NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
601420 |
5ion   |
30032 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 2: Ambig_NOE.tbl
assign ( resid 22 and name HN
)
( resid 19 and name HB1
or resid 24 and name HB1
) 3.5 1.7 0.7 volume=816489.695 peak=1 ppm1=7.299 ppm2=1.630
assign ( resid 4 and name HD1
or resid 4 and name HD2
or resid 19 and name HN
)
( resid 16 and name HA
) 3.1 1.3 0.6 volume=1626283.750 peak=2 ppm1=6.791 ppm2=3.161
assign ( resid 19 and name HN
)
( resid 18 and name HA
or resid 20 and name HA
) 3.7 1.9 0.7 volume=553981.355 peak=3 ppm1=6.789 ppm2=3.912
assign ( resid 21 and name HG1
or resid 21 and name HG2
)
( resid 22 and name HN
) 3.9 2.1 0.8 volume=392276.013 peak=4 ppm1=1.879 ppm2=7.291
assign ( resid 26 and name HN
)
( resid 26 and name HB2
or resid 26 and name HB1
) 3.2 1.4 0.6 volume=1326056.406 peak=5 ppm1=7.161 ppm2=3.129
assign ( resid 4 and name HB2
or resid 22 and name HB1
)
( resid 13 and name HE1
or resid 13 and name HE2
) 3.6 1.8 0.7 volume=636962.055 peak=6 ppm1=2.603 ppm2=6.641
assign ( resid 18 and name HB2
or resid 18 and name HB1
or resid 21 and name HA
)
( resid 22 and name HN
) 3.4 1.6 0.7 volume=998089.074 peak=7 ppm1=3.792 ppm2=7.293
assign ( resid 6 and name HB2
or resid 9 and name HB2
)
( resid 10 and name HN
) 4.0 2.2 0.8 volume=375023.812 peak=8 ppm1=3.211 ppm2=7.932
assign ( resid 26 and name HD2
)
( resid 26 and name HB2
or resid 26 and name HB1
) 2.9 1.1 0.6 volume=2503676.406 peak=9 ppm1=6.638 ppm2=3.131
assign ( resid 24 and name HG2
or resid 24 and name HG1
)
( resid 24 and name HN
) 3.8 2.0 0.8 volume=458489.194 peak=10 ppm1=1.497 ppm2=6.833
assign ( resid 16 and name HB#
)
( resid 4 and name HD1
or resid 4 and name HD2
or resid 19 and name HN
) 4.0 2.2 0.8 volume=372495.389 peak=11 ppm1=0.990 ppm2=6.795
assign ( resid 4 and name HD1
or resid 4 and name HD2
or resid 19 and name HN
)
( resid 16 and name HB#
) 3.5 1.7 0.7 volume=827962.324 peak=14 ppm1=6.792 ppm2=0.984
assign ( resid 10 and name HN
)
( resid 6 and name HB2
or resid 9 and name HB2
) 3.4 1.6 0.7 volume=955208.445 peak=15 ppm1=7.925 ppm2=3.216
assign ( resid 16 and name HA
)
( resid 4 and name HD1
or resid 4 and name HD2
or resid 19 and name HN
) 3.6 1.8 0.7 volume=709542.350 peak=16 ppm1=3.144 ppm2=6.802
assign ( resid 18 and name HB2
or resid 18 and name HB1
)
( resid 13 and name HB1
) 3.3 1.5 0.7 volume=1053870.219 peak=17 ppm1=3.787 ppm2=3.239
assign ( resid 22 and name HB1
)
( resid 13 and name HE1
or resid 13 and name HE2
or resid 26 and name HD2
) 3.8 2.0 0.8 volume=64288.453 peak=18 ppm1=2.589 ppm2=6.629
assign ( resid 24 and name HG2
or resid 24 and name HG1
)
( resid 24 and name HD2
or resid 24 and name HD1
) 3.9 2.1 0.8 volume=57818.648 peak=19 ppm1=1.502 ppm2=3.047
# Restraints file 3: Unambig_NOE.tbl
assign ( resid 15 and name HN
)
( resid 14 and name HN
) 3.4 1.6 0.7 volume=895349.406 peak=12 ppm1=8.891 ppm2=8.030
assign ( resid 14 and name HN
)
( resid 15 and name HN
) 3.3 1.5 0.7 volume=1150671.023 peak=13 ppm1=8.028 ppm2=8.892
assign ( resid 5 and name HB#
)
( resid 5 and name HA
) 3.3 1.5 0.7 volume=170448.450 peak=1 ppm1=1.075 ppm2=4.991
assign ( resid 5 and name HB#
)
( resid 12 and name HA
) 3.7 1.9 0.7 volume=86011.156 peak=2 ppm1=1.082 ppm2=4.739
assign ( resid 12 and name HD2
)
( resid 12 and name HA
) 3.4 1.6 0.7 volume=129851.988 peak=3 ppm1=1.338 ppm2=4.745
assign ( resid 12 and name HB2
)
( resid 12 and name HA
) 3.9 2.1 0.8 volume=61709.481 peak=4 ppm1=1.422 ppm2=4.742
assign ( resid 12 and name HD2
)
( resid 5 and name HA
) 4.1 2.3 0.8 volume=43579.130 peak=5 ppm1=1.337 ppm2=4.992
assign ( resid 3 and name HG
)
( resid 3 and name HA
) 3.4 1.6 0.7 volume=140822.538 peak=6 ppm1=1.603 ppm2=4.413
assign ( resid 19 and name HD1#
)
( resid 6 and name HA
) 3.7 1.9 0.7 volume=81035.576 peak=9 ppm1=0.855 ppm2=4.348
assign ( resid 4 and name HB1
)
( resid 4 and name HA
) 3.5 1.7 0.7 volume=105550.363 peak=24 ppm1=2.706 ppm2=4.324
assign ( resid 24 and name HB2
)
( resid 24 and name HD2
or resid 24 and name HD1
) 3.6 1.8 0.7 volume=95109.658 peak=34 ppm1=1.696 ppm2=3.047
assign ( resid 19 and name HB1
)
( resid 19 and name HA
) 3.2 1.4 0.6 volume=187326.324 peak=35 ppm1=1.627 ppm2=3.066
assign ( resid 19 and name HB2
)
( resid 19 and name HA
) 3.6 1.8 0.7 volume=92370.922 peak=37 ppm1=1.474 ppm2=3.055
assign ( resid 24 and name HB1
)
( resid 24 and name HD2
or resid 24 and name HD1
) 3.4 1.6 0.7 volume=132510.382 peak=38 ppm1=1.641 ppm2=3.049
assign ( resid 19 and name HD2#
)
( resid 19 and name HG
) 3.1 1.3 0.6 volume=251697.818 peak=59 ppm1=0.732 ppm2=1.103
assign ( resid 3 and name HG
)
( resid 3 and name HD1#
) 2.8 1.0 0.6 volume=434825.535 peak=61 ppm1=1.605 ppm2=0.779
assign ( resid 13 and name HD1
or resid 13 and name HD2
)
( resid 13 and name HA
) 3.4 1.6 0.7 volume=145915.880 peak=85 ppm1=7.006 ppm2=4.484
assign ( resid 13 and name HD1
or resid 13 and name HD2
)
( resid 12 and name HA
) 3.7 1.9 0.7 volume=81769.841 peak=86 ppm1=7.010 ppm2=4.740
assign ( resid 13 and name HD1
or resid 13 and name HD2
)
( resid 5 and name HA
) 3.9 2.1 0.8 volume=57685.723 peak=87 ppm1=7.007 ppm2=4.991
assign ( resid 26 and name HN
)
( resid 25 and name HN
) 3.3 1.5 0.7 volume=1173613.703 peak=107 ppm1=7.159 ppm2=7.684
assign ( resid 19 and name HD2#
)
( resid 19 and name HA
) 3.1 1.3 0.6 volume=1754727.180 peak=108 ppm1=0.733 ppm2=3.066
assign ( resid 25 and name HN
)
( resid 26 and name HN
) 3.2 1.4 0.6 volume=1323785.852 peak=109 ppm1=7.686 ppm2=7.163
assign ( resid 24 and name HN
)
( resid 23 and name HN
) 3.2 1.4 0.6 volume=1257133.301 peak=110 ppm1=6.829 ppm2=8.242
assign ( resid 25 and name HG2#
)
( resid 25 and name HN
) 3.7 1.9 0.7 volume=584895.707 peak=111 ppm1=0.763 ppm2=7.688
assign ( resid 24 and name HB2
)
( resid 24 and name HN
) 3.4 1.6 0.7 volume=892079.730 peak=112 ppm1=1.696 ppm2=6.832
assign ( resid 11 and name HA
)
( resid 11 and name HB2
) 3.3 1.5 0.7 volume=1101437.938 peak=113 ppm1=4.184 ppm2=2.057
assign ( resid 8 and name HA
)
( resid 8 and name HB1
) 3.2 1.4 0.6 volume=1328246.909 peak=114 ppm1=3.613 ppm2=3.388
assign ( resid 19 and name HG
)
( resid 13 and name HD1
or resid 13 and name HD2
) 3.7 1.9 0.7 volume=550131.645 peak=115 ppm1=1.102 ppm2=7.006
assign ( resid 17 and name HA
)
( resid 17 and name HB1
) 2.9 1.1 0.6 volume=2280481.938 peak=116 ppm1=4.241 ppm2=2.574
assign ( resid 23 and name HN
)
( resid 22 and name HN
