NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
551870 |
2m0d   |
18806 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign ( resid 23 and name HD2#
)
( resid 23 and name HA
) 6.0 4.2 0.0 volume=0.065 peak=497 ppm1=0.994 ppm2=3.785
assign ( resid 8 and name HD1 or resid 8 and name HD2
)
( resid 8 and name HN
) 5.0 3.2 1.0 volume=0.146 peak=36 ppm1=6.692 ppm2=8.953
assign ( resid 18 and name HB1
or resid 18 and name HB2
)
( resid 13 and name HD1 or resid 13 and name HD2
) 5.4 3.6 0.6 volume=0.083 peak=710 ppm1=3.797 ppm2=7.009
assign ( resid 19 and name HG2
or resid 19 and name HG1
)
( resid 23 and name HB2
) 4.1 2.3 0.8 volume=0.213 peak=558 ppm1=0.986 ppm2=1.894
assign ( resid 24 and name HN
)
( resid 22 and name HA
) 5.1 3.3 0.9 volume=0.063 peak=299 ppm1=7.113 ppm2=4.174
assign ( resid 22 and name HN
)
( resid 22 and name HB2
) 2.8 1.0 0.6 volume=2.199 peak=398 ppm1=7.365 ppm2=2.848
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 19 and name HB2
) 4.3 2.5 0.9 volume=0.322 peak=110 ppm1=7.038 ppm2=1.583
assign ( resid 26 and name HN
)
( resid 26 and name HB1
) 4.0 2.2 0.8 volume=0.257 peak=236 ppm1=7.077 ppm2=2.608
assign ( resid 19 and name HN
)
( resid 19 and name HB2
) 3.5 1.7 0.7 volume=0.575 peak=318 ppm1=6.757 ppm2=1.607
assign ( resid 20 and name HN
)
( resid 17 and name HA
) 3.3 1.5 0.7 volume=0.825 peak=298 ppm1=7.826 ppm2=3.758
assign ( resid 13 and name HN
)
( resid 19 and name HB1
) 4.2 2.4 0.8 volume=0.189 peak=381 ppm1=8.388 ppm2=1.378
assign ( resid 21 and name HG2
or resid 21 and name HG1
)
( resid 21 and name HD2
or resid 21 and name HD1
) 3.4 1.6 0.7 volume=0.651 peak=601 ppm1=1.510 ppm2=3.020
assign ( resid 8 and name HB1
)
( resid 8 and name HN
) 5.7 3.9 0.3 volume=0.032 peak=447 ppm1=2.376 ppm2=8.947
assign ( resid 21 and name HN
)
( resid 17 and name HA
) 4.0 2.2 0.8 volume=0.281 peak=343 ppm1=8.064 ppm2=3.751
assign ( resid 4 and name HN
)
( resid 3 and name HD1
) 4.0 2.2 0.8 volume=0.282 peak=323 ppm1=7.961 ppm2=3.471
assign ( resid 8 and name HD1 or resid 8 and name HD2
)
( resid 8 and name HB2
) 5.2 3.4 0.8 volume=0.108 peak=7 ppm1=6.704 ppm2=1.743
assign ( resid 24 and name HG2
)
( resid 24 and name HB2
or resid 24 and name HB1
) 3.7 1.9 0.7 volume=0.387 peak=469 ppm1=2.188 ppm2=1.977
assign ( resid 12 and name HN
)
( resid 12 and name HB2
or resid 12 and name HB1
) 3.3 1.5 0.7 volume=0.909 peak=386 ppm1=7.889 ppm2=3.482
assign ( resid 8 and name HB2
)
( resid 8 and name HN
) 6.0 4.2 0.0 volume=0.020 peak=605 ppm1=1.754 ppm2=8.933
assign ( resid 23 and name HN
)
( resid 23 and name HB2
) 3.3 1.5 0.7 volume=0.837 peak=340 ppm1=8.382 ppm2=1.897
assign ( resid 23 and name HA
)
( resid 23 and name HD1#
) 4.7 2.9 0.9 volume=0.299 peak=543 ppm1=3.788 ppm2=1.138
assign ( resid 6 and name HB2
)
( resid 11 and name HN
) 5.0 3.2 1.0 volume=0.069 peak=452 ppm1=3.356 ppm2=7.938
assign ( resid 17 and name HN
)
( resid 17 and name HB
) 3.3 1.5 0.7 volume=0.895 peak=288 ppm1=7.855 ppm2=4.016
assign ( resid 21 and name HN
)
( resid 20 and name HN
) 3.5 1.7 0.7 volume=0.561 peak=246 ppm1=8.062 ppm2=7.834
assign ( resid 26 and name HE1
)
( resid 9 and name HB1
) 4.1 2.3 0.8 volume=0.216 peak=171 ppm1=7.931 ppm2=3.335
assign ( resid 19 and name HA
)
( resid 19 and name HB2
) 6.0 4.2 0.0 volume=0.022 peak=429 ppm1=2.619 ppm2=1.582
assign ( resid 20 and name HA
)
( resid 23 and name HN
) 5.4 3.6 0.6 volume=0.045 peak=434 ppm1=3.916 ppm2=8.388
assign ( resid 8 and name HA
)
( resid 8 and name HD1 or resid 8 and name HD2
) 5.5 3.7 0.5 volume=0.079 peak=513 ppm1=4.231 ppm2=6.672
assign ( resid 23 and name HB1
)
( resid 24 and name HN
) 6.0 4.2 0.0 volume=0.015 peak=606 ppm1=1.582 ppm2=7.121
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 19 and name HG2
or resid 19 and name HG1
) 4.4 2.6 0.9 volume=0.309 peak=54 ppm1=7.026 ppm2=1.005
assign ( resid 4 and name HN
)
( resid 3 and name HG2
or resid 3 and name HG1
) 3.9 2.1 0.8 volume=0.317 peak=227 ppm1=7.961 ppm2=1.683
assign ( resid 18 and name HA
)
( resid 21 and name HB2
or resid 21 and name HB1
) 4.0 2.2 0.8 volume=0.258 peak=651 ppm1=3.874 ppm2=1.669
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 16 and name HD1
) 5.0 3.2 1.0 volume=0.131 peak=195 ppm1=6.894 ppm2=3.037
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 13 and name HZ
) 5.0 3.2 1.0 volume=0.134 peak=76 ppm1=7.029 ppm2=5.878
assign ( resid 11 and name HD2
)
( resid 11 and name HG1
) 4.1 2.3 0.8 volume=0.228 peak=415 ppm1=2.734 ppm2=1.707
assign ( resid 3 and name HB1
)
( resid 3 and name HB2
) 3.5 1.7 0.7 volume=0.544 peak=604 ppm1=1.920 ppm2=1.309
assign ( resid 19 and name HA
)
( resid 19 and name HB1
) 5.0 3.2 1.0 volume=0.065 peak=518 ppm1=2.619 ppm2=1.398
assign ( resid 26 and name HN
)
( resid 23 and name HD2#
) 5.2 3.4 0.8 volume=0.171 peak=228 ppm1=7.079 ppm2=1.031
assign ( resid 12 and name HN
)
( resid 12 and name HA
) 3.8 2.0 0.8 volume=0.380 peak=270 ppm1=7.891 ppm2=4.885
assign ( resid 23 and name HD1#
)
( resid 23 and name HB1
) 4.5 2.7 0.9 volume=0.389 peak=616 ppm1=1.132 ppm2=1.603
assign ( resid 22 and name HB1
)
( resid 22 and name HB2
) 4.2 2.4 0.8 volume=0.203 peak=540 ppm1=2.710 ppm2=2.862
assign ( resid 8 and name HE1 or resid 8 and name HE2
)
( resid 23 and name HD2#
) 5.8 4.0 0.2 volume=0.170 peak=41 ppm1=6.655 ppm2=0.991
assign ( resid 6 and name HB1
)
( resid 9 and name HN
) 6.0 4.2 0.0 volume=0.022 peak=638 ppm1=2.854 ppm2=8.124
assign ( resid 10 and name HN
)
( resid 9 and name HB1
) 3.8 2.0 0.8 volume=0.384 peak=257 ppm1=7.988 ppm2=3.349
assign ( resid 19 and name HN
)
( resid 17 and name HA
) 3.9 2.1 0.8 volume=0.315 peak=362 ppm1=6.762 ppm2=3.752
assign ( resid 8 and name HD1 or resid 8 and name HD2
)
( resid 26 and name HD2
) 4.5 2.7 0.9 volume=0.271 peak=64 ppm1=6.698 ppm2=6.440
assign ( resid 6 and name HB2
)
( resid 6 and name HB1
) 4.3 2.5 0.9 volume=0.172 peak=698 ppm1=3.361 ppm2=2.853
assign ( resid 22 and name HN
)
( resid 21 and name HN
) 3.5 1.7 0.7 volume=0.546 peak=241 ppm1=7.367 ppm2=8.061
assign ( resid 22 and name HB1
)
( resid 22 and name HA
) 5.2 3.4 0.8 volume=0.056 peak=545 ppm1=2.710 ppm2=4.165
assign ( resid 20 and name HN
)
( resid 16 and name HA
) 3.9 2.1 0.8 volume=0.311 peak=303 ppm1=7.834 ppm2=3.572
assign ( resid 7 and name HB1
)
( resid 8 and name HN
) 6.0 4.2 0.0 volume=0.013 peak=643 ppm1=2.291 ppm2=8.902
assign ( resid 8 and name HD1 or resid 8 and name HD2
)
( resid 8 and name HB1
) 4.9 3.1 1.0 volume=0.148 peak=188 ppm1=6.704 ppm2=2.375
assign ( resid 13 and name HN
)
( resid 12 and name HA
) 3.1 1.3 0.6 volume=1.199 peak=268 ppm1=8.391 ppm2=4.891
assign ( resid 13 and name HN
)
( resid 13 and name HD1 or resid 13 and name HD2
) 4.2 2.4 0.8 volume=0.390 peak=367 ppm1=8.395 ppm2=7.008
assign ( resid 11 and name HD1
)
( resid 11 and name HD2
) 3.2 1.4 0.6 volume=1.072 peak=465 ppm1=2.962 ppm2=2.739
assign ( resid 11 and name HN
)
( resid 9 and name HB2
) 3.8 2.0 0.8 volume=0.382 peak=348 ppm1=7.925 ppm2=2.888
assign ( resid 10 and name HN
)
( resid 9 and name HA
) 4.2 2.4 0.8 volume=0.208 peak=328 ppm1=7.989 ppm2=5.024
assign ( resid 22 and name HD2
)
( resid 22 and name HB1
) 4.9 3.1 1.0 volume=0.079 peak=130 ppm1=6.965 ppm2=2.713
assign ( resid 9 and name HN
)
( resid 8 and name HB1
) 3.8 2.0 0.8 volume=0.378 peak=359 ppm1=8.108 ppm2=2.368
assign ( resid 9 and name HN
)
( resid 9 and name HA
