and name HG3
) 2.4 0.7 0.7 volume=363602.344 peak=1058 ppm1=7.635 ppm2=2.440
assign ( resid 66 and name H
)
( resid 66 and name HB3
) 2.9 1.0 1.0 volume=160780.844 peak=1059 ppm1=8.545 ppm2=2.118
assign ( resid 66 and name H
)
( resid 66 and name HG2
) 3.2 1.3 1.3 volume=91061.656 peak=1060 ppm1=8.545 ppm2=2.757
assign ( resid 75 and name H
)
( resid 75 and name HA
) 2.4 0.7 0.7 volume=505723.125 peak=1061 ppm1=7.679 ppm2=4.283
assign ( resid 89 and name H
)
( resid 89 and name HB
) 3.2 1.3 1.3 volume=204444.000 peak=1062 ppm1=8.770 ppm2=1.637
assign ( resid 91 and name H
)
( resid 91 and name HB2
) 2.9 1.0 1.0 volume=126923.695 peak=1063 ppm1=8.735 ppm2=2.965
assign ( resid 92 and name H
)
( resid 92 and name HA
) 2.5 0.8 0.8 volume=346492.719 peak=1064 ppm1=7.910 ppm2=4.642
assign ( resid 102 and name H
)
( resid 102 and name HA
) 2.7 0.9 0.9 volume=359299.781 peak=1065 ppm1=8.627 ppm2=4.027
assign ( resid 105 and name H
)
( resid 105 and name HB3
) 2.4 0.7 0.7 volume=329319.250 peak=1066 ppm1=8.952 ppm2=3.077
assign ( resid 108 and name H
)
( resid 108 and name HA
) 2.7 0.9 0.9 volume=282559.562 peak=1067 ppm1=8.521 ppm2=4.911
assign ( resid 118 and name H
)
( resid 118 and name HG2#
) 3.0 1.2 1.2 volume=147920.812 peak=1068 ppm1=9.026 ppm2=1.266
assign ( resid 26 and name H
)
( resid 26 and name HG1#
) 2.6 0.8 0.8 volume=270904.781 peak=1069 ppm1=8.262 ppm2=0.822
assign ( resid 67 and name H
)
( resid 67 and name HB
) 2.3 0.7 0.7 volume=492711.531 peak=1070 ppm1=8.194 ppm2=4.075
assign ( resid 67 and name H
)
( resid 67 and name HA
) 2.5 0.8 0.8 volume=328659.062 peak=1071 ppm1=8.192 ppm2=3.902
assign ( resid 69 and name H
)
( resid 69 and name HB3
) 2.4 0.7 0.7 volume=346130.625 peak=1072 ppm1=9.013 ppm2=3.187
assign ( resid 79 and name H
)
( resid 79 and name HB3
or resid 79 and name HB2
) 2.4 0.7 0.7 volume=394750.406 peak=1073 ppm1=7.621 ppm2=1.463
assign ( resid 116 and name H
)
( resid 116 and name HB2
or resid 116 and name HB3
) 3.1 1.2 1.2 volume=104075.648 peak=1074 ppm1=9.327 ppm2=2.860
assign ( resid 102 and name H
)
( resid 102 and name HB#
) 2.2 0.6 0.6 volume=688997.875 peak=1075 ppm1=8.626 ppm2=1.427
assign ( resid 119 and name HE#
)
( resid 53 and name HG
) 3.3 1.3 1.3 volume=1774979.750 peak=1076 ppm1=6.497 ppm2=1.799
assign ( resid 33 and name HD#
)
( resid 29 and name HG2#
) 2.3 0.7 0.7 volume=11144691.000 peak=1077 ppm1=7.362 ppm2=1.004
assign ( resid 33 and name HD#
)
( resid 29 and name HA
) 2.7 0.9 0.9 volume=4858408.500 peak=1078 ppm1=7.361 ppm2=3.910
assign ( resid 73 and name HD1#
)
( resid 85 and name HE#
) 3.3 1.3 1.3 volume=1496567.250 peak=1079 ppm1=-0.144 ppm2=6.799