) 3.3 1.5 0.7 volume=1239389.004 peak=117 ppm1=8.245 ppm2=7.291
assign ( resid 16 and name HN
)
( resid 17 and name HB1
) 3.6 1.8 0.7 volume=716936.953 peak=118 ppm1=8.026 ppm2=2.555
assign ( resid 4 and name HA
)
( resid 5 and name HN
) 3.1 1.3 0.6 volume=1601032.984 peak=119 ppm1=4.324 ppm2=8.473
assign ( resid 15 and name HB2
)
( resid 16 and name HN
) 3.9 2.1 0.8 volume=438613.008 peak=120 ppm1=2.883 ppm2=8.027
assign ( resid 24 and name HA
)
( resid 24 and name HB2
) 2.8 1.0 0.6 volume=2797498.594 peak=121 ppm1=3.927 ppm2=1.703
assign ( resid 14 and name HA
)
( resid 14 and name HB1
) 3.7 1.9 0.7 volume=572356.859 peak=122 ppm1=4.115 ppm2=2.011
assign ( resid 9 and name HA
)
( resid 9 and name HB1
) 3.2 1.4 0.6 volume=1408708.852 peak=123 ppm1=4.930 ppm2=2.702
assign ( resid 21 and name HN
)
( resid 22 and name HN
) 3.1 1.3 0.6 volume=1533723.383 peak=124 ppm1=7.632 ppm2=7.289
assign ( resid 13 and name HB1
)
( resid 13 and name HD1
or resid 13 and name HD2
) 3.1 1.3 0.6 volume=1518942.305 peak=125 ppm1=3.249 ppm2=7.004
assign ( resid 20 and name HA
)
( resid 23 and name HG2#
) 3.0 1.2 0.6 volume=2100788.715 peak=126 ppm1=3.914 ppm2=1.061
assign ( resid 20 and name HB#
)
( resid 17 and name HA
) 3.1 1.3 0.6 volume=1816606.023 peak=127 ppm1=1.293 ppm2=4.237
assign ( resid 23 and name HG1#
)
( resid 20 and name HA
) 3.8 2.0 0.8 volume=503604.379 peak=128 ppm1=1.169 ppm2=3.908
assign ( resid 17 and name HA
)
( resid 20 and name HB#
) 2.9 1.1 0.6 volume=2249308.750 peak=129 ppm1=4.242 ppm2=1.297
assign ( resid 23 and name HG2#
)
( resid 20 and name HA
) 3.0 1.2 0.6 volume=2002505.938 peak=130 ppm1=1.059 ppm2=3.911
assign ( resid 23 and name HN
)
( resid 23 and name HG2#
) 2.9 1.1 0.6 volume=2395408.270 peak=131 ppm1=8.246 ppm2=1.061
assign ( resid 20 and name HA
)
( resid 23 and name HG1#
) 3.5 1.7 0.7 volume=813410.031 peak=132 ppm1=3.912 ppm2=1.170
assign ( resid 11 and name HN
)
( resid 10 and name HA1
) 3.9 2.1 0.8 volume=416859.352 peak=133 ppm1=8.198 ppm2=3.771
assign ( resid 26 and name HD2
)
( resid 23 and name HA
) 2.8 1.0 0.6 volume=3241817.594 peak=135 ppm1=6.637 ppm2=3.463
assign ( resid 28 and name HA
)
( resid 28 and name HB#
) 3.0 1.2 0.6 volume=1945459.320 peak=136 ppm1=4.153 ppm2=1.269
assign ( resid 18 and name HA
)
( resid 21 and name HG2
) 3.2 1.4 0.6 volume=1432949.352 peak=137 ppm1=3.916 ppm2=1.856
assign ( resid 21 and name HG1
)
( resid 18 and name HA
) 3.7 1.9 0.7 volume=552902.121 peak=138 ppm1=1.898 ppm2=3.916
assign ( resid 22 and name HN
)
( resid 21 and name HA
) 3.4 1.6 0.7 volume=990216.965 peak=139 ppm1=7.294 ppm2=3.787
assign ( resid 6 and name HB1
)
( resid 13 and name HE1
or resid 13 and name HE2
) 3.4 1.6 0.7 volume=941571.184 peak=140 ppm1=2.640 ppm2=6.637
assign ( resid 22 and name HD2
)
( resid 6 and name HB1
) 2.6 0.8 0.5 volume=5055429.906 peak=141 ppm1=6.793 ppm2=2.627
assign ( resid 22 and name HD2
)
( resid 22 and name HB2
) 3.3 1.5 0.7 volume=1219054.039 peak=142 ppm1=6.793 ppm2=2.919
assign ( resid 24 and name HN
)
( resid 24 and name HD2
or resid 24 and name HD1
) 3.8 2.0 0.8 volume=465350.844 peak=143 ppm1=6.828 ppm2=3.050
assign ( resid 19 and name HN
)
( resid 19 and name HA
) 3.2 1.4 0.6 volume=1321440.141 peak=144 ppm1=6.791 ppm2=3.069
assign ( resid 22 and name HD2
)
( resid 25 and name HG12
) 3.9 2.1 0.8 volume=414496.039 peak=145 ppm1=6.795 ppm2=0.630
assign ( resid 18 and name HA
)
( resid 21 and name HG1
) 2.8 1.0 0.6 volume=2883797.969 peak=146 ppm1=3.916 ppm2=1.896
assign ( resid 22 and name HN
)
( resid 22 and name HA
) 3.4 1.6 0.7 volume=905066.863 peak=147 ppm1=7.290 ppm2=4.032
assign ( resid 12 and name HN
)
( resid 11 and name HB1
) 3.4 1.6 0.7 volume=961085.230 peak=148 ppm1=7.591 ppm2=1.897
assign ( resid 13 and name HB2
)
( resid 13 and name HN
) 3.7 1.9 0.7 volume=591403.055 peak=149 ppm1=2.534 ppm2=8.531
assign ( resid 24 and name HN
)
( resid 24 and name HA
) 3.2 1.4 0.6 volume=1420613.709 peak=150 ppm1=6.829 ppm2=3.929
assign ( resid 4 and name HB1
)
( resid 4 and name HD1
or resid 4 and name HD2
) 3.2 1.4 0.6 volume=1498041.051 peak=151 ppm1=2.696 ppm2=6.794
assign ( resid 26 and name HN
)
( resid 23 and name HA
) 4.0 2.2 0.8 volume=355002.986 peak=152 ppm1=7.164 ppm2=3.461
assign ( resid 25 and name HD1#
)
( resid 25 and name HN
) 3.9 2.1 0.8 volume=448578.148 peak=153 ppm1=0.533 ppm2=7.685
assign ( resid 16 and name HA
)
( resid 19 and name HB1
) 3.3 1.5 0.7 volume=1110290.375 peak=154 ppm1=3.145 ppm2=1.628
assign ( resid 16 and name HN
)
( resid 15 and name HB2
) 3.6 1.8 0.7 volume=702423.273 peak=155 ppm1=8.026 ppm2=2.880
assign ( resid 18 and name HN
)
( resid 18 and name HB2
or resid 18 and name HB1
) 3.2 1.4 0.6 volume=1477374.555 peak=156 ppm1=8.601 ppm2=3.790
assign ( resid 23 and name HN
)
( resid 24 and name HN
) 3.1 1.3 0.6 volume=1555042.059 peak=157 ppm1=8.246 ppm2=6.823
assign ( resid 22 and name HN
)
( resid 22 and name HB1
) 3.0 1.2 0.6 volume=2072538.305 peak=158 ppm1=7.290 ppm2=2.595
assign ( resid 5 and name HB#
)
( resid 5 and name HN
) 3.6 1.8 0.7 volume=638479.004 peak=159 ppm1=1.067 ppm2=8.476
assign ( resid 22 and name HD2
)
( resid 23 and name HG2#
) 2.9 1.1 0.6 volume=2524943.438 peak=160 ppm1=6.793 ppm2=1.079
assign ( resid 6 and name HN
)
( resid 5 and name HA
) 3.1 1.3 0.6 volume=1540003.008 peak=161 ppm1=8.817 ppm2=4.985
assign ( resid 20 and name HA
)
( resid 20 and name HN
) 3.1 1.3 0.6 volume=1729341.453 peak=163 ppm1=3.911 ppm2=7.736
assign ( resid 11 and name HN
)
( resid 10 and name HN
) 3.6 1.8 0.7 volume=702430.465 peak=164 ppm1=8.198 ppm2=7.922
assign ( resid 11 and name HB1
)
( resid 13 and name HE1
or resid 13 and name HE2
) 4.1 2.3 0.8 volume=327461.022 peak=165 ppm1=1.895 ppm2=6.643
assign ( resid 18 and name HB2
or resid 18 and name HB1
)
( resid 13 and name HD1
or resid 13 and name HD2
) 3.4 1.6 0.7 volume=1008199.852 peak=166 ppm1=3.786 ppm2=7.005
assign ( resid 26 and name HE1
)
( resid 25 and name HG11
) 4.0 2.2 0.8 volume=379994.707 peak=167 ppm1=7.868 ppm2=0.432
assign ( resid 24 and name HN
)
( resid 23 and name HG1#
) 3.8 2.0 0.8 volume=465252.662 peak=168 ppm1=6.827 ppm2=1.165
assign ( resid 6 and name HA
)
( resid 22 and name HD2
) 3.5 1.7 0.7 volume=785612.078 peak=169 ppm1=4.320 ppm2=6.799
assign ( resid 19 and name HG
)
( resid 20 and name HN
) 3.8 2.0 0.8 volume=510829.727 peak=170 ppm1=1.107 ppm2=7.736
assign ( resid 6 and name HB2
)
( resid 19 and name HD2#
) 4.0 2.2 0.8 volume=382022.938 peak=171 ppm1=3.194 ppm2=0.739