) 3.3 1.5 0.7 volume=0.760 peak=209 ppm1=8.102 ppm2=5.030
assign ( resid 11 and name HB1
)
( resid 12 and name HN
) 4.2 2.4 0.8 volume=0.207 peak=552 ppm1=1.331 ppm2=7.875
assign ( resid 15 and name HN
)
( resid 4 and name HD1 or resid 4 and name HD2
) 4.4 2.6 0.9 volume=0.285 peak=351 ppm1=7.438 ppm2=6.881
assign ( resid 8 and name HE1 or resid 8 and name HE2
)
( resid 8 and name HB1
) 5.3 3.5 0.7 volume=0.096 peak=93 ppm1=6.649 ppm2=2.384
assign ( resid 11 and name HB1
)
( resid 13 and name HD1 or resid 13 and name HD2
) 6.0 4.2 0.0 volume=0.030 peak=548 ppm1=1.342 ppm2=6.994
assign ( resid 21 and name HB2
or resid 21 and name HB1
)
( resid 22 and name HN
) 4.2 2.4 0.8 volume=0.187 peak=603 ppm1=1.644 ppm2=7.370
assign ( resid 24 and name HN
)
( resid 21 and name HA
) 3.7 1.9 0.7 volume=0.405 peak=282 ppm1=7.116 ppm2=3.906
assign ( resid 17 and name HG2#
)
( resid 17 and name HB
) 4.6 2.8 0.9 volume=0.336 peak=611 ppm1=1.029 ppm2=4.024
assign ( resid 16 and name HA
)
( resid 20 and name HN
) 5.6 3.8 0.4 volume=0.033 peak=535 ppm1=3.563 ppm2=7.861
assign ( resid 24 and name HB2
or resid 24 and name HB1
)
( resid 24 and name HA
) 4.6 2.8 0.9 volume=0.111 peak=633 ppm1=1.976 ppm2=3.973
assign ( resid 24 and name HN
)
( resid 23 and name HA
) 4.2 2.4 0.8 volume=0.207 peak=203 ppm1=7.112 ppm2=3.777
assign ( resid 13 and name HB2
)
( resid 13 and name HN
) 5.5 3.7 0.5 volume=0.038 peak=480 ppm1=2.533 ppm2=8.370
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 19 and name HG2
or resid 19 and name HG1
) 5.0 3.2 1.0 volume=0.143 peak=91 ppm1=6.892 ppm2=1.039
assign ( resid 13 and name HZ
)
( resid 19 and name HG2
or resid 19 and name HG1
) 5.7 3.9 0.3 volume=0.033 peak=10 ppm1=5.870 ppm2=0.978
assign ( resid 5 and name HA
)
( resid 5 and name HB1
or resid 5 and name HB2
) 6.0 4.2 0.0 volume=0.003 peak=693 ppm1=4.890 ppm2=1.697
assign ( resid 26 and name HD2
)
( resid 8 and name HD1 or resid 8 and name HD2
) 5.1 3.3 0.9 volume=0.120 peak=120 ppm1=6.442 ppm2=6.694
assign ( resid 22 and name HD2
)
( resid 23 and name HN
) 6.0 4.2 0.0 volume=0.007 peak=81 ppm1=6.969 ppm2=8.363
assign ( resid 23 and name HB1
)
( resid 26 and name HN
) 6.0 4.2 0.0 volume=0.011 peak=463 ppm1=1.571 ppm2=7.040
assign ( resid 11 and name HB1
)
( resid 11 and name HN
) 4.2 2.4 0.8 volume=0.191 peak=714 ppm1=1.323 ppm2=7.927
assign ( resid 19 and name HN
)
( resid 20 and name HN
) 3.7 1.9 0.7 volume=0.424 peak=276 ppm1=6.761 ppm2=7.833
assign ( resid 19 and name HA
)
( resid 23 and name HN
) 6.0 4.2 0.0 volume=0.011 peak=523 ppm1=2.611 ppm2=8.388
assign ( resid 20 and name HB1
)
( resid 20 and name HN
) 5.3 3.5 0.7 volume=0.049 peak=485 ppm1=2.485 ppm2=7.832
assign ( resid 24 and name HG2
)
( resid 24 and name HA
) 5.3 3.5 0.7 volume=0.050 peak=403 ppm1=2.185 ppm2=3.969
assign ( resid 8 and name HB1
)
( resid 8 and name HB2
) 4.8 3.0 1.0 volume=0.084 peak=621 ppm1=2.383 ppm2=1.751
assign ( resid 18 and name HA
)
( resid 19 and name HN
) 5.8 4.0 0.2 volume=0.028 peak=506 ppm1=3.879 ppm2=6.778
assign ( resid 26 and name HD2
)
( resid 26 and name HN
) 4.9 3.1 1.0 volume=0.080 peak=46 ppm1=6.454 ppm2=7.088
assign ( resid 13 and name HB1
)
( resid 13 and name HB2
) 4.4 2.6 0.9 volume=0.145 peak=428 ppm1=3.291 ppm2=2.564
assign ( resid 24 and name HG1
)
( resid 24 and name HG2
) 3.9 2.1 0.8 volume=0.307 peak=681 ppm1=2.394 ppm2=2.186
assign ( resid 9 and name HA
)
( resid 9 and name HN
) 4.7 2.9 0.9 volume=0.099 peak=528 ppm1=5.036 ppm2=8.088
assign ( resid 13 and name HZ
)
( resid 11 and name HB1
) 3.9 2.1 0.8 volume=0.329 peak=148 ppm1=5.870 ppm2=1.334
assign ( resid 13 and name HZ
)
( resid 22 and name HB1
) 4.0 2.2 0.8 volume=0.270 peak=33 ppm1=5.870 ppm2=2.702
assign ( resid 6 and name HB2
)
( resid 6 and name HN
) 5.7 3.9 0.3 volume=0.031 peak=408 ppm1=3.364 ppm2=9.142
assign ( resid 17 and name HA
)
( resid 21 and name HN
) 6.0 4.2 0.0 volume=0.013 peak=424 ppm1=3.757 ppm2=8.046
assign ( resid 22 and name HB2
)
( resid 22 and name HN
) 4.4 2.6 0.9 volume=0.158 peak=588 ppm1=2.861 ppm2=7.363
assign ( resid 13 and name HN
)
( resid 4 and name HB2
) 4.0 2.2 0.8 volume=0.246 peak=308 ppm1=8.397 ppm2=2.790
assign ( resid 17 and name HB
)
( resid 17 and name HG2#
) 4.3 2.5 0.9 volume=0.541 peak=473 ppm1=4.026 ppm2=1.023
assign ( resid 12 and name HN
)
( resid 11 and name HA
) 2.8 1.0 0.6 volume=2.261 peak=287 ppm1=7.891 ppm2=3.896
assign ( resid 23 and name HB2
)
( resid 20 and name HA
) 5.7 3.9 0.3 volume=0.033 peak=663 ppm1=1.903 ppm2=3.906
assign ( resid 15 and name HN
)
( resid 19 and name HB1
) 3.6 1.8 0.7 volume=0.485 peak=392 ppm1=7.450 ppm2=1.425
assign ( resid 8 and name HN
)
( resid 9 and name HN
) 3.3 1.5 0.7 volume=0.771 peak=253 ppm1=8.937 ppm2=8.106
assign ( resid 15 and name HN
)
( resid 19 and name HN
) 3.9 2.1 0.8 volume=0.291 peak=223 ppm1=7.438 ppm2=6.722
assign ( resid 17 and name HN
)
( resid 16 and name HB1
or resid 16 and name HB2
) 3.7 1.9 0.7 volume=0.447 peak=230 ppm1=7.856 ppm2=1.864
assign ( resid 22 and name HN
)
( resid 19 and name HA
) 3.1 1.3 0.6 volume=1.132 peak=312 ppm1=7.366 ppm2=2.615
assign ( resid 4 and name HN
)
( resid 4 and name HB1
) 3.7 1.9 0.7 volume=0.395 peak=292 ppm1=7.960 ppm2=2.627
assign ( resid 20 and name HG1
or resid 20 and name HG2
)
( resid 20 and name HB1
) 3.5 1.7 0.7 volume=0.575 peak=458 ppm1=2.043 ppm2=2.499
assign ( resid 13 and name HB1
)
( resid 13 and name HN
) 5.8 4.0 0.2 volume=0.029 peak=709 ppm1=3.286 ppm2=8.364
assign ( resid 23 and name HN
)
( resid 23 and name HA
) 4.0 2.2 0.8 volume=0.266 peak=258 ppm1=8.383 ppm2=3.764
assign ( resid 11 and name HB1
)
( resid 11 and name HG1
) 3.8 2.0 0.8 volume=0.337 peak=533 ppm1=1.324 ppm2=1.700
assign ( resid 9 and name HB1
)
( resid 9 and name HA
) 4.5 2.7 0.9 volume=0.124 peak=557 ppm1=3.336 ppm2=5.026
assign ( resid 6 and name HN
)
( resid 5 and name HA
) 3.2 1.4 0.6 volume=1.057 peak=356 ppm1=9.123 ppm2=4.856
assign ( resid 11 and name HD1
)
( resid 12 and name HN
) 4.6 2.8 0.9 volume=0.114 peak=436 ppm1=2.963 ppm2=7.868
assign ( resid 22 and name HB2
)
( resid 22 and name HB1
) 4.2 2.4 0.8 volume=0.207 peak=474 ppm1=2.861 ppm2=2.711
assign ( resid 6 and name HB1
)
( resid 22 and name HD2
) 4.8 3.0 1.0 volume=0.093 peak=549 ppm1=2.857 ppm2=6.967
assign ( resid 21 and name HN
)
( resid 20 and name HB1
) 4.2 2.4 0.8 volume=0.186 peak=337 ppm1=8.066 ppm2=2.497
assign ( resid 18 and name HN
)
( resid 17 and name HA
) 3.1 1.3 0.6 volume=1.219 peak=235 ppm1=8.652 ppm2=3.763
assign ( resid 9 and name HN
)
( resid 9 and name HB1
) 3.4 1.6 0.7 volume=0.690 peak=317 ppm1=8.104 ppm2=3.329
assign ( resid 4 and name HN
)
( resid 4 and name HB2
) 3.5 1.7 0.7 volume=0.551 peak=297 ppm1=7.961 ppm2=2.809
assign ( resid 9 and name HN
)
( resid 8 and name HN
) 3.3 1.5 0.7 volume=0.834 peak=214 ppm1=8.101 ppm2=8.932
assign ( resid 11 and name HB1
)
( resid 11 and name HB2
) 3.3 1.5 0.7 volume=0.835 peak=656 ppm1=1.333 ppm2=1.187
assign ( resid 8 and name HN
)
( resid 8 and name HB2
) 3.6 1.8 0.7 volume=0.489 peak=380 ppm1=8.933 ppm2=1.747
assign ( resid 21 and name HG2
or resid 21 and name HG1
)
( resid 21 and name HN
) 4.7 2.9 0.9 volume=0.105 peak=676 ppm1=1.506 ppm2=8.080
assign ( resid 19 and name HA
)
( resid 22 and name HN
) 5.5 3.7 0.5 volume=0.040 peak=600 ppm1=2.619 ppm2=7.399
assign ( resid 11 and name HN
)
( resid 11 and name HA