assign ( resid 37 and name HD1#
)
( resid 105 and name HB3
) 2.8 1.0 1.0 volume=3642552.750 peak=1080 ppm1=0.303 ppm2=3.058
assign ( resid 37 and name HD1#
)
( resid 105 and name HB3
) 2.9 1.0 1.0 volume=3446856.500 peak=1081 ppm1=0.302 ppm2=3.125
assign ( resid 69 and name HD#
)
( resid 73 and name HD1#
) 3.2 1.3 1.3 volume=1932680.000 peak=1082 ppm1=6.992 ppm2=-0.139
assign ( resid 40 and name HB
)
( resid 116 and name HA
) 2.1 0.6 0.6 volume=19013528.000 peak=1083 ppm1=1.304 ppm2=5.093
assign ( resid 29 and name HG2#
)
( resid 33 and name HD#
) 2.3 0.7 0.7 volume=11355938.000 peak=1084 ppm1=1.006 ppm2=7.359
assign ( resid 114 and name HE#
)
( resid 38 and name HB3
) 2.5 0.8 0.8 volume=7347376.500 peak=1085 ppm1=7.102 ppm2=1.734
assign ( resid 105 and name HD#
)
( resid 37 and name HG2#
) 2.8 1.0 1.0 volume=4826145.500 peak=1086 ppm1=7.049 ppm2=0.479
assign ( resid 56 and name HG2#
)
( resid 40 and name HG1#
) 3.0 1.1 1.1 volume=2825837.250 peak=1087 ppm1=1.283 ppm2=-0.355
assign ( resid 37 and name HG2#
)
( resid 37 and name HA
) 2.7 0.9 0.9 volume=4603363.000 peak=1088 ppm1=0.493 ppm2=4.163
assign ( resid 116 and name HE#
)
( resid 40 and name HG1#
) 3.0 1.2 1.2 volume=2372399.750 peak=1089 ppm1=7.144 ppm2=-0.360
assign ( resid 85 and name HB3
)
( resid 50 and name HD1#
) 2.3 0.7 0.7 volume=10697816.000 peak=1090 ppm1=2.829 ppm2=0.953
assign ( resid 85 and name HE#
)
( resid 73 and name HG2#
) 3.2 1.3 1.3 volume=2506570.250 peak=1091 ppm1=6.806 ppm2=0.400
assign ( resid 108 and name HE#
)
( resid 108 and name HD#
) 2.2 0.6 0.6 volume=15245783.000 peak=1092 ppm1=6.904 ppm2=7.421
assign ( resid 41 and name HG1#
)
( resid 119 and name HD#
) 2.3 0.7 0.7 volume=10895182.000 peak=1093 ppm1=0.901 ppm2=6.627
assign ( resid 77 and name HE#
)
( resid 85 and name HE#
) 2.7 0.9 0.9 volume=4212430.500 peak=1094 ppm1=1.407 ppm2=6.803
assign ( resid 85 and name HE#
)
( resid 77 and name HE#
) 2.9 1.0 1.0 volume=3536009.500 peak=1095 ppm1=6.800 ppm2=1.407
assign ( resid 41 and name HG1#
)
( resid 73 and name HD1#
) 2.2 0.6 0.6 volume=16798668.000 peak=1096 ppm1=0.900 ppm2=-0.145
assign ( resid 73 and name HD1#
)
( resid 41 and name HG1#
) 2.2 0.6 0.6 volume=17143296.000 peak=1097 ppm1=-0.142 ppm2=0.897
assign ( resid 102 and name HB#
)
( resid 37 and name HD1#
) 2.4 0.7 0.7 volume=8143740.500 peak=1098 ppm1=1.450 ppm2=0.300
assign ( resid 37 and name HD1#
)
( resid 102 and name HB#
) 2.5 0.8 0.8 volume=8071339.000 peak=1099 ppm1=0.300 ppm2=1.447
assign ( resid 101 and name HE#
)
( resid 66 and name HA
) 2.0 0.5 0.5 volume=29647866.000 peak=1100 ppm1=1.306 ppm2=4.616