assign ( resid 22 and name HB2
)
( resid 13 and name HE1
or resid 13 and name HE2
) 4.0 2.2 0.8 volume=346741.147 peak=172 ppm1=2.893 ppm2=6.643
assign ( resid 15 and name HN
)
( resid 15 and name HA
) 3.9 2.1 0.8 volume=409859.869 peak=173 ppm1=8.896 ppm2=4.261
assign ( resid 25 and name HA
)
( resid 25 and name HG11
) 2.9 1.1 0.6 volume=2420684.734 peak=174 ppm1=3.793 ppm2=0.443
assign ( resid 26 and name HD2
)
( resid 23 and name HG2#
) 3.4 1.6 0.7 volume=918107.625 peak=175 ppm1=6.637 ppm2=1.062
assign ( resid 6 and name HN
)
( resid 6 and name HA
) 3.9 2.1 0.8 volume=390959.889 peak=176 ppm1=8.817 ppm2=4.334
assign ( resid 25 and name HG11
)
( resid 25 and name HN
) 3.2 1.4 0.6 volume=1386816.414 peak=177 ppm1=0.440 ppm2=7.686
assign ( resid 11 and name HN
)
( resid 6 and name HB2
) 3.4 1.6 0.7 volume=944144.742 peak=178 ppm1=8.194 ppm2=3.196
assign ( resid 22 and name HB1
)
( resid 13 and name HZ
) 4.0 2.2 0.8 volume=367496.876 peak=179 ppm1=2.596 ppm2=6.226
assign ( resid 4 and name HB2
)
( resid 4 and name HN
) 3.6 1.8 0.7 volume=699992.938 peak=180 ppm1=2.603 ppm2=8.597
assign ( resid 18 and name HB2
or resid 18 and name HB1
)
( resid 18 and name HN
) 3.4 1.6 0.7 volume=930302.883 peak=181 ppm1=3.787 ppm2=8.601
assign ( resid 15 and name HN
)
( resid 15 and name HB1
) 3.9 2.1 0.8 volume=443152.112 peak=182 ppm1=8.897 ppm2=3.008
assign ( resid 20 and name HN
)
( resid 19 and name HA
) 3.9 2.1 0.8 volume=439705.400 peak=183 ppm1=7.734 ppm2=3.066
assign ( resid 26 and name HB1
)
( resid 26 and name HD2
) 3.5 1.7 0.7 volume=765786.949 peak=184 ppm1=3.113 ppm2=6.638
assign ( resid 13 and name HE1
or resid 13 and name HE2
)
( resid 18 and name HB2
or resid 18 and name HB1
) 3.9 2.1 0.8 volume=398041.906 peak=185 ppm1=6.636 ppm2=3.779
assign ( resid 22 and name HD2
)
( resid 23 and name HA
) 3.2 1.4 0.6 volume=1342540.957 peak=186 ppm1=6.793 ppm2=3.461
assign ( resid 23 and name HN
)
( resid 22 and name HB1
) 3.7 1.9 0.7 volume=612144.148 peak=187 ppm1=8.245 ppm2=2.596
assign ( resid 21 and name HG2
)
( resid 18 and name HA
) 3.8 2.0 0.8 volume=496149.490 peak=188 ppm1=1.855 ppm2=3.916
assign ( resid 11 and name HB1
)
( resid 13 and name HZ
) 4.1 2.3 0.8 volume=307073.457 peak=189 ppm1=1.895 ppm2=6.222
assign ( resid 13 and name HB2
)
( resid 13 and name HD1
or resid 13 and name HD2
) 3.2 1.4 0.6 volume=1345311.305 peak=190 ppm1=2.531 ppm2=7.003
assign ( resid 10 and name HN
)
( resid 11 and name HN
) 3.5 1.7 0.7 volume=749309.309 peak=191 ppm1=7.924 ppm2=8.202
assign ( resid 25 and name HA
)
( resid 25 and name HG2#
) 3.6 1.8 0.7 volume=731302.266 peak=192 ppm1=3.793 ppm2=0.765
assign ( resid 25 and name HG12
)
( resid 25 and name HN
) 3.8 2.0 0.8 volume=466497.082 peak=193 ppm1=0.615 ppm2=7.684
assign ( resid 22 and name HN
)
( resid 19 and name HA
) 3.6 1.8 0.7 volume=706274.824 peak=194 ppm1=7.290 ppm2=3.064
assign ( resid 23 and name HA
)
( resid 23 and name HG1#
) 3.0 1.2 0.6 volume=2044875.047 peak=195 ppm1=3.465 ppm2=1.168
assign ( resid 11 and name HN
)
( resid 11 and name HB1
) 3.6 1.8 0.7 volume=704936.105 peak=196 ppm1=8.194 ppm2=1.904
assign ( resid 13 and name HD1
or resid 13 and name HD2
)
( resid 13 and name HE1
or resid 13 and name HE2
) 2.5 0.7 0.5 volume=5353141.156 peak=197 ppm1=7.003 ppm2=6.639
assign ( resid 22 and name HN
)
( resid 21 and name HN
) 3.2 1.4 0.6 volume=1443582.340 peak=198 ppm1=7.289 ppm2=7.631
assign ( resid 4 and name HB2
)
( resid 13 and name HD1
or resid 13 and name HD2
) 4.0 2.2 0.8 volume=382392.135 peak=199 ppm1=2.590 ppm2=7.003
assign ( resid 19 and name HA
)
( resid 19 and name HG
) 3.2 1.4 0.6 volume=1289261.016 peak=200 ppm1=3.064 ppm2=1.103
assign ( resid 23 and name HA
)
( resid 26 and name HD2
) 3.0 1.2 0.6 volume=1918783.453 peak=201 ppm1=3.464 ppm2=6.639
assign ( resid 24 and name HN
)
( resid 23 and name HA
) 3.9 2.1 0.8 volume=399984.235 peak=202 ppm1=6.829 ppm2=3.470
assign ( resid 9 and name HB2
)
( resid 9 and name HB1
) 2.5 0.7 0.5 volume=5341854.344 peak=203 ppm1=3.235 ppm2=2.700
assign ( resid 19 and name HN
)
( resid 18 and name HN
) 3.3 1.5 0.7 volume=1169563.312 peak=204 ppm1=6.790 ppm2=8.591
assign ( resid 21 and name HN
)
( resid 20 and name HB#
) 3.1 1.3 0.6 volume=1797403.477 peak=205 ppm1=7.632 ppm2=1.298
assign ( resid 5 and name HA
)
( resid 5 and name HB#
) 3.3 1.5 0.7 volume=1145236.109 peak=206 ppm1=4.988 ppm2=1.087
assign ( resid 4 and name HN
)
( resid 4 and name HB2
) 3.2 1.4 0.6 volume=1483437.781 peak=207 ppm1=8.601 ppm2=2.584
assign ( resid 15 and name HA
)
( resid 15 and name HB1
) 3.2 1.4 0.6 volume=1387244.281 peak=208 ppm1=4.262 ppm2=2.997
assign ( resid 18 and name HN
)
( resid 18 and name HA
) 3.3 1.5 0.7 volume=1141813.781 peak=209 ppm1=8.602 ppm2=3.913
assign ( resid 22 and name HD2
)
( resid 23 and name HN
) 3.6 1.8 0.7 volume=697138.953 peak=210 ppm1=6.794 ppm2=8.245
assign ( resid 12 and name HE1
or resid 12 and name HE2
)
( resid 12 and name HD2
) 3.2 1.4 0.6 volume=1305744.188 peak=211 ppm1=2.772 ppm2=1.335
assign ( resid 25 and name HD1#
)
( resid 26 and name HE1
) 3.4 1.6 0.7 volume=874104.871 peak=212 ppm1=0.533 ppm2=7.889
assign ( resid 24 and name HN
)
( resid 23 and name HG2#
) 3.4 1.6 0.7 volume=937142.105 peak=213 ppm1=6.826 ppm2=1.069
assign ( resid 20 and name HN
)
( resid 19 and name HB2
) 3.8 2.0 0.8 volume=480836.371 peak=214 ppm1=7.732 ppm2=1.436
assign ( resid 22 and name HA
)
( resid 22 and name HB1
) 3.0 1.2 0.6 volume=1905026.516 peak=215 ppm1=4.030 ppm2=2.599
assign ( resid 26 and name HE1
)
( resid 9 and name HB2
) 3.3 1.5 0.7 volume=1183701.906 peak=216 ppm1=7.867 ppm2=3.233
assign ( resid 22 and name HE1
)
( resid 11 and name HB2
) 3.7 1.9 0.7 volume=555275.791 peak=217 ppm1=7.898 ppm2=2.063
assign ( resid 13 and name HD1
or resid 13 and name HD2
)
( resid 19 and name HA
) 3.5 1.7 0.7 volume=768000.695 peak=218 ppm1=7.003 ppm2=3.067
assign ( resid 19 and name HA
)
( resid 19 and name HD2#
) 3.2 1.4 0.6 volume=1442338.613 peak=219 ppm1=3.068 ppm2=0.734
assign ( resid 22 and name HE1
)
( resid 25 and name HG11
) 3.8 2.0 0.8 volume=522212.990 peak=220 ppm1=7.898 ppm2=0.433
assign ( resid 4 and name HE1
or resid 4 and name HE2
)
( resid 4 and name HD1
or resid 4 and name HD2
) 2.5 0.7 0.5 volume=6324695.438 peak=221 ppm1=6.618 ppm2=6.803
assign ( resid 19 and name HN
)
( resid 18 and name HB2
or resid 18 and name HB1
) 3.4 1.6 0.7 volume=892831.883 peak=222 ppm1=6.789 ppm2=3.786