) 3.5 1.7 0.7 volume=0.604 peak=332 ppm1=7.924 ppm2=3.894
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 19 and name HA
) 4.2 2.4 0.8 volume=0.405 peak=182 ppm1=7.021 ppm2=2.608
assign ( resid 23 and name HB2
)
( resid 23 and name HB1
) 4.1 2.3 0.8 volume=0.240 peak=446 ppm1=1.902 ppm2=1.583
assign ( resid 6 and name HN
)
( resid 9 and name HB2
) 4.0 2.2 0.8 volume=0.248 peak=342 ppm1=9.117 ppm2=2.887
assign ( resid 19 and name HG2
or resid 19 and name HG1
)
( resid 13 and name HB2
) 4.6 2.8 0.9 volume=0.115 peak=583 ppm1=0.996 ppm2=2.606
assign ( resid 24 and name HN
)
( resid 23 and name HB1
) 4.0 2.2 0.8 volume=0.274 peak=322 ppm1=7.116 ppm2=1.605
assign ( resid 8 and name HE1 or resid 8 and name HE2
)
( resid 8 and name HD1 or resid 8 and name HD2
) 2.8 1.0 0.6 volume=9.742 peak=125 ppm1=6.644 ppm2=6.691
assign ( resid 15 and name HN
)
( resid 13 and name HD1 or resid 13 and name HD2
) 4.9 3.1 1.0 volume=0.159 peak=385 ppm1=7.444 ppm2=7.018
assign ( resid 8 and name HN
)
( resid 6 and name HB2
) 4.2 2.4 0.8 volume=0.205 peak=264 ppm1=8.920 ppm2=3.370
assign ( resid 3 and name HB1
)
( resid 3 and name HG2
or resid 3 and name HG1
) 3.6 1.8 0.7 volume=0.491 peak=567 ppm1=1.919 ppm2=1.695
assign ( resid 9 and name HN
)
( resid 6 and name HB1
) 3.5 1.7 0.7 volume=0.585 peak=221 ppm1=8.102 ppm2=2.846
assign ( resid 16 and name HB1
or resid 16 and name HB2
)
( resid 16 and name HD1
) 5.8 4.0 0.2 volume=0.029 peak=664 ppm1=1.856 ppm2=3.044
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 13 and name HB1
) 4.7 2.9 0.9 volume=0.195 peak=170 ppm1=7.030 ppm2=3.281
assign ( resid 8 and name HD1 or resid 8 and name HD2
)
( resid 23 and name HD2#
) 6.0 4.2 0.0 volume=0.027 peak=51 ppm1=6.704 ppm2=1.012
assign ( resid 11 and name HB2
)
( resid 11 and name HA
) 4.3 2.5 0.9 volume=0.175 peak=433 ppm1=1.175 ppm2=3.911
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 4 and name HN
) 4.4 2.6 0.9 volume=0.282 peak=162 ppm1=6.897 ppm2=7.952
assign ( resid 17 and name HN
)
( resid 17 and name HA
) 2.9 1.1 0.6 volume=1.880 peak=390 ppm1=7.857 ppm2=3.736
assign ( resid 8 and name HE1 or resid 8 and name HE2
)
( resid 23 and name HD1#
) 5.4 3.6 0.6 volume=0.274 peak=1 ppm1=6.652 ppm2=1.147
assign ( resid 8 and name HN
)
( resid 9 and name HB1
) 4.2 2.4 0.8 volume=0.202 peak=212 ppm1=8.918 ppm2=3.348
assign ( resid 20 and name HB1
)
( resid 21 and name HN
) 6.0 4.2 0.0 volume=0.014 peak=650 ppm1=2.488 ppm2=8.044
assign ( resid 22 and name HN
)
( resid 22 and name HA
) 3.3 1.5 0.7 volume=0.760 peak=208 ppm1=7.371 ppm2=4.154
assign ( resid 20 and name HB2
)
( resid 20 and name HN
) 5.1 3.3 0.9 volume=0.059 peak=414 ppm1=2.510 ppm2=7.827
assign ( resid 23 and name HD1#
)
( resid 23 and name HD2#
) 4.4 2.6 0.9 volume=1.300 peak=627 ppm1=1.123 ppm2=1.013
assign ( resid 20 and name HG1
or resid 20 and name HG2
)
( resid 20 and name HA
) 4.7 2.9 0.9 volume=0.105 peak=471 ppm1=2.041 ppm2=3.911
assign ( resid 15 and name HN
)
( resid 4 and name HB2
) 4.0 2.2 0.8 volume=0.272 peak=249 ppm1=7.439 ppm2=2.830
assign ( resid 11 and name HD2
)
( resid 11 and name HD1
) 3.4 1.6 0.7 volume=0.714 peak=517 ppm1=2.734 ppm2=2.963
assign ( resid 9 and name HN
)
( resid 10 and name HN
) 2.8 1.0 0.6 volume=2.273 peak=200 ppm1=8.103 ppm2=7.979
assign ( resid 4 and name HB1
)
( resid 4 and name HB2
) 4.0 2.2 0.8 volume=0.247 peak=655 ppm1=2.654 ppm2=2.829
assign ( resid 23 and name HD2#
)
( resid 8 and name HD1 or resid 8 and name HD2
) 6.0 4.2 0.0 volume=0.075 peak=539 ppm1=1.000 ppm2=6.704
assign ( resid 8 and name HN
)
( resid 7 and name HN
) 4.4 2.6 0.9 volume=0.142 peak=361 ppm1=8.938 ppm2=8.709
assign ( resid 11 and name HG2
or resid 11 and name HG1
)
( resid 11 and name HD2
) 4.4 2.6 0.9 volume=0.151 peak=546 ppm1=1.700 ppm2=2.739
assign ( resid 17 and name HB
)
( resid 18 and name HN
) 4.8 3.0 1.0 volume=0.089 peak=475 ppm1=4.028 ppm2=8.663
assign ( resid 7 and name HA
)
( resid 7 and name HB1
) 4.3 2.5 0.9 volume=0.176 peak=550 ppm1=4.206 ppm2=2.295
assign ( resid 22 and name HN
)
( resid 23 and name HN
) 3.1 1.3 0.6 volume=1.159 peak=240 ppm1=7.371 ppm2=8.380
assign ( resid 23 and name HD2#
)
( resid 23 and name HB2
) 4.7 2.9 0.9 volume=0.293 peak=544 ppm1=0.994 ppm2=1.903
assign ( resid 17 and name HG2#
)
( resid 21 and name HN
) 6.0 4.2 0.0 volume=0.030 peak=657 ppm1=1.026 ppm2=8.058
assign ( resid 17 and name HG2#
)
( resid 17 and name HA
) 4.9 3.1 1.0 volume=0.237 peak=642 ppm1=1.028 ppm2=3.764
assign ( resid 13 and name HN
)
( resid 5 and name HA
) 3.0 1.2 0.6 volume=1.422 peak=216 ppm1=8.394 ppm2=4.875
assign ( resid 26 and name HD2
)
( resid 23 and name HD2#
) 5.6 3.8 0.4 volume=0.101 peak=187 ppm1=6.439 ppm2=0.997
assign ( resid 17 and name HN
)
( resid 15 and name HB1
) 3.8 2.0 0.8 volume=0.362 peak=302 ppm1=7.850 ppm2=2.708
assign ( resid 4 and name HN
)
( resid 4 and name HD1 or resid 4 and name HD2
) 4.5 2.7 0.9 volume=0.257 peak=327 ppm1=7.961 ppm2=6.862
assign ( resid 13 and name HZ
)
( resid 26 and name HE1
) 4.6 2.8 0.9 volume=0.120 peak=140 ppm1=5.870 ppm2=7.913
assign ( resid 20 and name HB2
)
( resid 21 and name HN
) 6.0 4.2 0.0 volume=0.018 peak=685 ppm1=2.522 ppm2=8.051
assign ( resid 23 and name HD1#
)
( resid 8 and name HD1 or resid 8 and name HD2
) 5.8 4.0 0.2 volume=0.165 peak=399 ppm1=1.139 ppm2=6.675
assign ( resid 6 and name HB1
)
( resid 6 and name HN
) 5.3 3.5 0.7 volume=0.046 peak=686 ppm1=2.857 ppm2=9.133
assign ( resid 8 and name HB2
)
( resid 8 and name HB1
) 5.0 3.2 1.0 volume=0.072 peak=435 ppm1=1.743 ppm2=2.374
assign ( resid 23 and name HB1
)
( resid 23 and name HD1#
) 6.0 4.2 0.0 volume=0.068 peak=690 ppm1=1.585 ppm2=1.125
assign ( resid 10 and name HN
)
( resid 11 and name HN
) 3.2 1.4 0.6 volume=0.925 peak=331 ppm1=7.986 ppm2=7.910
assign ( resid 20 and name HE#
)
( resid 23 and name HD2#
) 6.0 4.2 0.0 volume=0.101 peak=534 ppm1=1.923 ppm2=1.020
assign ( resid 8 and name HE1 or resid 8 and name HE2
)
( resid 26 and name HD2
) 4.4 2.6 0.9 volume=0.312 peak=114 ppm1=6.649 ppm2=6.433
assign ( resid 22 and name HN
)
( resid 22 and name HB1
) 2.8 1.0 0.6 volume=2.347 peak=306 ppm1=7.373 ppm2=2.711
assign ( resid 18 and name HN
)
( resid 15 and name HB2
) 4.4 2.6 0.9 volume=0.142 peak=374 ppm1=8.659 ppm2=2.543
assign ( resid 7 and name HB1
)
( resid 7 and name HB2
) 4.1 2.3 0.8 volume=0.212 peak=632 ppm1=2.299 ppm2=1.893
assign ( resid 9 and name HN
)
( resid 23 and name HD2#
) 4.0 2.2 0.8 volume=0.759 peak=206 ppm1=8.102 ppm2=1.024
assign ( resid 11 and name HN
)
( resid 11 and name HB1
) 3.2 1.4 0.6 volume=0.958 peak=278 ppm1=7.924 ppm2=1.337
assign ( resid 21 and name HB2
or resid 21 and name HB1
)
( resid 21 and name HA
) 3.8 2.0 0.8 volume=0.366 peak=615 ppm1=1.658 ppm2=3.901
assign ( resid 9 and name HB1
)
( resid 10 and name HN
) 4.1 2.3 0.8 volume=0.214 peak=500 ppm1=3.326 ppm2=7.955
assign ( resid 22 and name HD2
)
( resid 22 and name HB2
) 4.3 2.5 0.9 volume=0.180 peak=119 ppm1=6.968 ppm2=2.841
assign ( resid 22 and name HA
)
( resid 25 and name HG2#
) 6.0 4.2 0.0 volume=0.068 peak=462 ppm1=4.156 ppm2=1.053
assign ( resid 19 and name HG2
or resid 19 and name HG1
)
( resid 20 and name HN
) 5.3 3.5 0.7 volume=0.046 peak=512 ppm1=0.995 ppm2=7.845
assign ( resid 7 and name HA
)
( resid 7 and name HB2
) 4.2 2.4 0.8 volume=0.205 peak=713 ppm1=4.206 ppm2=1.884
assign ( resid 6 and name HN