assign ( resid 69 and name HE#
)
( resid 73 and name HD1#
) 3.0 1.1 1.1 volume=2594535.250 peak=1101 ppm1=6.944 ppm2=-0.143
assign ( resid 73 and name HD1#
)
( resid 69 and name HE#
) 2.8 1.0 1.0 volume=3404106.750 peak=1102 ppm1=-0.142 ppm2=6.950
assign ( resid 119 and name HE#
)
( resid 77 and name HE#
) 3.1 1.2 1.2 volume=2211747.750 peak=1103 ppm1=6.495 ppm2=1.406
assign ( resid 77 and name HE#
)
( resid 119 and name HE#
) 2.8 1.0 1.0 volume=3758883.750 peak=1104 ppm1=1.407 ppm2=6.494
assign ( resid 85 and name HD#
)
( resid 84 and name HA
) 3.0 1.1 1.1 volume=2419469.000 peak=1105 ppm1=6.964 ppm2=4.207
assign ( resid 37 and name HD1#
)
( resid 102 and name HA
) 2.7 0.9 0.9 volume=6164513.000 peak=1106 ppm1=0.302 ppm2=4.040
assign ( resid 40 and name HG1#
)
( resid 56 and name HG2#
) 3.3 1.4 1.4 volume=1650391.000 peak=1107 ppm1=-0.357 ppm2=1.272
assign ( resid 40 and name HG1#
)
( resid 116 and name HE#
) 3.3 1.4 1.4 volume=1484829.375 peak=1108 ppm1=-0.341 ppm2=7.156
assign ( resid 44 and name HD#
)
( resid 118 and name HG2#
) 2.6 0.8 0.8 volume=7777343.500 peak=1109 ppm1=7.079 ppm2=1.283
assign ( resid 118 and name HG2#
)
( resid 44 and name HD#
) 2.8 1.0 1.0 volume=8021062.500 peak=1110 ppm1=1.274 ppm2=7.079
assign ( resid 37 and name HG2#
)
( resid 105 and name HD#
) 2.6 0.9 0.9 volume=6150052.500 peak=1111 ppm1=0.465 ppm2=7.060
assign ( resid 114 and name HD#
or resid 114 and name HE#
)
( resid 26 and name HG2#
) 3.0 1.1 1.1 volume=3738521.250 peak=1112 ppm1=7.100 ppm2=0.196
assign ( resid 26 and name HG2#
)
( resid 114 and name HD#
or resid 114 and name HE#
) 2.8 1.0 1.0 volume=3338018.500 peak=1113 ppm1=0.194 ppm2=7.100
assign ( resid 77 and name HE#
)
( resid 73 and name HG2#
) 2.5 0.8 0.8 volume=7838419.000 peak=1114 ppm1=1.407 ppm2=0.395
assign ( resid 73 and name HG2#
)
( resid 77 and name HE#
) 2.7 0.9 0.9 volume=6700972.000 peak=1115 ppm1=0.398 ppm2=1.406
assign ( resid 108 and name HD#
)
( resid 104 and name HA
) 2.8 1.0 1.0 volume=3919741.500 peak=1116 ppm1=7.422 ppm2=4.129
assign ( resid 43 and name HB3
)
( resid 119 and name HE#
) 3.4 1.4 1.4 volume=1408453.750 peak=1117 ppm1=1.717 ppm2=6.502
assign ( resid 119 and name HD#
)
( resid 77 and name HE#
) 3.0 1.1 1.1 volume=3437850.250 peak=1118 ppm1=6.612 ppm2=1.406
assign ( resid 77 and name HE#
)
( resid 119 and name HD#
) 3.1 1.2 1.2 volume=4402987.500 peak=1119 ppm1=1.404 ppm2=6.618
assign ( resid 73 and name HG2#
)
( resid 85 and name HE#
) 3.0 1.1 1.1 volume=2854942.500 peak=1120 ppm1=0.401 ppm2=6.801
assign ( resid 38 and name HB3
)
( resid 114 and name HE#