assign ( resid 25 and name HN
)
( resid 24 and name HA
) 3.8 2.0 0.8 volume=517168.967 peak=223 ppm1=7.685 ppm2=3.928
assign ( resid 24 and name HA
)
( resid 24 and name HB1
) 3.0 1.2 0.6 volume=2126865.219 peak=224 ppm1=3.927 ppm2=1.632
assign ( resid 20 and name HA
)
( resid 20 and name HB#
) 2.7 0.9 0.5 volume=3902088.484 peak=225 ppm1=3.911 ppm2=1.298
assign ( resid 24 and name HN
)
( resid 21 and name HA
) 3.8 2.0 0.8 volume=474226.833 peak=226 ppm1=6.827 ppm2=3.794
assign ( resid 16 and name HA
)
( resid 16 and name HB#
) 2.8 1.0 0.6 volume=2815632.234 peak=227 ppm1=3.145 ppm2=0.990
assign ( resid 23 and name HB
)
( resid 24 and name HN
) 3.9 2.1 0.8 volume=409070.795 peak=228 ppm1=2.225 ppm2=6.810
assign ( resid 13 and name HZ
)
( resid 22 and name HB1
) 3.8 2.0 0.8 volume=525909.088 peak=229 ppm1=6.223 ppm2=2.598
assign ( resid 12 and name HE1
or resid 12 and name HE2
)
( resid 12 and name HB2
) 3.4 1.6 0.7 volume=875782.191 peak=230 ppm1=2.768 ppm2=1.428
assign ( resid 12 and name HE1
or resid 12 and name HE2
)
( resid 12 and name HG2
or resid 12 and name HG1
) 3.5 1.7 0.7 volume=736488.281 peak=231 ppm1=2.772 ppm2=1.100
assign ( resid 23 and name HB
)
( resid 23 and name HG2#
) 3.0 1.2 0.6 volume=2016741.926 peak=232 ppm1=2.225 ppm2=1.062
assign ( resid 19 and name HB1
)
( resid 19 and name HG
) 2.7 0.9 0.5 volume=4185471.031 peak=233 ppm1=1.626 ppm2=1.104
assign ( resid 23 and name HN
)
( resid 23 and name HG1#
) 3.1 1.3 0.6 volume=1763139.531 peak=234 ppm1=8.245 ppm2=1.168
assign ( resid 23 and name HA
)
( resid 23 and name HG2#
) 3.2 1.4 0.6 volume=1332933.912 peak=235 ppm1=3.465 ppm2=1.060
assign ( resid 24 and name HN
)
( resid 23 and name HB
) 4.0 2.2 0.8 volume=371900.176 peak=236 ppm1=6.829 ppm2=2.222
assign ( resid 13 and name HD1
or resid 13 and name HD2
)
( resid 13 and name HB1
) 3.0 1.2 0.6 volume=2073841.977 peak=237 ppm1=7.003 ppm2=3.250
assign ( resid 23 and name HN
)
( resid 20 and name HA
) 3.8 2.0 0.8 volume=523699.539 peak=238 ppm1=8.246 ppm2=3.912
assign ( resid 22 and name HN
)
( resid 22 and name HB2
) 3.0 1.2 0.6 volume=2178498.484 peak=239 ppm1=7.290 ppm2=2.913
assign ( resid 20 and name HN
)
( resid 20 and name HB#
) 2.7 0.9 0.5 volume=3924952.031 peak=240 ppm1=7.733 ppm2=1.297
assign ( resid 17 and name HB1
)
( resid 17 and name HA
) 3.4 1.6 0.7 volume=1029275.969 peak=241 ppm1=2.575 ppm2=4.238
assign ( resid 15 and name HA
)
( resid 15 and name HB2
) 3.6 1.8 0.7 volume=679468.383 peak=242 ppm1=4.261 ppm2=2.879
assign ( resid 11 and name HA
)
( resid 12 and name HN
) 2.7 0.9 0.5 volume=3953218.891 peak=243 ppm1=4.184 ppm2=7.593
assign ( resid 12 and name HD2
)
( resid 12 and name HE1
or resid 12 and name HE2
) 3.5 1.7 0.7 volume=849153.488 peak=244 ppm1=1.330 ppm2=2.770
assign ( resid 2 and name HB
)
( resid 2 and name HG2#
) 3.0 1.2 0.6 volume=1842685.484 peak=245 ppm1=1.502 ppm2=0.391
assign ( resid 20 and name HN
)
( resid 19 and name HB1
) 3.2 1.4 0.6 volume=1402448.344 peak=246 ppm1=7.732 ppm2=1.624
assign ( resid 21 and name HN
)
( resid 21 and name HB2
or resid 21 and name HB1
) 3.3 1.5 0.7 volume=1111439.359 peak=247 ppm1=7.632 ppm2=2.249
assign ( resid 13 and name HD1
or resid 13 and name HD2
)
( resid 19 and name HG
) 3.5 1.7 0.7 volume=797576.418 peak=248 ppm1=7.003 ppm2=1.104
assign ( resid 4 and name HB2
)
( resid 19 and name HD2#
) 3.9 2.1 0.8 volume=434779.926 peak=249 ppm1=2.596 ppm2=0.732
assign ( resid 15 and name HB2
)
( resid 15 and name HA
) 3.7 1.9 0.7 volume=578504.926 peak=250 ppm1=2.881 ppm2=4.260
assign ( resid 4 and name HB1
)
( resid 19 and name HD1#
) 3.2 1.4 0.6 volume=1423779.965 peak=251 ppm1=2.703 ppm2=0.859
assign ( resid 4 and name HD1
or resid 4 and name HD2
)
( resid 4 and name HE1
or resid 4 and name HE2
) 2.4 0.6 0.5 volume=8055860.750 peak=252 ppm1=6.791 ppm2=6.616
assign ( resid 21 and name HA
)
( resid 21 and name HB2
or resid 21 and name HB1
) 3.3 1.5 0.7 volume=1145578.492 peak=253 ppm1=3.789 ppm2=2.246
assign ( resid 19 and name HD2#
)
( resid 6 and name HB1
) 3.3 1.5 0.7 volume=1070385.188 peak=254 ppm1=0.732 ppm2=2.640
assign ( resid 22 and name HB2
)
( resid 19 and name HD2#
) 3.9 2.1 0.8 volume=416368.421 peak=255 ppm1=2.917 ppm2=0.732
assign ( resid 19 and name HD1#
)
( resid 4 and name HB1
) 3.0 1.2 0.6 volume=1915158.625 peak=256 ppm1=0.858 ppm2=2.702
assign ( resid 4 and name HB2
)
( resid 19 and name HD1#
) 3.7 1.9 0.7 volume=613005.893 peak=257 ppm1=2.600 ppm2=0.860
assign ( resid 25 and name HN
)
( resid 25 and name HG12
) 3.5 1.7 0.7 volume=781611.883 peak=258 ppm1=7.684 ppm2=0.607
assign ( resid 19 and name HD2#
)
( resid 22 and name HB2
) 3.6 1.8 0.7 volume=649953.152 peak=259 ppm1=0.731 ppm2=2.927
assign ( resid 11 and name HN
)
( resid 6 and name HB1
) 3.9 2.1 0.8 volume=431688.316 peak=260 ppm1=8.196 ppm2=2.642
assign ( resid 6 and name HB1
)
( resid 19 and name HD2#
) 3.4 1.6 0.7 volume=961896.803 peak=261 ppm1=2.642 ppm2=0.731
assign ( resid 19 and name HD1#
)
( resid 4 and name HB2
) 3.4 1.6 0.7 volume=904276.398 peak=262 ppm1=0.857 ppm2=2.601
assign ( resid 22 and name HD2
)
( resid 23 and name HG1#
) 2.9 1.1 0.6 volume=2433251.656 peak=263 ppm1=6.793 ppm2=1.161
assign ( resid 21 and name HE22
)
( resid 21 and name HE21
) 3.2 1.4 0.6 volume=1481269.543 peak=264 ppm1=7.606 ppm2=6.783
assign ( resid 13 and name HE1
or resid 13 and name HE2
)
( resid 13 and name HD1
or resid 13 and name HD2
) 2.6 0.8 0.5 volume=4948670.812 peak=265 ppm1=6.638 ppm2=7.001
assign ( resid 22 and name HB1
)
( resid 22 and name HB2
) 2.6 0.8 0.5 volume=4583685.766 peak=267 ppm1=2.599 ppm2=2.915
assign ( resid 7 and name HN
)
( resid 7 and name HB1
or resid 7 and name HB2
) 3.8 2.0 0.8 volume=521470.012 peak=268 ppm1=9.027 ppm2=2.603
assign ( resid 23 and name HG1#
)
( resid 23 and name HB
) 2.8 1.0 0.6 volume=2987013.641 peak=269 ppm1=1.166 ppm2=2.223
assign ( resid 16 and name HB#
)
( resid 16 and name HA
) 2.9 1.1 0.6 volume=2605523.523 peak=270 ppm1=0.992 ppm2=3.150
assign ( resid 11 and name HB2
)
( resid 12 and name HN
) 4.1 2.3 0.8 volume=320593.410 peak=271 ppm1=2.052 ppm2=7.586
assign ( resid 25 and name HB
)
( resid 25 and name HG11
) 3.0 1.2 0.6 volume=2165562.047 peak=272 ppm1=1.561 ppm2=0.443
assign ( resid 19 and name HB1
)
( resid 16 and name HA
) 3.5 1.7 0.7 volume=819175.469 peak=273 ppm1=1.624 ppm2=3.157
assign ( resid 12 and name HN
)
( resid 11 and name HA
) 2.8 1.0 0.6 volume=2832468.914 peak=274 ppm1=7.594 ppm2=4.182