)
( resid 9 and name HB1
) 3.7 1.9 0.7 volume=0.439 peak=266 ppm1=9.124 ppm2=3.330
assign ( resid 17 and name HA
)
( resid 20 and name HG1
or resid 20 and name HG2
) 4.6 2.8 0.9 volume=0.107 peak=637 ppm1=3.749 ppm2=2.042
assign ( resid 8 and name HN
)
( resid 8 and name HD1 or resid 8 and name HD2
) 4.3 2.5 0.9 volume=0.331 peak=204 ppm1=8.932 ppm2=6.669
assign ( resid 11 and name HD1
)
( resid 11 and name HA
) 5.2 3.4 0.8 volume=0.055 peak=561 ppm1=2.960 ppm2=3.914
assign ( resid 23 and name HD1#
)
( resid 23 and name HB2
) 4.8 3.0 1.0 volume=0.277 peak=522 ppm1=1.129 ppm2=1.922
assign ( resid 23 and name HB1
)
( resid 23 and name HN
) 5.1 3.3 0.9 volume=0.060 peak=484 ppm1=1.585 ppm2=8.351
assign ( resid 18 and name HB1
or resid 18 and name HB2
)
( resid 15 and name HB2
) 5.0 3.2 1.0 volume=0.066 peak=401 ppm1=3.797 ppm2=2.532
assign ( resid 16 and name HB1
or resid 16 and name HB2
)
( resid 17 and name HN
) 5.0 3.2 1.0 volume=0.071 peak=697 ppm1=1.867 ppm2=7.845
assign ( resid 9 and name HA
)
( resid 9 and name HB2
) 4.5 2.7 0.9 volume=0.124 peak=620 ppm1=5.036 ppm2=2.901
assign ( resid 3 and name HB1
)
( resid 3 and name HD2
) 5.4 3.6 0.6 volume=0.045 peak=427 ppm1=1.912 ppm2=3.603
assign ( resid 21 and name HA
)
( resid 21 and name HG2
or resid 21 and name HG1
) 3.7 1.9 0.7 volume=0.442 peak=595 ppm1=3.917 ppm2=1.526
assign ( resid 11 and name HB2
)
( resid 12 and name HN
) 4.0 2.2 0.8 volume=0.265 peak=680 ppm1=1.175 ppm2=7.871
assign ( resid 22 and name HA
)
( resid 22 and name HN
) 4.8 3.0 1.0 volume=0.093 peak=527 ppm1=4.156 ppm2=7.378
assign ( resid 21 and name HG2
or resid 21 and name HG1
)
( resid 22 and name HN
) 5.7 3.9 0.3 volume=0.033 peak=489 ppm1=1.503 ppm2=7.384
assign ( resid 23 and name HA
)
( resid 25 and name HN
) 4.7 2.9 0.9 volume=0.097 peak=407 ppm1=3.799 ppm2=7.554
assign ( resid 17 and name HG2#
)
( resid 18 and name HN
) 6.0 4.2 0.0 volume=0.046 peak=476 ppm1=1.034 ppm2=8.646
assign ( resid 19 and name HA
)
( resid 13 and name HD1 or resid 13 and name HD2
) 6.0 4.2 0.0 volume=0.038 peak=551 ppm1=2.597 ppm2=7.001
assign ( resid 3 and name HB2
)
( resid 3 and name HA
) 5.1 3.3 0.9 volume=0.059 peak=448 ppm1=1.310 ppm2=4.140
assign ( resid 19 and name HA
)
( resid 20 and name HN
) 6.0 4.2 0.0 volume=0.016 peak=587 ppm1=2.611 ppm2=7.861
assign ( resid 13 and name HZ
)
( resid 11 and name HB2
) 4.0 2.2 0.8 volume=0.245 peak=14 ppm1=5.870 ppm2=1.164
assign ( resid 4 and name HN
)
( resid 13 and name HN
) 4.2 2.4 0.8 volume=0.196 peak=307 ppm1=7.956 ppm2=8.398
assign ( resid 16 and name HA
)
( resid 19 and name HB1
) 5.4 3.6 0.6 volume=0.043 peak=472 ppm1=3.545 ppm2=1.398
assign ( resid 19 and name HG2
or resid 19 and name HG1
)
( resid 19 and name HE2
or resid 19 and name HE1
) 3.8 2.0 0.8 volume=0.336 peak=658 ppm1=0.992 ppm2=2.804
assign ( resid 20 and name HA
)
( resid 20 and name HN
) 3.5 1.7 0.7 volume=0.588 peak=647 ppm1=3.920 ppm2=7.832
assign ( resid 22 and name HN
)
( resid 21 and name HB2
or resid 21 and name HB1
) 2.9 1.1 0.6 volume=1.976 peak=245 ppm1=7.372 ppm2=1.629
assign ( resid 18 and name HN
)
( resid 17 and name HN
) 3.5 1.7 0.7 volume=0.597 peak=391 ppm1=8.651 ppm2=7.848
assign ( resid 17 and name HG2#
)
( resid 21 and name HG2
or resid 21 and name HG1
) 5.5 3.7 0.5 volume=0.115 peak=712 ppm1=1.027 ppm2=1.535
assign ( resid 20 and name HN
)
( resid 20 and name HB2
) 3.3 1.5 0.7 volume=0.891 peak=229 ppm1=7.826 ppm2=2.541
assign ( resid 4 and name HN
)
( resid 4 and name HA
) 3.6 1.8 0.7 volume=0.509 peak=311 ppm1=7.958 ppm2=4.444
assign ( resid 12 and name HN
)
( resid 11 and name HD2
) 4.2 2.4 0.8 volume=0.206 peak=291 ppm1=7.884 ppm2=2.767
assign ( resid 22 and name HB2
)
( resid 23 and name HN
) 5.7 3.9 0.3 volume=0.032 peak=708 ppm1=2.861 ppm2=8.379
assign ( resid 14 and name HB2
or resid 14 and name HB1
)
( resid 15 and name HN
) 6.0 4.2 0.0 volume=0.022 peak=670 ppm1=3.955 ppm2=7.437
assign ( resid 18 and name HN
)
( resid 15 and name HB1
) 4.3 2.5 0.9 volume=0.169 peak=267 ppm1=8.651 ppm2=2.717
assign ( resid 20 and name HA
)
( resid 22 and name HN
) 5.6 3.8 0.4 volume=0.036 peak=556 ppm1=3.920 ppm2=7.359
assign ( resid 24 and name HN
)
( resid 23 and name HN
) 4.0 2.2 0.8 volume=0.276 peak=355 ppm1=7.116 ppm2=8.400
assign ( resid 21 and name HB2
or resid 21 and name HB1
)
( resid 21 and name HN
) 4.3 2.5 0.9 volume=0.174 peak=479 ppm1=1.658 ppm2=8.069
assign ( resid 18 and name HB1
or resid 18 and name HB2
)
( resid 18 and name HA
) 3.0 1.2 0.6 volume=1.484 peak=705 ppm1=3.790 ppm2=3.881
assign ( resid 10 and name HA2
)
( resid 10 and name HA1
) 4.2 2.4 0.8 volume=0.193 peak=687 ppm1=4.040 ppm2=3.748
assign ( resid 17 and name HN
)
( resid 16 and name HD1
) 4.1 2.3 0.8 volume=0.238 peak=396 ppm1=7.847 ppm2=3.025
assign ( resid 23 and name HN
)
( resid 19 and name HA
) 4.1 2.3 0.8 volume=0.215 peak=336 ppm1=8.377 ppm2=2.618
assign ( resid 6 and name HB1
)
( resid 11 and name HB2
) 6.0 4.2 0.0 volume=0.021 peak=468 ppm1=2.851 ppm2=1.219
assign ( resid 22 and name HD2
)
( resid 6 and name HB2
) 4.9 3.1 1.0 volume=0.082 peak=4 ppm1=6.968 ppm2=3.358
assign ( resid 17 and name HN
)
( resid 17 and name HG2#
) 4.2 2.4 0.8 volume=0.559 peak=296 ppm1=7.856 ppm2=1.040
assign ( resid 6 and name HN
)
( resid 6 and name HB1
) 3.7 1.9 0.7 volume=0.414 peak=379 ppm1=9.125 ppm2=2.848
assign ( resid 11 and name HB1
)
( resid 11 and name HD2
) 4.6 2.8 0.9 volume=0.111 peak=675 ppm1=1.337 ppm2=2.725
assign ( resid 24 and name HN
)
( resid 25 and name HN
) 3.9 2.1 0.8 volume=0.287 peak=265 ppm1=7.113 ppm2=7.565
assign ( resid 26 and name HE1
)
( resid 8 and name HB1
) 5.3 3.5 0.7 volume=0.051 peak=181 ppm1=7.923 ppm2=2.367
assign ( resid 17 and name HG2#
)
( resid 20 and name HB1
) 6.0 4.2 0.0 volume=0.053 peak=402 ppm1=1.026 ppm2=2.507
assign ( resid 15 and name HB1
)
( resid 15 and name HN
) 6.0 4.2 0.0 volume=0.021 peak=493 ppm1=2.721 ppm2=7.426
assign ( resid 13 and name HN
)
( resid 13 and name HB1
) 4.1 2.3 0.8 volume=0.239 peak=341 ppm1=8.389 ppm2=3.280
assign ( resid 23 and name HB2
)
( resid 23 and name HD1#
) 6.0 4.2 0.0 volume=0.049 peak=582 ppm1=1.900 ppm2=1.133
assign ( resid 3 and name HB2
)
( resid 4 and name HN
) 4.6 2.8 0.9 volume=0.118 peak=501 ppm1=1.310 ppm2=7.933
assign ( resid 8 and name HD1 or resid 8 and name HD2
)
( resid 8 and name HE1 or resid 8 and name HE2
) 3.4 1.6 0.7 volume=2.953 peak=164 ppm1=6.702 ppm2=6.648
assign ( resid 20 and name HE#
)
( resid 20 and name HB1
) 5.7 3.9 0.3 volume=0.099 peak=467 ppm1=1.918 ppm2=2.470
assign ( resid 20 and name HN
)
( resid 21 and name HN
) 3.6 1.8 0.7 volume=0.529 peak=384 ppm1=7.826 ppm2=8.058
assign ( resid 3 and name HB1
)
( resid 3 and name HA
) 4.5 2.7 0.9 volume=0.124 peak=678 ppm1=1.921 ppm2=4.146
assign ( resid 6 and name HB1
)
( resid 9 and name HB1
) 4.4 2.6 0.9 volume=0.141 peak=566 ppm1=2.854 ppm2=3.338
assign ( resid 10 and name HA1
)
( resid 10 and name HA2
) 4.1 2.3 0.8 volume=0.215 peak=665 ppm1=3.743 ppm2=4.042
assign ( resid 4 and name HN
)
( resid 4 and name HE1 or resid 4 and name HE2
) 5.0 3.2 1.0 volume=0.138 peak=377 ppm1=7.961 ppm2=6.703
assign ( resid 11 and name HA
)
( resid 11 and name HG1
) 3.5 1.7 0.7 volume=0.626 peak=438 ppm1=3.939 ppm2=1.724
assign ( resid 19 and name HA
)
( resid 19 and name HN
) 5.0 3.2 1.0 volume=0.070 peak=450 ppm1=2.617 ppm2=6.767
assign ( resid 21 and name HN