) 2.7 0.9 0.9 volume=5350920.000 peak=1121 ppm1=1.733 ppm2=7.100
assign ( resid 69 and name HD#
)
( resid 64 and name HD2#
or resid 72 and name HD1#
) 2.6 0.8 0.8 volume=12838138.000 peak=1122 ppm1=6.949 ppm2=0.943
assign ( resid 116 and name HA
)
( resid 40 and name HB
) 3.1 1.2 1.2 volume=2493642.000 peak=1123 ppm1=5.099 ppm2=1.302
assign ( resid 37 and name HD1#
)
( resid 101 and name HB2
or resid 101 and name HB3
) 2.8 1.0 1.0 volume=5021003.000 peak=1124 ppm1=0.301 ppm2=2.012
assign ( resid 105 and name HD#
)
( resid 109 and name HB3
) 2.8 1.0 1.0 volume=9790892.000 peak=1125 ppm1=6.982 ppm2=1.353
assign ( resid 108 and name HD#
)
( resid 108 and name HE#
) 2.3 0.6 0.6 volume=25561352.000 peak=1126 ppm1=7.414 ppm2=6.885
assign ( resid 119 and name HD#
)
( resid 85 and name HE#
) 2.3 0.7 0.7 volume=15874219.000 peak=1127 ppm1=6.670 ppm2=6.848
assign ( resid 105 and name HE#
)
( resid 109 and name HB3
) 2.8 1.0 1.0 volume=8853016.000 peak=1128 ppm1=6.922 ppm2=1.396
assign ( resid 108 and name HE#
)
( resid 104 and name HA
) 2.5 0.8 0.8 volume=11990847.000 peak=1129 ppm1=6.898 ppm2=4.127
assign ( resid 108 and name HE#
)
( resid 107 and name HB2
) 3.0 1.1 1.1 volume=14421948.000 peak=1130 ppm1=6.895 ppm2=1.908
assign ( resid 114 and name HE#
)
( resid 38 and name HB2
) 2.5 0.8 0.8 volume=9254694.000 peak=1131 ppm1=7.100 ppm2=2.229
assign ( resid 105 and name HD#
)
( resid 37 and name HG2#
) 2.6 0.8 0.8 volume=7938082.500 peak=1132 ppm1=7.014 ppm2=0.470
assign ( resid 44 and name HD#
)
( resid 46 and name HB2
) 2.9 1.0 1.0 volume=7595911.000 peak=1133 ppm1=7.040 ppm2=1.866
assign ( resid 114 and name HE#
)
( resid 38 and name HB3
) 2.8 1.0 1.0 volume=6403008.000 peak=1134 ppm1=7.100 ppm2=1.763
assign ( resid 108 and name HD#
)
( resid 104 and name HG2#
) 3.2 1.3 1.3 volume=9218451.000 peak=1135 ppm1=7.414 ppm2=0.967
assign ( resid 105 and name HD#
)
( resid 115 and name HG2#
) 3.2 1.3 1.3 volume=8431663.000 peak=1136 ppm1=7.038 ppm2=1.008
assign ( resid 69 and name HD#
)
( resid 64 and name HD2#
) 2.7 0.9 0.9 volume=9626374.000 peak=1137 ppm1=6.969 ppm2=0.915
assign ( resid 108 and name HD#
)
( resid 104 and name HA
) 2.7 0.9 0.9 volume=10973681.000 peak=1138 ppm1=7.414 ppm2=4.145
assign ( resid 44 and name HD#
)
( resid 118 and name HG2#
) 2.5 0.8 0.8 volume=11795901.000 peak=1139 ppm1=7.053 ppm2=1.285
assign ( resid 69 and name HD#
)
( resid 72 and name HB
) 2.7 0.9 0.9 volume=7983373.500 peak=1140 ppm1=6.956 ppm2=1.974
assign ( resid 119 and name HD#
)
( resid 41 and name HG1#
) 2.3 0.7 0.7 volume=13809309.000 peak=1141 ppm1=6.625 ppm2=0.916
assign ( resid 116 and name HE#
)
( resid 40 and name HB