assign ( resid 19 and name HG
)
( resid 19 and name HA
) 3.3 1.5 0.7 volume=1066558.383 peak=275 ppm1=1.102 ppm2=3.067
assign ( resid 6 and name HN
)
( resid 6 and name HB1
) 3.3 1.5 0.7 volume=1198786.883 peak=276 ppm1=8.816 ppm2=2.642
assign ( resid 10 and name HA1
)
( resid 9 and name HN
) 3.8 2.0 0.8 volume=479609.051 peak=277 ppm1=3.789 ppm2=8.022
assign ( resid 11 and name HN
)
( resid 11 and name HB2
) 3.1 1.3 0.6 volume=1639882.969 peak=278 ppm1=8.194 ppm2=2.060
assign ( resid 4 and name HN
)
( resid 4 and name HD1
or resid 4 and name HD2
) 3.8 2.0 0.8 volume=477445.092 peak=279 ppm1=8.575 ppm2=6.797
assign ( resid 10 and name HA1
)
( resid 10 and name HN
) 3.6 1.8 0.7 volume=690691.613 peak=280 ppm1=3.775 ppm2=7.926
assign ( resid 11 and name HB2
)
( resid 13 and name HZ
) 4.4 2.6 0.9 volume=202941.725 peak=281 ppm1=2.056 ppm2=6.220
assign ( resid 23 and name HG2#
)
( resid 22 and name HD2
) 3.2 1.4 0.6 volume=1469426.289 peak=282 ppm1=1.059 ppm2=6.807
assign ( resid 25 and name HA
)
( resid 25 and name HB
) 2.8 1.0 0.6 volume=3132171.828 peak=283 ppm1=3.793 ppm2=1.562
assign ( resid 23 and name HG1#
)
( resid 26 and name HD2
) 3.9 2.1 0.8 volume=419577.452 peak=284 ppm1=1.167 ppm2=6.640
assign ( resid 22 and name HA
)
( resid 22 and name HB2
) 3.2 1.4 0.6 volume=1279692.617 peak=285 ppm1=4.032 ppm2=2.924
assign ( resid 23 and name HA
)
( resid 22 and name HD2
) 3.3 1.5 0.7 volume=1193317.336 peak=286 ppm1=3.465 ppm2=6.801
assign ( resid 6 and name HB1
)
( resid 22 and name HD2
) 3.1 1.3 0.6 volume=1793585.098 peak=287 ppm1=2.642 ppm2=6.794
assign ( resid 16 and name HB#
)
( resid 4 and name HE1
or resid 4 and name HE2
) 3.7 1.9 0.7 volume=597697.426 peak=288 ppm1=0.991 ppm2=6.613
assign ( resid 22 and name HB1
)
( resid 22 and name HN
) 3.2 1.4 0.6 volume=1303467.133 peak=290 ppm1=2.595 ppm2=7.292
assign ( resid 17 and name HB2
)
( resid 17 and name HA
) 3.4 1.6 0.7 volume=967682.766 peak=291 ppm1=2.628 ppm2=4.242
assign ( resid 4 and name HB2
)
( resid 4 and name HD1
or resid 4 and name HD2
) 3.1 1.3 0.6 volume=1553500.688 peak=292 ppm1=2.600 ppm2=6.795
assign ( resid 12 and name HN
)
( resid 12 and name HD2
) 3.0 1.2 0.6 volume=2181415.672 peak=293 ppm1=7.595 ppm2=1.337
assign ( resid 11 and name HB2
)
( resid 13 and name HE1
or resid 13 and name HE2
) 4.0 2.2 0.8 volume=348157.254 peak=294 ppm1=2.051 ppm2=6.644
assign ( resid 23 and name HG1#
)
( resid 22 and name HD2
) 3.3 1.5 0.7 volume=1127392.344 peak=295 ppm1=1.166 ppm2=6.798
assign ( resid 4 and name HE1
or resid 4 and name HE2
)
( resid 16 and name HB#
) 3.3 1.5 0.7 volume=1204796.855 peak=296 ppm1=6.614 ppm2=0.992
assign ( resid 16 and name HB#
)
( resid 16 and name HN
) 3.2 1.4 0.6 volume=1274083.090 peak=297 ppm1=0.990 ppm2=8.024
assign ( resid 24 and name HA
)
( resid 24 and name HG2
or resid 24 and name HG1
) 3.2 1.4 0.6 volume=1466844.852 peak=298 ppm1=3.926 ppm2=1.494
assign ( resid 13 and name HE1
or resid 13 and name HE2
)
( resid 11 and name HB1
) 3.3 1.5 0.7 volume=1092408.680 peak=299 ppm1=6.637 ppm2=1.902
assign ( resid 27 and name HB
)
( resid 27 and name HG2#
) 2.9 1.1 0.6 volume=2430003.891 peak=300 ppm1=4.116 ppm2=1.075
assign ( resid 11 and name HA
)
( resid 11 and name HN
) 3.4 1.6 0.7 volume=908659.711 peak=302 ppm1=4.182 ppm2=8.183
assign ( resid 23 and name HG2#
)
( resid 26 and name HD2
) 3.9 2.1 0.8 volume=434169.904 peak=303 ppm1=1.061 ppm2=6.637
assign ( resid 2 and name HG2#
)
( resid 2 and name HB
) 3.2 1.4 0.6 volume=1500196.781 peak=304 ppm1=0.388 ppm2=1.499
assign ( resid 9 and name HN
)
( resid 9 and name HB2
) 3.6 1.8 0.7 volume=726188.609 peak=305 ppm1=8.032 ppm2=3.209
assign ( resid 20 and name HA
)
( resid 23 and name HB
) 3.3 1.5 0.7 volume=1088364.852 peak=307 ppm1=3.913 ppm2=2.235
assign ( resid 25 and name HG11
)
( resid 25 and name HB
) 2.8 1.0 0.6 volume=2835765.172 peak=308 ppm1=0.442 ppm2=1.562
assign ( resid 27 and name HN
)
( resid 26 and name HN
) 3.7 1.9 0.7 volume=551899.207 peak=309 ppm1=7.625 ppm2=7.158
assign ( resid 23 and name HB
)
( resid 23 and name HG1#
) 2.9 1.1 0.6 volume=2605649.922 peak=310 ppm1=2.225 ppm2=1.169
assign ( resid 22 and name HA
)
( resid 22 and name HN
) 3.3 1.5 0.7 volume=1086286.852 peak=311 ppm1=4.032 ppm2=7.291
assign ( resid 25 and name HA
)
( resid 24 and name HB2
) 3.6 1.8 0.7 volume=657683.578 peak=312 ppm1=3.792 ppm2=1.709
assign ( resid 13 and name HZ
)
( resid 11 and name HB1
) 3.6 1.8 0.7 volume=644169.973 peak=313 ppm1=6.226 ppm2=1.896
assign ( resid 5 and name HA
)
( resid 6 and name HN
) 3.2 1.4 0.6 volume=1483109.852 peak=314 ppm1=4.989 ppm2=8.818
assign ( resid 12 and name HD2
or resid 12 and name HD1
)
( resid 12 and name HN
) 3.3 1.5 0.7 volume=1107111.242 peak=315 ppm1=1.341 ppm2=7.592
assign ( resid 23 and name HG1#
)
( resid 23 and name HA
) 3.2 1.4 0.6 volume=1315321.129 peak=316 ppm1=1.165 ppm2=3.462
assign ( resid 6 and name HB2
)
( resid 22 and name HD2
) 3.8 2.0 0.8 volume=462727.677 peak=317 ppm1=3.191 ppm2=6.801
assign ( resid 19 and name HD2#
)
( resid 19 and name HB2
) 2.8 1.0 0.6 volume=2790690.453 peak=318 ppm1=0.732 ppm2=1.441
assign ( resid 23 and name HA
)
( resid 23 and name HN
) 3.3 1.5 0.7 volume=1091713.938 peak=319 ppm1=3.465 ppm2=8.244
assign ( resid 24 and name HN
)
( resid 24 and name HG2
or resid 24 and name HG1
) 3.4 1.6 0.7 volume=1016354.234 peak=320 ppm1=6.830 ppm2=1.495
assign ( resid 6 and name HB1
)
( resid 6 and name HN
) 3.3 1.5 0.7 volume=1180127.074 peak=321 ppm1=2.647 ppm2=8.818
assign ( resid 9 and name HB1
)
( resid 9 and name HA
) 3.6 1.8 0.7 volume=650506.728 peak=322 ppm1=2.699 ppm2=4.937
assign ( resid 27 and name HG2#
)
( resid 27 and name HB
) 2.8 1.0 0.6 volume=2857590.227 peak=323 ppm1=1.082 ppm2=4.131
assign ( resid 5 and name HA
)
( resid 12 and name HD2
) 4.2 2.4 0.8 volume=267713.621 peak=324 ppm1=4.983 ppm2=1.339
assign ( resid 17 and name HN
)
( resid 17 and name HB2
) 3.6 1.8 0.7 volume=727783.527 peak=325 ppm1=8.351 ppm2=2.628
assign ( resid 9 and name HA
)
( resid 9 and name HB2
) 3.0 1.2 0.6 volume=1990077.742 peak=326 ppm1=4.931 ppm2=3.237
assign ( resid 20 and name HN
)
( resid 19 and name HG
) 3.6 1.8 0.7 volume=645550.742 peak=327 ppm1=7.733 ppm2=1.103
assign ( resid 13 and name HD1
or resid 13 and name HD2
)
( resid 19 and name HD2#
) 3.0 1.2 0.6 volume=1912162.215 peak=328 ppm1=7.004 ppm2=0.733
assign ( resid 25 and name HB
)
( resid 25 and name HN