)
( resid 19 and name HA
) 4.3 2.5 0.9 volume=0.177 peak=275 ppm1=8.064 ppm2=2.611
assign ( resid 25 and name HN
)
( resid 25 and name HA
) 3.8 2.0 0.8 volume=0.370 peak=293 ppm1=7.551 ppm2=4.018
assign ( resid 18 and name HA
)
( resid 20 and name HN
) 5.6 3.8 0.4 volume=0.034 peak=432 ppm1=3.868 ppm2=7.791
assign ( resid 13 and name HN
)
( resid 13 and name HB2
) 3.6 1.8 0.7 volume=0.523 peak=389 ppm1=8.393 ppm2=2.546
assign ( resid 20 and name HG1
or resid 20 and name HG2
)
( resid 21 and name HN
) 5.0 3.2 1.0 volume=0.072 peak=608 ppm1=2.044 ppm2=8.050
assign ( resid 23 and name HN
)
( resid 23 and name HD2#
) 4.8 3.0 1.0 volume=0.262 peak=277 ppm1=8.378 ppm2=0.978
assign ( resid 11 and name HA
)
( resid 11 and name HB1
) 3.8 2.0 0.8 volume=0.353 peak=571 ppm1=3.924 ppm2=1.333
assign ( resid 19 and name HN
)
( resid 13 and name HB2
) 3.7 1.9 0.7 volume=0.415 peak=273 ppm1=6.754 ppm2=2.572
assign ( resid 24 and name HG1
)
( resid 24 and name HN
) 5.3 3.5 0.7 volume=0.048 peak=649 ppm1=2.387 ppm2=7.123
assign ( resid 20 and name HB2
)
( resid 20 and name HB1
) 2.7 0.9 0.5 volume=2.514 peak=413 ppm1=2.516 ppm2=2.483
assign ( resid 11 and name HN
)
( resid 9 and name HB1
) 3.6 1.8 0.7 volume=0.498 peak=335 ppm1=7.924 ppm2=3.346
assign ( resid 26 and name HD2
)
( resid 8 and name HE1 or resid 8 and name HE2
) 5.3 3.5 0.7 volume=0.099 peak=57 ppm1=6.440 ppm2=6.656
assign ( resid 15 and name HB2
)
( resid 15 and name HN
) 5.1 3.3 0.9 volume=0.061 peak=654 ppm1=2.548 ppm2=7.440
assign ( resid 19 and name HN
)
( resid 17 and name HN
) 3.7 1.9 0.7 volume=0.396 peak=334 ppm1=6.750 ppm2=7.855
assign ( resid 18 and name HA
)
( resid 18 and name HN
) 5.2 3.4 0.8 volume=0.054 peak=418 ppm1=3.874 ppm2=8.657
assign ( resid 24 and name HN
)
( resid 24 and name HG2
) 3.7 1.9 0.7 volume=0.409 peak=360 ppm1=7.113 ppm2=2.178
assign ( resid 21 and name HA
)
( resid 23 and name HN
) 6.0 4.2 0.0 volume=0.021 peak=688 ppm1=3.901 ppm2=8.388
assign ( resid 4 and name HB2
)
( resid 4 and name HN
) 4.9 3.1 1.0 volume=0.079 peak=531 ppm1=2.808 ppm2=7.944
assign ( resid 23 and name HB2
)
( resid 23 and name HA
) 5.4 3.6 0.6 volume=0.043 peak=692 ppm1=1.901 ppm2=3.767
assign ( resid 18 and name HN
)
( resid 18 and name HB1
or resid 18 and name HB2
) 3.1 1.3 0.6 volume=1.219 peak=280 ppm1=8.651 ppm2=3.787
assign ( resid 9 and name HB2
)
( resid 9 and name HN
) 6.0 4.2 0.0 volume=0.013 peak=578 ppm1=2.880 ppm2=8.102
assign ( resid 22 and name HN
)
( resid 21 and name HA
) 3.5 1.7 0.7 volume=0.595 peak=239 ppm1=7.371 ppm2=3.916
assign ( resid 19 and name HN
)
( resid 19 and name HG2
or resid 19 and name HG1
) 4.0 2.2 0.8 volume=0.253 peak=321 ppm1=6.762 ppm2=1.004
assign ( resid 20 and name HN
)
( resid 19 and name HA
) 3.9 2.1 0.8 volume=0.285 peak=301 ppm1=7.824 ppm2=2.606
assign ( resid 13 and name HN
)
( resid 19 and name HB2
) 4.3 2.5 0.9 volume=0.172 peak=207 ppm1=8.382 ppm2=1.565
assign ( resid 24 and name HN
)
( resid 24 and name HG1
) 3.7 1.9 0.7 volume=0.428 peak=365 ppm1=7.114 ppm2=2.379
assign ( resid 19 and name HN
)
( resid 19 and name HB1
) 3.6 1.8 0.7 volume=0.490 peak=346 ppm1=6.763 ppm2=1.400
assign ( resid 23 and name HN
)
( resid 23 and name HD1#
) 5.5 3.7 0.5 volume=0.119 peak=244 ppm1=8.375 ppm2=1.130
assign ( resid 11 and name HN
)
( resid 6 and name HB1
) 3.8 2.0 0.8 volume=0.382 peak=232 ppm1=7.928 ppm2=2.871
assign ( resid 23 and name HN
)
( resid 22 and name HB2
) 4.1 2.3 0.8 volume=0.219 peak=205 ppm1=8.394 ppm2=2.818
assign ( resid 19 and name HA
)
( resid 22 and name HB2
) 5.0 3.2 1.0 volume=0.066 peak=612 ppm1=2.627 ppm2=2.815
assign ( resid 20 and name HE#
)
( resid 20 and name HB2
) 6.0 4.2 0.0 volume=0.060 peak=562 ppm1=1.921 ppm2=2.542
assign ( resid 8 and name HB2
)
( resid 8 and name HD1 or resid 8 and name HD2
) 6.0 4.2 0.0 volume=0.023 peak=510 ppm1=1.776 ppm2=6.676
assign ( resid 7 and name HB2
)
( resid 8 and name HN
) 6.0 4.2 0.0 volume=0.009 peak=671 ppm1=1.892 ppm2=8.902
assign ( resid 9 and name HB2
)
( resid 9 and name HA
) 5.8 4.0 0.2 volume=0.029 peak=679 ppm1=2.873 ppm2=5.026
assign ( resid 10 and name HN
)
( resid 10 and name HA1
) 3.3 1.5 0.7 volume=0.851 peak=202 ppm1=7.985 ppm2=3.741
assign ( resid 23 and name HD1#
)
( resid 23 and name HA
) 5.2 3.4 0.8 volume=0.156 peak=683 ppm1=1.132 ppm2=3.787
assign ( resid 5 and name HA
)
( resid 6 and name HN
) 5.8 4.0 0.2 volume=0.027 peak=405 ppm1=4.877 ppm2=9.096
assign ( resid 23 and name HB1
)
( resid 23 and name HB2
) 3.9 2.1 0.8 volume=0.312 peak=439 ppm1=1.585 ppm2=1.910
assign ( resid 8 and name HN
)
( resid 7 and name HA
) 3.4 1.6 0.7 volume=0.700 peak=330 ppm1=8.938 ppm2=4.216
assign ( resid 20 and name HA
)
( resid 20 and name HG1
or resid 20 and name HG2
) 3.8 2.0 0.8 volume=0.357 peak=684 ppm1=3.921 ppm2=2.039
assign ( resid 18 and name HN
)
( resid 19 and name HN
) 3.6 1.8 0.7 volume=0.465 peak=234 ppm1=8.651 ppm2=6.747
assign ( resid 22 and name HD2
)
( resid 23 and name HA
) 5.3 3.5 0.7 volume=0.049 peak=113 ppm1=6.969 ppm2=3.758
assign ( resid 5 and name HN
)
( resid 6 and name HN
) 4.5 2.7 0.9 volume=0.123 peak=373 ppm1=8.562 ppm2=9.131
assign ( resid 16 and name HA
)
( resid 4 and name HD1 or resid 4 and name HD2
) 6.0 4.2 0.0 volume=0.017 peak=631 ppm1=3.559 ppm2=6.862
assign ( resid 19 and name HN
)
( resid 16 and name HA
) 4.2 2.4 0.8 volume=0.191 peak=316 ppm1=6.766 ppm2=3.532
assign ( resid 17 and name HA
)
( resid 17 and name HN
) 5.3 3.5 0.7 volume=0.051 peak=440 ppm1=3.751 ppm2=7.855
assign ( resid 20 and name HB1
)
( resid 20 and name HG1
or resid 20 and name HG2
) 3.9 2.1 0.8 volume=0.307 peak=516 ppm1=2.485 ppm2=2.039
assign ( resid 11 and name HB1
)
( resid 11 and name HD1
) 4.9 3.1 1.0 volume=0.073 peak=478 ppm1=1.336 ppm2=2.945
assign ( resid 11 and name HA
)
( resid 11 and name HG2
) 3.4 1.6 0.7 volume=0.751 peak=691 ppm1=3.939 ppm2=1.660
assign ( resid 23 and name HA
)
( resid 23 and name HB1
) 3.3 1.5 0.7 volume=0.850 peak=614 ppm1=3.785 ppm2=1.615
assign ( resid 24 and name HB2
or resid 24 and name HB1
)
( resid 24 and name HN
) 4.7 2.9 0.9 volume=0.100 peak=538 ppm1=1.979 ppm2=7.123
assign ( resid 6 and name HB2
)
( resid 7 and name HN
) 6.0 4.2 0.0 volume=0.003 peak=486 ppm1=3.362 ppm2=8.766
assign ( resid 17 and name HN
)
( resid 20 and name HB2
) 3.9 2.1 0.8 volume=0.310 peak=314 ppm1=7.860 ppm2=2.532
assign ( resid 21 and name HB2
or resid 21 and name HB1
)
( resid 21 and name HD2
or resid 21 and name HD1
) 3.6 1.8 0.7 volume=0.467 peak=659 ppm1=1.647 ppm2=2.995
assign ( resid 24 and name HA
)
( resid 24 and name HN
) 4.9 3.1 1.0 volume=0.082 peak=636 ppm1=3.986 ppm2=7.110
assign ( resid 25 and name HN
)
( resid 25 and name HG2#
) 4.1 2.3 0.8 volume=0.668 peak=262 ppm1=7.554 ppm2=1.065
assign ( resid 20 and name HA
)
( resid 23 and name HD1#
) 4.7 2.9 0.9 volume=0.282 peak=560 ppm1=3.921 ppm2=1.178
assign ( resid 6 and name HB1
)
( resid 9 and name HB2
) 4.2 2.4 0.8 volume=0.188 peak=521 ppm1=2.854 ppm2=2.921
assign ( resid 23 and name HA
)
( resid 23 and name HD2#
) 5.5 3.7 0.5 volume=0.114 peak=696 ppm1=3.789 ppm2=0.984
assign ( resid 24 and name HA
)
( resid 24 and name HG2
) 4.6 2.8 0.9 volume=0.120 peak=619 ppm1=3.979 ppm2=2.182
assign ( resid 11 and name HB2
)
( resid 11 and name HD1
) 4.7 2.9 0.9 volume=0.097 peak=426 ppm1=1.176 ppm2=2.951
assign ( resid 11 and name HG2