) 2.6 0.8 0.8 volume=6714415.500 peak=1142 ppm1=7.155 ppm2=1.307
assign ( resid 69 and name HE#
)
( resid 60 and name HG1#
) 2.8 0.9 0.9 volume=7895423.000 peak=1143 ppm1=6.956 ppm2=0.601
assign ( resid 114 and name HE#
)
( resid 25 and name HB2
) 3.0 1.1 1.1 volume=4893193.000 peak=1144 ppm1=7.078 ppm2=2.471
assign ( resid 85 and name HD#
)
( resid 119 and name HD#
) 2.7 0.9 0.9 volume=7557366.000 peak=1145 ppm1=6.970 ppm2=6.596
assign ( resid 86 and name HE#
)
( resid 122 and name HA
) 2.5 0.8 0.8 volume=15026233.000 peak=1146 ppm1=6.663 ppm2=4.420
assign ( resid 116 and name HE#
)
( resid 110 and name HB3
) 2.8 1.0 1.0 volume=8242830.000 peak=1147 ppm1=7.161 ppm2=3.165
assign ( resid 116 and name HD#
)
( resid 40 and name HB
) 2.8 1.0 1.0 volume=7809297.000 peak=1148 ppm1=7.302 ppm2=1.297
assign ( resid 119 and name HE#
)
( resid 53 and name HD1#
) 2.7 0.9 0.9 volume=13920138.000 peak=1149 ppm1=6.488 ppm2=0.963
assign ( resid 85 and name HD#
)
( resid 77 and name HE#
) 2.8 1.0 1.0 volume=7329971.000 peak=1150 ppm1=6.929 ppm2=1.391
assign ( resid 44 and name HE#
)
( resid 118 and name HG2#
) 2.3 0.7 0.7 volume=14046276.000 peak=1151 ppm1=6.583 ppm2=1.245
assign ( resid 119 and name HE#
)
( resid 77 and name HE#
) 3.0 1.1 1.1 volume=9441562.000 peak=1152 ppm1=6.488 ppm2=1.403
assign ( resid 44 and name HD#
)
( resid 120 and name HB#
) 2.9 1.1 1.1 volume=9234755.000 peak=1153 ppm1=7.042 ppm2=1.530
assign ( resid 119 and name HE#
)
( resid 53 and name HD2#
) 2.2 0.6 0.6 volume=15797211.000 peak=1154 ppm1=6.487 ppm2=0.865
assign ( resid 58 and name HD#
)
( resid 41 and name HG2#
) 2.3 0.6 0.6 volume=14318062.000 peak=1155 ppm1=7.308 ppm2=0.898
assign ( resid 69 and name HD#
)
( resid 60 and name HG1#
) 2.9 1.1 1.1 volume=8394346.000 peak=1156 ppm1=6.984 ppm2=0.596
assign ( resid 44 and name HE#
)
( resid 46 and name HG3
or resid 46 and name HG2
) 2.4 0.7 0.7 volume=12612061.000 peak=1157 ppm1=6.588 ppm2=1.435
assign ( resid 44 and name HD#
)
( resid 118 and name HG2#
) 2.8 1.0 1.0 volume=9177396.000 peak=1158 ppm1=7.074 ppm2=1.272
assign ( resid 108 and name HE#
)
( resid 104 and name HD1#
) 2.0 0.5 0.5 volume=37458836.000 peak=1159 ppm1=6.902 ppm2=0.885
assign ( resid 108 and name HD#
)
( resid 104 and name HD1#
) 3.0 1.1 1.1 volume=7942770.500 peak=1160 ppm1=7.416 ppm2=0.885
assign ( resid 105 and name HD#
)
( resid 37 and name HG2#
) 3.0 1.1 1.1 volume=6800387.000 peak=1161 ppm1=7.020 ppm2=0.476
assign ( resid 108 and name HE#
)
( resid 107 and name HB3
) 2.4 0.7 0.7 volume=15050974.000 peak=1162 ppm1=6.894 ppm2=2.337
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