) 3.3 1.5 0.7 volume=1086981.820 peak=329 ppm1=1.559 ppm2=7.686
assign ( resid 14 and name HN
)
( resid 14 and name HA
) 3.7 1.9 0.7 volume=542791.445 peak=330 ppm1=8.006 ppm2=4.143
assign ( resid 25 and name HD1#
)
( resid 25 and name HB
) 3.1 1.3 0.6 volume=1711767.430 peak=331 ppm1=0.533 ppm2=1.563
assign ( resid 9 and name HB2
)
( resid 9 and name HA
) 3.4 1.6 0.7 volume=912277.072 peak=332 ppm1=3.227 ppm2=4.936
assign ( resid 22 and name HN
)
( resid 21 and name HG1
or resid 21 and name HG2
) 3.3 1.5 0.7 volume=1135382.609 peak=333 ppm1=7.290 ppm2=1.872
assign ( resid 3 and name HD1#
)
( resid 3 and name HG
) 2.8 1.0 0.6 volume=3302756.469 peak=334 ppm1=0.788 ppm2=1.596
assign ( resid 23 and name HG1#
)
( resid 19 and name HD2#
) 3.0 1.2 0.6 volume=1981472.555 peak=335 ppm1=1.165 ppm2=0.736
assign ( resid 24 and name HN
)
( resid 24 and name HB1
) 2.8 1.0 0.6 volume=3327181.406 peak=336 ppm1=6.829 ppm2=1.637
assign ( resid 5 and name HN
)
( resid 19 and name HD1#
) 4.0 2.2 0.8 volume=353289.361 peak=337 ppm1=8.477 ppm2=0.859
assign ( resid 21 and name HA
)
( resid 21 and name HG1
or resid 21 and name HG2
) 2.8 1.0 0.6 volume=2883797.969 peak=338 ppm1=3.792 ppm2=1.887
assign ( resid 5 and name HA
)
( resid 19 and name HD1#
) 3.9 2.1 0.8 volume=408458.164 peak=339 ppm1=4.983 ppm2=0.860
assign ( resid 5 and name HA
)
( resid 12 and name HB2
) 4.3 2.5 0.9 volume=248624.293 peak=340 ppm1=4.988 ppm2=1.437
assign ( resid 2 and name HG12
)
( resid 2 and name HG11
) 2.7 0.9 0.5 volume=3721661.656 peak=341 ppm1=1.225 ppm2=0.869
assign ( resid 19 and name HD1#
)
( resid 5 and name HN
) 4.0 2.2 0.8 volume=385253.773 peak=342 ppm1=0.861 ppm2=8.477
assign ( resid 11 and name HA
)
( resid 11 and name HB1
) 3.3 1.5 0.7 volume=1196323.289 peak=343 ppm1=4.182 ppm2=1.901
assign ( resid 21 and name HN
)
( resid 18 and name HA
) 3.5 1.7 0.7 volume=860488.328 peak=344 ppm1=7.632 ppm2=3.912
assign ( resid 19 and name HD1#
)
( resid 19 and name HB1
) 3.0 1.2 0.6 volume=2143670.531 peak=345 ppm1=0.858 ppm2=1.624
assign ( resid 26 and name HD2
)
( resid 23 and name HB
) 3.7 1.9 0.7 volume=547382.152 peak=346 ppm1=6.636 ppm2=2.218
assign ( resid 21 and name HA
)
( resid 20 and name HB#
) 3.6 1.8 0.7 volume=621541.467 peak=347 ppm1=3.792 ppm2=1.286
assign ( resid 28 and name HB#
)
( resid 28 and name HA
) 3.1 1.3 0.6 volume=1653931.167 peak=348 ppm1=1.268 ppm2=4.150
assign ( resid 15 and name HB2
)
( resid 15 and name HN
) 3.6 1.8 0.7 volume=725840.156 peak=349 ppm1=2.882 ppm2=8.894
assign ( resid 25 and name HN
)
( resid 25 and name HG2#
) 3.4 1.6 0.7 volume=1007297.629 peak=350 ppm1=7.686 ppm2=0.761
assign ( resid 21 and name HN
)
( resid 21 and name HG1
or resid 21 and name HG2
) 2.9 1.1 0.6 volume=2680387.812 peak=351 ppm1=7.632 ppm2=1.868
assign ( resid 2 and name HG2#
)
( resid 2 and name HG11
) 3.2 1.4 0.6 volume=1296321.812 peak=352 ppm1=0.389 ppm2=0.860
assign ( resid 15 and name HB1
)
( resid 15 and name HN
) 3.8 2.0 0.8 volume=482889.254 peak=353 ppm1=2.997 ppm2=8.891
assign ( resid 19 and name HB2
)
( resid 19 and name HD1#
) 2.9 1.1 0.6 volume=2408353.156 peak=354 ppm1=1.442 ppm2=0.855
assign ( resid 25 and name HB
)
( resid 25 and name HD1#
) 3.2 1.4 0.6 volume=1501694.125 peak=355 ppm1=1.558 ppm2=0.536
assign ( resid 16 and name HN
)
( resid 16 and name HB#
) 2.9 1.1 0.6 volume=2534252.727 peak=356 ppm1=8.027 ppm2=0.989
assign ( resid 26 and name HE1
)
( resid 25 and name HD1#
) 3.6 1.8 0.7 volume=656693.398 peak=357 ppm1=7.867 ppm2=0.530
assign ( resid 13 and name HE1
or resid 13 and name HE2
)
( resid 6 and name HB1
) 3.1 1.3 0.6 volume=1687904.852 peak=358 ppm1=6.637 ppm2=2.630
assign ( resid 18 and name HA
)
( resid 18 and name HN
) 3.4 1.6 0.7 volume=936665.637 peak=359 ppm1=3.915 ppm2=8.603
assign ( resid 13 and name HZ
)
( resid 13 and name HE1
or resid 13 and name HE2
) 2.8 1.0 0.6 volume=2894481.703 peak=360 ppm1=6.227 ppm2=6.639
assign ( resid 10 and name HN
)
( resid 10 and name HA2
) 3.3 1.5 0.7 volume=1244274.250 peak=361 ppm1=7.927 ppm2=4.049
assign ( resid 2 and name HD1#
)
( resid 2 and name HG12
) 2.8 1.0 0.6 volume=2853608.562 peak=362 ppm1=0.634 ppm2=1.224
assign ( resid 19 and name HG
)
( resid 19 and name HB1
) 2.7 0.9 0.5 volume=3956450.219 peak=363 ppm1=1.102 ppm2=1.625
assign ( resid 25 and name HN
)
( resid 25 and name HB
) 3.1 1.3 0.6 volume=1646783.516 peak=364 ppm1=7.686 ppm2=1.561
assign ( resid 6 and name HB2
)
( resid 6 and name HN
) 3.2 1.4 0.6 volume=1248516.148 peak=365 ppm1=3.195 ppm2=8.817
assign ( resid 2 and name HN
)
( resid 2 and name HA
) 3.8 2.0 0.8 volume=490094.270 peak=366 ppm1=7.803 ppm2=3.870
assign ( resid 23 and name HG2#
)
( resid 23 and name HB
) 2.8 1.0 0.6 volume=2965228.562 peak=367 ppm1=1.058 ppm2=2.221
assign ( resid 13 and name HE1
or resid 13 and name HE2
)
( resid 11 and name HB2
) 3.5 1.7 0.7 volume=831144.387 peak=368 ppm1=6.636 ppm2=2.059
assign ( resid 13 and name HE1
or resid 13 and name HE2
)
( resid 22 and name HB2
) 3.3 1.5 0.7 volume=1140752.562 peak=369 ppm1=6.637 ppm2=2.894
assign ( resid 5 and name HN
)
( resid 5 and name HB#
) 3.4 1.6 0.7 volume=948265.977 peak=370 ppm1=8.473 ppm2=1.059
assign ( resid 23 and name HA
)
( resid 23 and name HB
) 3.0 1.2 0.6 volume=1873011.062 peak=371 ppm1=3.464 ppm2=2.220
assign ( resid 4 and name HD1
or resid 4 and name HD2
)
( resid 4 and name HB1
) 2.8 1.0 0.6 volume=3303165.109 peak=372 ppm1=6.792 ppm2=2.693
assign ( resid 22 and name HD2
)
( resid 6 and name HA
) 3.4 1.6 0.7 volume=1018691.133 peak=373 ppm1=6.793 ppm2=4.335
assign ( resid 8 and name HB1
)
( resid 8 and name HB2
) 2.8 1.0 0.6 volume=3104570.062 peak=374 ppm1=3.402 ppm2=3.484
assign ( resid 3 and name HD2#
)
( resid 3 and name HG
) 2.8 1.0 0.6 volume=3242618.141 peak=375 ppm1=0.728 ppm2=1.596
assign ( resid 13 and name HD1
or resid 13 and name HD2
)
( resid 13 and name HN
) 3.3 1.5 0.7 volume=1134512.508 peak=376 ppm1=7.004 ppm2=8.535
assign ( resid 13 and name HE1
or resid 13 and name HE2
)
( resid 13 and name HZ
) 2.7 0.9 0.5 volume=3561468.203 peak=377 ppm1=6.637 ppm2=6.223
assign ( resid 11 and name HN
)
( resid 11 and name HA
) 3.5 1.7 0.7 volume=753123.579 peak=378 ppm1=8.195 ppm2=4.182
assign ( resid 21 and name HA
)
( resid 24 and name HD2
or resid 24 and name HD1
) 3.4 1.6 0.7 volume=947139.074 peak=379 ppm1=3.791 ppm2=3.056
assign ( resid 9 and name HN
)
( resid 7 and name HA
) 3.4 1.6 0.7 volume=965732.723 peak=380 ppm1=8.027 ppm2=4.361
assign ( resid 2 and name HG11