or resid 11 and name HG1
)
( resid 11 and name HD1
) 4.1 2.3 0.8 volume=0.232 peak=641 ppm1=1.701 ppm2=2.965
assign ( resid 11 and name HD2
)
( resid 11 and name HA
) 5.5 3.7 0.5 volume=0.041 peak=488 ppm1=2.739 ppm2=3.895
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 6 and name HB1
) 4.5 2.7 0.9 volume=0.260 peak=67 ppm1=7.029 ppm2=2.856
assign ( resid 19 and name HA
)
( resid 19 and name HG2
or resid 19 and name HG1
) 4.7 2.9 0.9 volume=0.101 peak=689 ppm1=2.615 ppm2=1.011
assign ( resid 11 and name HB2
)
( resid 13 and name HD1 or resid 13 and name HD2
) 6.0 4.2 0.0 volume=0.035 peak=406 ppm1=1.160 ppm2=6.998
assign ( resid 11 and name HB1
)
( resid 11 and name HG2
) 4.0 2.2 0.8 volume=0.245 peak=701 ppm1=1.332 ppm2=1.639
assign ( resid 11 and name HB1
)
( resid 11 and name HA
) 4.4 2.6 0.9 volume=0.140 peak=586 ppm1=1.327 ppm2=3.912
assign ( resid 19 and name HN
)
( resid 18 and name HN
) 4.0 2.2 0.8 volume=0.245 peak=366 ppm1=6.764 ppm2=8.651
assign ( resid 7 and name HB1
)
( resid 7 and name HA
) 5.6 3.8 0.4 volume=0.036 peak=646 ppm1=2.310 ppm2=4.189
assign ( resid 25 and name HN
)
( resid 24 and name HA
) 3.6 1.8 0.7 volume=0.475 peak=210 ppm1=7.553 ppm2=3.972
assign ( resid 15 and name HN
)
( resid 13 and name HA
) 2.8 1.0 0.6 volume=2.038 peak=370 ppm1=7.442 ppm2=4.600
assign ( resid 20 and name HN
)
( resid 19 and name HN
) 3.3 1.5 0.7 volume=0.827 peak=259 ppm1=7.831 ppm2=6.754
assign ( resid 3 and name HB2
)
( resid 3 and name HB1
) 3.7 1.9 0.7 volume=0.424 peak=495 ppm1=1.310 ppm2=1.921
assign ( resid 11 and name HB2
)
( resid 11 and name HN
) 4.1 2.3 0.8 volume=0.228 peak=572 ppm1=1.181 ppm2=7.919
assign ( resid 6 and name HN
)
( resid 6 and name HA
) 4.1 2.3 0.8 volume=0.240 peak=310 ppm1=9.128 ppm2=4.249
assign ( resid 11 and name HD2
)
( resid 12 and name HN
) 4.3 2.5 0.9 volume=0.162 peak=494 ppm1=2.741 ppm2=7.886
assign ( resid 11 and name HA
)
( resid 11 and name HB2
) 3.5 1.7 0.7 volume=0.629 peak=609 ppm1=3.928 ppm2=1.193
assign ( resid 16 and name HA
)
( resid 19 and name HN
) 5.4 3.6 0.6 volume=0.042 peak=456 ppm1=3.559 ppm2=6.749
assign ( resid 21 and name HB2
or resid 21 and name HB1
)
( resid 18 and name HA
) 3.7 1.9 0.7 volume=0.427 peak=511 ppm1=1.658 ppm2=3.869
assign ( resid 23 and name HD1#
)
( resid 24 and name HN
) 6.0 4.2 0.0 volume=0.042 peak=669 ppm1=1.136 ppm2=7.084
assign ( resid 21 and name HN
)
( resid 20 and name HG1
or resid 20 and name HG2
) 3.4 1.6 0.7 volume=0.651 peak=220 ppm1=8.066 ppm2=2.030
assign ( resid 22 and name HB1
)
( resid 22 and name HN
) 4.2 2.4 0.8 volume=0.189 peak=555 ppm1=2.708 ppm2=7.371
assign ( resid 19 and name HN
)
( resid 19 and name HA
) 3.7 1.9 0.7 volume=0.415 peak=354 ppm1=6.754 ppm2=2.603
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 16 and name HB1
or resid 16 and name HB2
) 4.8 3.0 1.0 volume=0.173 peak=21 ppm1=6.890 ppm2=1.871
assign ( resid 20 and name HN
)
( resid 19 and name HB2
) 2.9 1.1 0.6 volume=1.668 peak=395 ppm1=7.827 ppm2=1.588
assign ( resid 12 and name HN
)
( resid 11 and name HG2
) 4.0 2.2 0.8 volume=0.272 peak=283 ppm1=7.888 ppm2=1.639
assign ( resid 17 and name HN
)
( resid 16 and name HA
) 3.2 1.4 0.6 volume=1.074 peak=233 ppm1=7.859 ppm2=3.563
assign ( resid 21 and name HN
)
( resid 20 and name HB2
) 4.1 2.3 0.8 volume=0.220 peak=315 ppm1=8.066 ppm2=2.559
assign ( resid 20 and name HB2
or resid 20 and name HB1
)
( resid 17 and name HA
) 5.9 4.1 0.1 volume=0.025 peak=499 ppm1=2.493 ppm2=3.745
assign ( resid 22 and name HN
)
( resid 18 and name HA
) 3.5 1.7 0.7 volume=0.628 peak=199 ppm1=7.369 ppm2=3.877
assign ( resid 17 and name HN
)
( resid 18 and name HN
) 3.6 1.8 0.7 volume=0.476 peak=281 ppm1=7.852 ppm2=8.644
assign ( resid 18 and name HN
)
( resid 16 and name HA
) 4.4 2.6 0.9 volume=0.151 peak=378 ppm1=8.658 ppm2=3.568
assign ( resid 24 and name HA
)
( resid 25 and name HN
) 5.7 3.9 0.3 volume=0.032 peak=674 ppm1=3.998 ppm2=7.544
assign ( resid 19 and name HA
)
( resid 21 and name HN
) 6.0 4.2 0.0 volume=0.006 peak=598 ppm1=2.611 ppm2=8.078
assign ( resid 13 and name HZ
)
( resid 11 and name HG2
) 5.2 3.4 0.8 volume=0.053 peak=180 ppm1=5.870 ppm2=1.638
assign ( resid 16 and name HA
)
( resid 17 and name HN
) 5.6 3.8 0.4 volume=0.036 peak=593 ppm1=3.563 ppm2=7.894
assign ( resid 16 and name HB1
or resid 16 and name HB2
)
( resid 16 and name HD2
) 4.9 3.1 1.0 volume=0.076 peak=483 ppm1=1.869 ppm2=3.568
assign ( resid 23 and name HD2#
)
( resid 23 and name HB1
) 4.7 2.9 0.9 volume=0.313 peak=530 ppm1=0.994 ppm2=1.579
assign ( resid 13 and name HB1
)
( resid 13 and name HD1 or resid 13 and name HD2
) 5.3 3.5 0.7 volume=0.096 peak=597 ppm1=3.286 ppm2=7.025
assign ( resid 6 and name HB2
)
( resid 11 and name HB2
) 6.0 4.2 0.0 volume=0.005 peak=444 ppm1=3.381 ppm2=1.216
assign ( resid 24 and name HN
)
( resid 24 and name HB2
or resid 24 and name HB1
) 3.2 1.4 0.6 volume=1.010 peak=272 ppm1=7.114 ppm2=1.974
assign ( resid 16 and name HA
)
( resid 4 and name HB1
) 5.9 4.1 0.1 volume=0.025 peak=581 ppm1=3.569 ppm2=2.620
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 4 and name HA
) 6.0 4.2 0.0 volume=0.007 peak=123 ppm1=6.897 ppm2=4.451
assign ( resid 11 and name HD1
)
( resid 11 and name HB1
) 3.7 1.9 0.7 volume=0.408 peak=694 ppm1=2.962 ppm2=1.352
assign ( resid 26 and name HD2
)
( resid 23 and name HB2
) 5.0 3.2 1.0 volume=0.067 peak=84 ppm1=6.438 ppm2=1.899
assign ( resid 20 and name HA
)
( resid 21 and name HN
) 4.4 2.6 0.9 volume=0.158 peak=466 ppm1=3.920 ppm2=8.079
assign ( resid 15 and name HN
)
( resid 15 and name HA
) 4.3 2.5 0.9 volume=0.177 peak=383 ppm1=7.438 ppm2=4.748
assign ( resid 3 and name HB1
)
( resid 3 and name HD1
) 6.0 4.2 0.0 volume=0.017 peak=565 ppm1=1.920 ppm2=3.468
assign ( resid 20 and name HB2
)
( resid 21 and name HB2
or resid 21 and name HB1
) 5.2 3.4 0.8 volume=0.057 peak=526 ppm1=2.516 ppm2=1.624
assign ( resid 12 and name HB2
or resid 12 and name HB1
)
( resid 12 and name HN
) 4.6 2.8 0.9 volume=0.117 peak=624 ppm1=3.486 ppm2=7.882
assign ( resid 6 and name HB2
)
( resid 9 and name HB1
) 4.6 2.8 0.9 volume=0.114 peak=573 ppm1=3.362 ppm2=3.323
assign ( resid 24 and name HB2
or resid 24 and name HB1
)
( resid 24 and name HG2
) 2.9 1.1 0.6 volume=1.756 peak=509 ppm1=1.971 ppm2=2.187
assign ( resid 17 and name HB
)
( resid 17 and name HN
) 4.8 3.0 1.0 volume=0.093 peak=430 ppm1=4.018 ppm2=7.858
assign ( resid 17 and name HA
)
( resid 20 and name HB1
) 6.0 4.2 0.0 volume=0.024 peak=431 ppm1=3.755 ppm2=2.467
assign ( resid 5 and name HN
)
( resid 5 and name HA
) 4.4 2.6 0.9 volume=0.155 peak=388 ppm1=8.539 ppm2=4.852
assign ( resid 23 and name HN
)
( resid 24 and name HN
) 4.1 2.3 0.8 volume=0.232 peak=286 ppm1=8.382 ppm2=7.104
assign ( resid 22 and name HA
)
( resid 22 and name HB1
) 4.2 2.4 0.8 volume=0.194 peak=703 ppm1=4.151 ppm2=2.693
assign ( resid 24 and name HA
)
( resid 24 and name HG1
) 5.1 3.3 0.9 volume=0.062 peak=570 ppm1=3.987 ppm2=2.402
assign ( resid 26 and name HD2
)
( resid 26 and name HE1
) 6.0 4.2 0.0 volume=0.019 peak=3 ppm1=6.450 ppm2=7.913
assign ( resid 25 and name HN
)
( resid 26 and name HN
) 3.6 1.8 0.7 volume=0.521 peak=397 ppm1=7.552 ppm2=7.070
assign ( resid 11 and name HD1
)
( resid 11 and name HG2
) 3.6 1.8 0.7 volume=0.501 peak=648 ppm1=2.964 ppm2=1.654
assign ( resid 19 and name HG2
or resid 19 and name HG1
)
( resid 13 and name HD1 or resid 13 and name HD2
) 5.9 4.1 0.1 volume=0.053 peak=702 ppm1=0.989 ppm2=7.020
assign ( resid 13 and name HZ
)
( resid 19 and name HA
) 4.4 2.6 0.9 volume=0.142 peak=73 ppm1=5.882 ppm2=2.618
assign ( resid 24 and name HG2
)
( resid 24 and name HN
) 5.5 3.7 0.5 volume=0.039 peak=412 ppm1=2.186 ppm2=7.117
assign ( resid 20 and name HG1
or resid 20 and name HG2
)
( resid 17 and name HA
) 5.0 3.2 1.0 volume=0.067 peak=707 ppm1=2.043 ppm2=3.728
assign ( resid 23 and name HA
)
( resid 23 and name HB2
) 3.7 1.9 0.7 volume=0.393 peak=496 ppm1=3.788 ppm2=1.905
assign ( resid 16 and name HD1
)
( resid 16 and name HD2
) 3.8 2.0 0.8 volume=0.357 peak=653 ppm1=3.012 ppm2=3.603
assign ( resid 15 and name HN
)
( resid 14 and name HB2
or resid 14 and name HB1
) 3.7 1.9 0.7 volume=0.407 peak=295 ppm1=7.438 ppm2=3.943
assign ( resid 12 and name HA
)
( resid 13 and name HN
) 5.6 3.8 0.4 volume=0.036 peak=504 ppm1=4.907 ppm2=8.389
assign ( resid 4 and name HB2
)
( resid 4 and name HB1
) 3.8 2.0 0.8 volume=0.384 peak=417 ppm1=2.827 ppm2=2.654
assign ( resid 23 and name HD2#
)
( resid 23 and name HN
) 6.0 4.2 0.0 volume=0.035 peak=568 ppm1=0.993 ppm2=8.392
assign ( resid 11 and name HB2
)
( resid 11 and name HG2
) 3.9 2.1 0.8 volume=0.298 peak=622 ppm1=1.177 ppm2=1.647
assign ( resid 11 and name HN
)
( resid 11 and name HB2
) 3.2 1.4 0.6 volume=0.938 peak=201 ppm1=7.924 ppm2=1.195
assign ( resid 17 and name HG2#
)
( resid 20 and name HG1
or resid 20 and name HG2
) 5.8 4.0 0.2 volume=0.085 peak=441 ppm1=1.034 ppm2=2.015
assign ( resid 22 and name HA
)
( resid 25 and name HN
) 6.0 4.2 0.0 volume=0.007 peak=445 ppm1=4.158 ppm2=7.563
assign ( resid 8 and name HN
)
( resid 8 and name HB1
) 3.6 1.8 0.7 volume=0.483 peak=238 ppm1=8.937 ppm2=2.370
assign ( resid 10 and name HN
)
( resid 10 and name HA2
) 3.3 1.5 0.7 volume=0.770 peak=320 ppm1=7.982 ppm2=4.035
assign ( resid 25 and name HN
)
( resid 25 and name HB
) 3.8 2.0 0.8 volume=0.353 peak=300 ppm1=7.551 ppm2=3.920
assign ( resid 8 and name HB2
)
( resid 9 and name HN
) 6.0 4.2 0.0 volume=0.022 peak=602 ppm1=1.760 ppm2=8.094
assign ( resid 21 and name HN
)
( resid 21 and name HA
) 3.2 1.4 0.6 volume=1.046 peak=364 ppm1=8.065 ppm2=3.900
assign ( resid 17 and name HA
)
( resid 18 and name HN
) 6.0 4.2 0.0 volume=0.016 peak=594 ppm1=3.750 ppm2=8.649
assign ( resid 20 and name HB2
)
( resid 20 and name HG1
or resid 20 and name HG2
) 3.8 2.0 0.8 volume=0.360 peak=449 ppm1=2.515 ppm2=2.042
assign ( resid 9 and name HA
)
( resid 10 and name HN
) 4.6 2.8 0.9 volume=0.110 peak=422 ppm1=5.029 ppm2=7.994
assign ( resid 25 and name HN
)
( resid 23 and name HA
) 4.6 2.8 0.9 volume=0.110 peak=215 ppm1=7.568 ppm2=3.730
assign ( resid 10 and name HN
)
( resid 9 and name HN
) 3.4 1.6 0.7 volume=0.678 peak=325 ppm1=7.984 ppm2=8.103
assign ( resid 22 and name HD2
)
( resid 23 and name HD2#
) 6.0 4.2 0.0 volume=0.055 peak=168 ppm1=6.968 ppm2=0.999
assign ( resid 11 and name HN
)
( resid 10 and name HA2
) 3.9 2.1 0.8 volume=0.298 peak=387 ppm1=7.930 ppm2=4.044
assign ( resid 19 and name HG2
or resid 19 and name HG1
)
( resid 19 and name HB1
) 3.2 1.4 0.6 volume=1.007 peak=425 ppm1=0.998 ppm2=1.380
assign ( resid 11 and name HD2
)
( resid 11 and name HB1
) 3.6 1.8 0.7 volume=0.475 peak=660 ppm1=2.742 ppm2=1.366
assign ( resid 5 and name HG2
or resid 5 and name HG1
)
( resid 5 and name HN
) 6.0 4.2 0.0 volume=0.006 peak=607 ppm1=2.005 ppm2=8.521
assign ( resid 11 and name HG2
or resid 11 and name HG1
)
( resid 11 and name HB1
) 3.4 1.6 0.7 volume=0.738 peak=492 ppm1=1.699 ppm2=1.340
assign ( resid 26 and name HE1
)
( resid 8 and name HE1 or resid 8 and name HE2
) 6.0 4.2 0.0 volume=0.024 peak=146 ppm1=7.922 ppm2=6.646
assign ( resid 24 and name HA
)
( resid 24 and name HB2
or resid 24 and name HB1
) 4.1 2.3 0.8 volume=0.242 peak=454 ppm1=3.981 ppm2=1.970
assign ( resid 20 and name HB2
)
( resid 20 and name HA
) 5.1 3.3 0.9 volume=0.058 peak=532 ppm1=2.519 ppm2=3.911
assign ( resid 26 and name HD2
)
( resid 26 and name HB2
) 5.0 3.2 1.0 volume=0.065 peak=112 ppm1=6.445 ppm2=2.476
assign ( resid 20 and name HA
)
( resid 24 and name HN
) 5.7 3.9 0.3 volume=0.031 peak=574 ppm1=3.921 ppm2=7.127
assign ( resid 24 and name HB2
or resid 24 and name HB1
)
( resid 24 and name HG1
) 4.2 2.4 0.8 volume=0.203 peak=585 ppm1=1.971 ppm2=2.381
assign ( resid 7 and name HB2
)
( resid 7 and name HB1
) 4.3 2.5 0.9 volume=0.160 peak=630 ppm1=1.894 ppm2=2.289
assign ( resid 12 and name HN
)
( resid 11 and name HB2
) 3.4 1.6 0.7 volume=0.748 peak=261 ppm1=7.888 ppm2=1.181
assign ( resid 20 and name HB1
)
( resid 20 and name HA
) 5.9 4.1 0.1 volume=0.025 peak=490 ppm1=2.470 ppm2=3.913
assign ( resid 20 and name HB1
)
( resid 20 and name HB2
) 2.8 1.0 0.6 volume=2.144 peak=515 ppm1=2.485 ppm2=2.527
assign ( resid 21 and name HG2
or resid 21 and name HG1
)
( resid 21 and name HB2
or resid 21 and name HB1
) 2.7 0.9 0.5 volume=3.021 peak=577 ppm1=1.510 ppm2=1.656
assign ( resid 12 and name HN
)
( resid 13 and name HN
) 4.5 2.7 0.9 volume=0.135 peak=222 ppm1=7.884 ppm2=8.379
assign ( resid 26 and name HE1
)
( resid 8 and name HB2
) 5.2 3.4 0.8 volume=0.057 peak=197 ppm1=7.933 ppm2=1.711
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 4 and name HB2
) 3.9 2.1 0.8 volume=0.579 peak=78 ppm1=6.894 ppm2=2.830
assign ( resid 4 and name HN
)
( resid 3 and name HB1
) 3.8 2.0 0.8 volume=0.361 peak=347 ppm1=7.957 ppm2=1.925
assign ( resid 4 and name HN
)
( resid 3 and name HB2
) 3.8 2.0 0.8 volume=0.361 peak=357 ppm1=7.961 ppm2=1.305
assign ( resid 7 and name HA
)
( resid 7 and name HN
) 5.8 4.0 0.2 volume=0.027 peak=635 ppm1=4.201 ppm2=8.736
assign ( resid 21 and name HA
)
( resid 21 and name HN
) 4.3 2.5 0.9 volume=0.170 peak=520 ppm1=3.903 ppm2=8.077
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 13 and name HN
) 4.8 3.0 1.0 volume=0.173 peak=100 ppm1=7.029 ppm2=8.388
assign ( resid 22 and name HD2
)
( resid 6 and name HB1
) 4.4 2.6 0.9 volume=0.145 peak=6 ppm1=6.968 ppm2=2.858
assign ( resid 9 and name HB1
)
( resid 9 and name HN
) 5.1 3.3 0.9 volume=0.064 peak=695 ppm1=3.336 ppm2=8.098
assign ( resid 6 and name HB2
)
( resid 22 and name HD2
) 5.1 3.3 0.9 volume=0.060 peak=618 ppm1=3.362 ppm2=6.967
assign ( resid 20 and name HG1
or resid 20 and name HG2
)
( resid 20 and name HN
) 4.5 2.7 0.9 volume=0.136 peak=542 ppm1=2.043 ppm2=7.840
assign ( resid 19 and name HG2
or resid 19 and name HG1
)
( resid 19 and name HN
) 5.0 3.2 1.0 volume=0.072 peak=505 ppm1=0.998 ppm2=6.746
assign ( resid 16 and name HD2
)
( resid 16 and name HD1
) 4.2 2.4 0.8 volume=0.191 peak=623 ppm1=3.586 ppm2=3.020
assign ( resid 4 and name HB2
)
( resid 4 and name HD1 or resid 13 and name HD2
) 4.6 2.8 0.9 volume=0.215 peak=640 ppm1=2.826 ppm2=6.886
assign ( resid 25 and name HN
)
( resid 24 and name HB2
or resid 24 and name HB1
) 4.1 2.3 0.8 volume=0.212 peak=218 ppm1=7.552 ppm2=1.966
assign ( resid 26 and name HD2
)
( resid 23 and name HA
) 4.1 2.3 0.8 volume=0.216 peak=105 ppm1=6.439 ppm2=3.775
assign ( resid 26 and name HE1
)
( resid 26 and name HD2
) 6.0 4.2 0.0 volume=0.000 peak=66 ppm1=7.912 ppm2=6.449
assign ( resid 16 and name HA
)
( resid 4 and name HB2
) 5.8 4.0 0.2 volume=0.027 peak=700 ppm1=3.559 ppm2=2.785
assign ( resid 26 and name HN
)
( resid 25 and name HN
) 4.0 2.2 0.8 volume=0.251 peak=305 ppm1=7.059 ppm2=7.541
assign ( resid 7 and name HB2