)
( resid 2 and name HG2#
) 3.2 1.4 0.6 volume=1498936.891 peak=381 ppm1=0.858 ppm2=0.391
assign ( resid 7 and name HA
)
( resid 9 and name HN
) 3.2 1.4 0.6 volume=1369654.203 peak=383 ppm1=4.361 ppm2=8.021
assign ( resid 25 and name HN
)
( resid 23 and name HA
) 4.0 2.2 0.8 volume=378152.692 peak=384 ppm1=7.685 ppm2=3.460
assign ( resid 23 and name HN
)
( resid 23 and name HA
) 3.3 1.5 0.7 volume=1071727.996 peak=385 ppm1=8.245 ppm2=3.461
assign ( resid 20 and name HB#
)
( resid 20 and name HN
) 2.8 1.0 0.6 volume=3343301.922 peak=386 ppm1=1.295 ppm2=7.732
assign ( resid 19 and name HD1#
)
( resid 19 and name HB2
) 2.7 0.9 0.5 volume=4161770.750 peak=387 ppm1=0.858 ppm2=1.440
assign ( resid 25 and name HN
)
( resid 25 and name HA
) 3.2 1.4 0.6 volume=1365892.000 peak=388 ppm1=7.687 ppm2=3.792
assign ( resid 24 and name HN
)
( resid 25 and name HN
) 3.2 1.4 0.6 volume=1294533.125 peak=389 ppm1=6.829 ppm2=7.683
assign ( resid 13 and name HN
)
( resid 13 and name HD1
or resid 13 and name HD2
) 3.4 1.6 0.7 volume=873917.613 peak=390 ppm1=8.535 ppm2=7.003
assign ( resid 19 and name HD2#
)
( resid 6 and name HB2
) 3.9 2.1 0.8 volume=424938.402 peak=391 ppm1=0.733 ppm2=3.196
assign ( resid 6 and name HN
)
( resid 6 and name HB2
) 3.2 1.4 0.6 volume=1405534.617 peak=392 ppm1=8.816 ppm2=3.192
assign ( resid 16 and name HN
)
( resid 16 and name HA
) 3.3 1.5 0.7 volume=1187691.602 peak=393 ppm1=8.026 ppm2=3.161
assign ( resid 18 and name HA
)
( resid 21 and name HN
) 3.3 1.5 0.7 volume=1145206.695 peak=395 ppm1=3.912 ppm2=7.634
assign ( resid 13 and name HD1
or resid 13 and name HD2
)
( resid 18 and name HB2
or resid 18 and name HB1
) 3.2 1.4 0.6 volume=1436801.445 peak=396 ppm1=7.003 ppm2=3.783
assign ( resid 22 and name HB2
)
( resid 22 and name HA
) 3.5 1.7 0.7 volume=796675.535 peak=397 ppm1=2.915 ppm2=4.030
assign ( resid 16 and name HA
)
( resid 20 and name HN
) 4.0 2.2 0.8 volume=356326.205 peak=398 ppm1=3.146 ppm2=7.729
assign ( resid 26 and name HD2
)
( resid 23 and name HG1#
) 3.3 1.5 0.7 volume=1176446.891 peak=399 ppm1=6.637 ppm2=1.172
assign ( resid 24 and name HA
)
( resid 24 and name HN
) 3.2 1.4 0.6 volume=1448114.484 peak=400 ppm1=3.927 ppm2=6.828
assign ( resid 22 and name HB2
)
( resid 23 and name HN
) 3.5 1.7 0.7 volume=794035.742 peak=401 ppm1=2.915 ppm2=8.246
assign ( resid 23 and name HN
)
( resid 22 and name HB2
) 3.3 1.5 0.7 volume=1186793.527 peak=402 ppm1=8.246 ppm2=2.912
assign ( resid 10 and name HN
)
( resid 10 and name HA1
) 3.0 1.2 0.6 volume=2009586.484 peak=403 ppm1=7.926 ppm2=3.774
assign ( resid 2 and name HG11
)
( resid 2 and name HG12
) 2.7 0.9 0.5 volume=4007943.375 peak=404 ppm1=0.865 ppm2=1.224
assign ( resid 10 and name HN
)
( resid 9 and name HB1
) 3.9 2.1 0.8 volume=403889.465 peak=405 ppm1=7.929 ppm2=2.692
assign ( resid 25 and name HN
)
( resid 24 and name HN
) 3.3 1.5 0.7 volume=1166208.211 peak=406 ppm1=7.686 ppm2=6.835
assign ( resid 24 and name HB2
)
( resid 24 and name HA
) 3.3 1.5 0.7 volume=1196905.277 peak=407 ppm1=1.715 ppm2=3.928
assign ( resid 19 and name HA
)
( resid 19 and name HN
) 3.5 1.7 0.7 volume=810067.930 peak=408 ppm1=3.065 ppm2=6.794
assign ( resid 23 and name HG1#
)
( resid 23 and name HN
) 3.3 1.5 0.7 volume=1127735.023 peak=409 ppm1=1.167 ppm2=8.240
assign ( resid 17 and name HB1
)
( resid 16 and name HN
) 3.8 2.0 0.8 volume=480679.351 peak=410 ppm1=2.560 ppm2=8.028
assign ( resid 18 and name HN
)
( resid 19 and name HN
) 3.3 1.5 0.7 volume=1142461.289 peak=411 ppm1=8.601 ppm2=6.788
assign ( resid 16 and name HN
)
( resid 15 and name HB1
) 3.7 1.9 0.7 volume=578543.926 peak=412 ppm1=8.027 ppm2=2.999
assign ( resid 19 and name HN
)
( resid 19 and name HB2
) 3.8 2.0 0.8 volume=511531.337 peak=413 ppm1=6.791 ppm2=1.447
assign ( resid 20 and name HN
)
( resid 19 and name HN
) 3.2 1.4 0.6 volume=1297851.996 peak=414 ppm1=7.733 ppm2=6.790
assign ( resid 23 and name HB
)
( resid 23 and name HN
) 3.5 1.7 0.7 volume=781795.152 peak=415 ppm1=2.225 ppm2=8.244
assign ( resid 26 and name HD2
)
( resid 25 and name HG12
) 3.7 1.9 0.7 volume=530585.788 peak=416 ppm1=6.618 ppm2=0.630
assign ( resid 20 and name HN
)
( resid 20 and name HA
) 3.1 1.3 0.6 volume=1771333.570 peak=417 ppm1=7.733 ppm2=3.909
assign ( resid 6 and name HB2
)
( resid 13 and name HE1
or resid 13 and name HE2
) 3.9 2.1 0.8 volume=426206.693 peak=418 ppm1=3.190 ppm2=6.643
assign ( resid 4 and name HE1
or resid 4 and name HE2
)
( resid 4 and name HA
) 3.6 1.8 0.7 volume=661183.840 peak=419 ppm1=6.616 ppm2=4.355
assign ( resid 22 and name HB2
)
( resid 22 and name HB1
) 2.6 0.8 0.5 volume=4315125.719 peak=420 ppm1=2.916 ppm2=2.605
assign ( resid 6 and name HN
)
( resid 5 and name HB#
) 3.8 2.0 0.8 volume=461255.939 peak=421 ppm1=8.813 ppm2=1.057
assign ( resid 23 and name HB
)
( resid 20 and name HA
) 3.8 2.0 0.8 volume=507795.217 peak=422 ppm1=2.233 ppm2=3.912
assign ( resid 19 and name HN
)
( resid 20 and name HN
) 3.3 1.5 0.7 volume=1177333.441 peak=423 ppm1=6.791 ppm2=7.728
assign ( resid 17 and name HB2
)
( resid 16 and name HN
) 3.5 1.7 0.7 volume=852798.818 peak=424 ppm1=2.631 ppm2=8.027
assign ( resid 13 and name HB1
)
( resid 13 and name HB2
) 2.7 0.9 0.5 volume=3736180.500 peak=425 ppm1=3.249 ppm2=2.531
assign ( resid 6 and name HB2
)
( resid 6 and name HB1
) 2.6 0.8 0.5 volume=4961771.719 peak=426 ppm1=3.194 ppm2=2.641
assign ( resid 24 and name HB1
)
( resid 24 and name HA
) 3.5 1.7 0.7 volume=821182.418 peak=427 ppm1=1.626 ppm2=3.927
assign ( resid 21 and name HN
)
( resid 21 and name HA
) 3.1 1.3 0.6 volume=1706003.898 peak=428 ppm1=7.631 ppm2=3.789
assign ( resid 19 and name HB2
)
( resid 19 and name HD2#
) 3.0 1.2 0.6 volume=1963096.312 peak=429 ppm1=1.443 ppm2=0.732
assign ( resid 22 and name HN
)
( resid 23 and name HN
) 3.2 1.4 0.6 volume=1281068.254 peak=430 ppm1=7.289 ppm2=8.244
assign ( resid 25 and name HN
)
( resid 21 and name HG1
) 3.7 1.9 0.7 volume=540139.303 peak=431 ppm1=7.696 ppm2=1.894
assign ( resid 19 and name HD2#
)
( resid 6 and name HA
) 3.5 1.7 0.7 volume=862658.984 peak=433 ppm1=0.732 ppm2=4.336
assign ( resid 7 and name HN
)
( resid 7 and name HA
) 3.7 1.9 0.7 volume=607111.410 peak=434 ppm1=9.029 ppm2=4.334
assign ( resid 22 and name HB2
)
( resid 22 and name HN
) 3.1 1.3 0.6 volume=1571929.227 peak=435 ppm1=2.915 ppm2=7.292
assign ( resid 25 and name HN
)
( resid 25 and name HG11
) 3.1 1.3 0.6 volume=1531418.816 peak=437 ppm1=7.687 ppm2=0.443
assign ( resid 21 and name HE21
)
( resid 21 and name HE22
) 3.3 1.5 0.7 volume=1059259.271 peak=438 ppm1=6.786 ppm2=7.610
assign ( resid 13 and name HE1
or resid 13 and name HE2
)
( resid 19 and name HD2#
) 3.3 1.5 0.7 volume=1226694.479 peak=439 ppm1=6.638 ppm2=0.735
assign ( resid 19 and name HN
)
( resid 19 and name HB1
) 3.0 1.2 0.6 volume=2147860.359 peak=440 ppm1=6.791 ppm2=1.625
assign ( resid 23 and name HN
)
( resid 23 and name HB
) 3.2 1.4 0.6 volume=1322876.965 peak=441 ppm1=8.245 ppm2=2.222
assign ( resid 21 and name HB2
or resid 21 and name HB1
)
( resid 21 and name HN
) 4.0 2.2 0.8 volume=372372.872 peak=442 ppm1=2.248 ppm2=7.633
assign ( resid 23 and name HG2#
)
( resid 23 and name HA
) 3.3 1.5 0.7 volume=1068111.316 peak=444 ppm1=1.058 ppm2=3.460
assign ( resid 20 and name HB#
)
( resid 21 and name HN
) 3.1 1.3 0.6 volume=1721719.172 peak=445 ppm1=1.295 ppm2=7.627
assign ( resid 6 and name HB2
)
( resid 11 and name HN
) 3.6 1.8 0.7 volume=698221.291 peak=446 ppm1=3.196 ppm2=8.194
assign ( resid 9 and name HB1
)
( resid 9 and name HB2
) 2.6 0.8 0.5 volume=4877803.078 peak=447 ppm1=2.699 ppm2=3.233
assign ( resid 15 and name HN
)
( resid 15 and name HB2
) 3.4 1.6 0.7 volume=889643.426 peak=448 ppm1=8.892 ppm2=2.882
assign ( resid 22 and name HB2
)
( resid 22 and name HD2
) 3.5 1.7 0.7 volume=759444.598 peak=449 ppm1=2.916 ppm2=6.802
assign ( resid 4 and name HB1
)
( resid 19 and name HG
) 3.7 1.9 0.7 volume=600008.855 peak=450 ppm1=2.695 ppm2=1.103
assign ( resid 26 and name HN
)
( resid 25 and name HA
) 4.0 2.2 0.8 volume=378466.614 peak=451 ppm1=7.159 ppm2=3.787
assign ( resid 19 and name HD2#
)
( resid 13 and name HD1
or resid 13 and name HD2
) 3.2 1.4 0.6 volume=1358366.570 peak=452 ppm1=0.732 ppm2=7.003
assign ( resid 19 and name HD2#
)
( resid 23 and name HG1#
) 2.9 1.1 0.6 volume=2299712.523 peak=453 ppm1=0.732 ppm2=1.159
assign ( resid 13 and name HB1
)
( resid 18 and name HB2
or resid 18 and name HB1
) 3.4 1.6 0.7 volume=887082.281 peak=454 ppm1=3.242 ppm2=3.789
assign ( resid 9 and name HB1
)
( resid 26 and name HE1
) 3.4 1.6 0.7 volume=899134.303 peak=455 ppm1=2.702 ppm2=7.874
assign ( resid 22 and name HE1
)
( resid 25 and name HD1#
) 3.0 1.2 0.6 volume=1929056.156 peak=456 ppm1=7.898 ppm2=0.531
assign ( resid 23 and name HB
)
( resid 23 and name HA
) 3.3 1.5 0.7 volume=1126490.016 peak=457 ppm1=2.222 ppm2=3.463
assign ( resid 16 and name HN
)
( resid 17 and name HB2
) 3.1 1.3 0.6 volume=1567060.750 peak=458 ppm1=8.027 ppm2=2.642
assign ( resid 24 and name HG2
or resid 24 and name HG1
)
( resid 24 and name HA
) 3.4 1.6 0.7 volume=896916.535 peak=459 ppm1=1.498 ppm2=3.921
assign ( resid 21 and name HG2
)
( resid 21 and name HN
) 3.3 1.5 0.7 volume=1096467.668 peak=460 ppm1=1.853 ppm2=7.629
assign ( resid 20 and name HB#
)
( resid 20 and name HA
) 2.6 0.8 0.5 volume=4543519.844 peak=461 ppm1=1.295 ppm2=3.907
assign ( resid 18 and name HB2
or resid 18 and name HB1
)
( resid 19 and name HN
) 3.5 1.7 0.7 volume=796166.965 peak=462 ppm1=3.793 ppm2=6.806
assign ( resid 26 and name HB2
)
( resid 26 and name HD2
) 3.4 1.6 0.7 volume=880623.047 peak=463 ppm1=3.143 ppm2=6.634
assign ( resid 13 and name HD1
or resid 13 and name HD2
)
( resid 13 and name HB2
) 2.9 1.1 0.6 volume=2267623.438 peak=464 ppm1=7.004 ppm2=2.534
assign ( resid 22 and name HB1
)
( resid 22 and name HA
) 3.1 1.3 0.6 volume=1618098.289 peak=465 ppm1=2.596 ppm2=4.032
assign ( resid 23 and name HA
)
( resid 25 and name HN
) 3.9 2.1 0.8 volume=436608.955 peak=466 ppm1=3.462 ppm2=7.702
assign ( resid 19 and name HA
)
( resid 22 and name HN
) 3.8 2.0 0.8 volume=499309.475 peak=467 ppm1=3.061 ppm2=7.294
assign ( resid 18 and name HA
)
( resid 22 and name HN
) 3.8 2.0 0.8 volume=516533.238 peak=468 ppm1=3.913 ppm2=7.295
assign ( resid 25 and name HB
)
( resid 25 and name HA
) 3.1 1.3 0.6 volume=1621718.705 peak=469 ppm1=1.560 ppm2=3.793
assign ( resid 25 and name HD1#
)
( resid 25 and name HA
) 3.9 2.1 0.8 volume=424641.999 peak=470 ppm1=0.535 ppm2=3.792
assign ( resid 15 and name HB1
)
( resid 15 and name HA
) 3.5 1.7 0.7 volume=767273.820 peak=471 ppm1=2.999 ppm2=4.262
assign ( resid 25 and name HA
)
( resid 24 and name HB1
) 3.3 1.5 0.7 volume=1065188.109 peak=472 ppm1=3.793 ppm2=1.651
assign ( resid 21 and name HG1
)
( resid 21 and name HA
) 3.2 1.4 0.6 volume=1326640.311 peak=473 ppm1=1.896 ppm2=3.792
assign ( resid 13 and name HB2
)
( resid 13 and name HB1
) 2.8 1.0 0.6 volume=3258061.859 peak=474 ppm1=2.529 ppm2=3.254
assign ( resid 21 and name HG1
)
( resid 21 and name HE22
) 3.2 1.4 0.6 volume=1380011.336 peak=475 ppm1=1.885 ppm2=7.617
assign ( resid 26 and name HE1
)
( resid 9 and name HB1
) 2.9 1.1 0.6 volume=2591270.953 peak=476 ppm1=7.867 ppm2=2.701
assign ( resid 5 and name HN
)
( resid 4 and name HA
) 3.3 1.5 0.7 volume=1119779.219 peak=477 ppm1=8.474 ppm2=4.325
assign ( resid 25 and name HG11
)
( resid 25 and name HA
) 3.1 1.3 0.6 volume=1532059.678 peak=478 ppm1=0.442 ppm2=3.794
assign ( resid 4 and name HA
)
( resid 3 and name HD2#
) 3.2 1.4 0.6 volume=1373202.047 peak=479 ppm1=4.334 ppm2=0.725
assign ( resid 19 and name HA
)
( resid 13 and name HD1
or resid 13 and name HD2
) 3.9 2.1 0.8 volume=404763.684 peak=480 ppm1=3.065 ppm2=7.004
assign ( resid 6 and name HB1
)
( resid 6 and name HB2
) 2.5 0.7 0.5 volume=5354093.438 peak=481 ppm1=2.645 ppm2=3.193
assign ( resid 3 and name HA
)
( resid 3 and name HG
) 3.5 1.7 0.7 volume=840146.506 peak=482 ppm1=4.421 ppm2=1.601
assign ( resid 23 and name HG2#
)
( resid 23 and name HN
) 3.0 1.2 0.6 volume=1925686.141 peak=483 ppm1=1.058 ppm2=8.243
assign ( resid 19 and name HB1
)
( resid 20 and name HN
) 3.3 1.5 0.7 volume=1101981.781 peak=484 ppm1=1.625 ppm2=7.723
assign ( resid 9 and name HB2
)
( resid 26 and name HE1
) 3.7 1.9 0.7 volume=540803.625 peak=485 ppm1=3.232 ppm2=7.872
assign ( resid 19 and name HD2#
)
( resid 13 and name HE1
or resid 13 and name HE2
) 3.5 1.7 0.7 volume=791036.551 peak=486 ppm1=0.730 ppm2=6.637
assign ( resid 20 and name HN
)
( resid 17 and name HA
) 3.9 2.1 0.8 volume=445664.709 peak=487 ppm1=7.733 ppm2=4.237
assign ( resid 25 and name HA
)
( resid 26 and name HN
) 3.9 2.1 0.8 volume=396198.734 peak=488 ppm1=3.787 ppm2=7.165
assign ( resid 24 and name HD2
or resid 24 and name HD1
)
( resid 21 and name HA
) 3.5 1.7 0.7 volume=776688.344 peak=489 ppm1=3.052 ppm2=3.791
Contact the webmaster for help, if required. Tuesday, May 21, 2024 7:15:28 AM GMT (wattos1)