)
( resid 7 and name HA
) 6.0 4.2 0.0 volume=0.015 peak=461 ppm1=1.892 ppm2=4.206
assign ( resid 23 and name HA
)
( resid 23 and name HN
) 4.9 3.1 1.0 volume=0.075 peak=645 ppm1=3.793 ppm2=8.390
assign ( resid 23 and name HN
)
( resid 22 and name HA
) 4.4 2.6 0.9 volume=0.142 peak=251 ppm1=8.394 ppm2=4.167
assign ( resid 8 and name HD1 or resid 8 and name HD2
)
( resid 8 and name HA
) 6.0 4.2 0.0 volume=0.038 peak=190 ppm1=6.688 ppm2=4.237
assign ( resid 11 and name HD2
)
( resid 11 and name HB2
) 3.6 1.8 0.7 volume=0.529 peak=591 ppm1=2.740 ppm2=1.210
assign ( resid 15 and name HN
)
( resid 15 and name HB2
) 3.2 1.4 0.6 volume=1.058 peak=369 ppm1=7.440 ppm2=2.546
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 4 and name HE1 or resid 4 and name HE2
) 3.2 1.4 0.6 volume=3.981 peak=30 ppm1=6.887 ppm2=6.701
assign ( resid 11 and name HD1
)
( resid 11 and name HB2
) 3.9 2.1 0.8 volume=0.312 peak=599 ppm1=2.956 ppm2=1.220
assign ( resid 5 and name HG2
or resid 5 and name HG1
)
( resid 5 and name HA
) 6.0 4.2 0.0 volume=0.006 peak=410 ppm1=2.022 ppm2=4.887
assign ( resid 6 and name HB1
)
( resid 6 and name HA
) 6.0 4.2 0.0 volume=0.011 peak=457 ppm1=2.851 ppm2=4.256
assign ( resid 15 and name HN
)
( resid 19 and name HB2
) 3.4 1.6 0.7 volume=0.696 peak=350 ppm1=7.447 ppm2=1.611
assign ( resid 5 and name HN
)
( resid 4 and name HA
) 3.6 1.8 0.7 volume=0.505 peak=289 ppm1=8.548 ppm2=4.462
assign ( resid 11 and name HD1
)
( resid 11 and name HG1
) 3.6 1.8 0.7 volume=0.466 peak=455 ppm1=2.966 ppm2=1.709
assign ( resid 20 and name HN
)
( resid 19 and name HG2
or resid 19 and name HG1
) 3.4 1.6 0.7 volume=0.683 peak=211 ppm1=7.830 ppm2=1.005
assign ( resid 18 and name HB1
or resid 18 and name HB2
)
( resid 18 and name HN
) 5.0 3.2 1.0 volume=0.073 peak=610 ppm1=3.797 ppm2=8.644
assign ( resid 9 and name HB2
)
( resid 9 and name HB1
) 4.4 2.6 0.9 volume=0.142 peak=668 ppm1=2.878 ppm2=3.334
assign ( resid 23 and name HA
)
( resid 24 and name HN
) 5.5 3.7 0.5 volume=0.038 peak=661 ppm1=3.799 ppm2=7.114
assign ( resid 23 and name HN
)
( resid 20 and name HA
) 4.7 2.9 0.9 volume=0.099 peak=255 ppm1=8.391 ppm2=3.921
assign ( resid 9 and name HA
)
( resid 9 and name HB1
) 3.7 1.9 0.7 volume=0.412 peak=554 ppm1=5.031 ppm2=3.333
assign ( resid 24 and name HN
)
( resid 20 and name HA
) 3.6 1.8 0.7 volume=0.526 peak=353 ppm1=7.114 ppm2=3.949
assign ( resid 17 and name HG2#
)
( resid 17 and name HN
) 5.6 3.8 0.4 volume=0.102 peak=477 ppm1=1.028 ppm2=7.862
assign ( resid 9 and name HN
)
( resid 8 and name HA
) 3.7 1.9 0.7 volume=0.393 peak=394 ppm1=8.099 ppm2=4.230
assign ( resid 12 and name HB2
or resid 12 and name HB1
)
( resid 4 and name HN
) 4.0 2.2 0.8 volume=0.265 peak=613 ppm1=3.493 ppm2=7.968
assign ( resid 21 and name HA
)
( resid 21 and name HB2
or resid 21 and name HB1
) 3.4 1.6 0.7 volume=0.710 peak=537 ppm1=3.902 ppm2=1.659
assign ( resid 21 and name HA
)
( resid 21 and name HD2
or resid 21 and name HD1
) 4.6 2.8 0.9 volume=0.117 peak=460 ppm1=3.900 ppm2=2.992
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 19 and name HB1
) 4.5 2.7 0.9 volume=0.270 peak=179 ppm1=6.894 ppm2=1.390
assign ( resid 23 and name HB2
)
( resid 24 and name HN
) 6.0 4.2 0.0 volume=0.013 peak=673 ppm1=1.896 ppm2=7.145
assign ( resid 23 and name HA
)
( resid 26 and name HN
) 5.6 3.8 0.4 volume=0.034 peak=590 ppm1=3.799 ppm2=7.068
assign ( resid 16 and name HA
)
( resid 16 and name HB1
or resid 16 and name HB2
) 4.4 2.6 0.9 volume=0.143 peak=559 ppm1=3.558 ppm2=1.876
assign ( resid 4 and name HB1
)
( resid 4 and name HD1 or resid 4 and name HD2
) 5.2 3.4 0.8 volume=0.110 peak=482 ppm1=2.655 ppm2=6.885
assign ( resid 6 and name HB1
)
( resid 11 and name HN
) 5.3 3.5 0.7 volume=0.047 peak=443 ppm1=2.851 ppm2=7.950
assign ( resid 4 and name HN
)
( resid 3 and name HA
) 3.1 1.3 0.6 volume=1.249 peak=213 ppm1=7.959 ppm2=4.148
assign ( resid 23 and name HD2#
)
( resid 20 and name HA
) 5.6 3.8 0.4 volume=0.105 peak=503 ppm1=0.986 ppm2=3.917
assign ( resid 26 and name HN
)
( resid 26 and name HB2
) 4.3 2.5 0.9 volume=0.181 peak=252 ppm1=7.066 ppm2=2.476
assign ( resid 9 and name HB2
)
( resid 10 and name HN
) 5.0 3.2 1.0 volume=0.070 peak=564 ppm1=2.870 ppm2=7.949
assign ( resid 6 and name HB1
)
( resid 6 and name HB2
) 4.4 2.6 0.9 volume=0.141 peak=525 ppm1=2.854 ppm2=3.362
assign ( resid 5 and name HG2
or resid 5 and name HG1
)
( resid 6 and name HN
) 6.0 4.2 0.0 volume=0.020 peak=487 ppm1=2.021 ppm2=9.116
assign ( resid 8 and name HN
)
( resid 23 and name HD1#
) 5.5 3.7 0.5 volume=0.121 peak=225 ppm1=8.949 ppm2=1.142
assign ( resid 18 and name HA
)
( resid 18 and name HB1
or resid 18 and name HB2
) 3.2 1.4 0.6 volume=0.983 peak=498 ppm1=3.868 ppm2=3.783
assign ( resid 24 and name HG1
)
( resid 24 and name HA
) 5.5 3.7 0.5 volume=0.038 peak=508 ppm1=2.397 ppm2=3.973
assign ( resid 15 and name HB2
)
( resid 16 and name HD2
) 4.6 2.8 0.9 volume=0.112 peak=470 ppm1=2.566 ppm2=3.636
assign ( resid 21 and name HA
)
( resid 25 and name HN
) 6.0 4.2 0.0 volume=0.009 peak=662 ppm1=3.903 ppm2=7.579
assign ( resid 3 and name HB2
)
( resid 3 and name HG2
or resid 3 and name HG1
) 3.9 2.1 0.8 volume=0.324 peak=409 ppm1=1.310 ppm2=1.687
assign ( resid 21 and name HG2
or resid 21 and name HG1
)
( resid 21 and name HA
) 4.1 2.3 0.8 volume=0.211 peak=628 ppm1=1.510 ppm2=3.928
assign ( resid 10 and name HA1
)
( resid 10 and name HN
) 4.6 2.8 0.9 volume=0.107 peak=569 ppm1=3.744 ppm2=8.002
assign ( resid 9 and name HN
)
( resid 9 and name HB2
) 3.5 1.7 0.7 volume=0.624 peak=290 ppm1=8.102 ppm2=2.862
assign ( resid 11 and name HA
)
( resid 11 and name HN
) 3.6 1.8 0.7 volume=0.455 peak=451 ppm1=3.937 ppm2=7.929
assign ( resid 24 and name HA
)
( resid 26 and name HN
) 5.0 3.2 1.0 volume=0.066 peak=411 ppm1=3.990 ppm2=7.078
assign ( resid 8 and name HB1
)
( resid 8 and name HD1 or resid 8 and name HD2
) 5.9 4.1 0.1 volume=0.051 peak=706 ppm1=2.382 ppm2=6.678
assign ( resid 18 and name HN
)
( resid 20 and name HN
) 3.6 1.8 0.7 volume=0.494 peak=250 ppm1=8.651 ppm2=7.826
assign ( resid 24 and name HG1
)
( resid 24 and name HB2
or resid 24 and name HB1
) 4.2 2.4 0.8 volume=0.195 peak=592 ppm1=2.396 ppm2=1.975
assign ( resid 8 and name HD1 or resid 8 and name HD2
)
( resid 23 and name HD1#
) 5.8 4.0 0.2 volume=0.161 peak=134 ppm1=6.704 ppm2=1.145
assign ( resid 25 and name HN
)
( resid 24 and name HN
) 3.6 1.8 0.7 volume=0.507 peak=224 ppm1=7.550 ppm2=7.113
assign ( resid 17 and name HG2#
)
( resid 21 and name HB2
or resid 21 and name HB1
) 5.4 3.6 0.6 volume=0.135 peak=576 ppm1=1.029 ppm2=1.652
assign ( resid 18 and name HN
)
( resid 17 and name HB
) 3.1 1.3 0.6 volume=1.182 peak=294 ppm1=8.651 ppm2=4.033
assign ( resid 12 and name HB2
or resid 12 and name HB1
)
( resid 12 and name HA
) 5.6 3.8 0.4 volume=0.036 peak=423 ppm1=3.496 ppm2=4.895
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 4 and name HB1
) 3.9 2.1 0.8 volume=0.641 peak=40 ppm1=6.891 ppm2=2.652
assign ( resid 9 and name HN
)
( resid 6 and name HB2
) 3.5 1.7 0.7 volume=0.624 peak=263 ppm1=8.102 ppm2=3.342
assign ( resid 4 and name HB1
)
( resid 4 and name HN
) 5.4 3.6 0.6 volume=0.045 peak=666 ppm1=2.639 ppm2=7.946
assign ( resid 21 and name HN
)
( resid 18 and name HA
) 3.3 1.5 0.7 volume=0.825 peak=358 ppm1=8.063 ppm2=3.857
assign ( resid 15 and name HN
)
( resid 14 and name HA
) 3.7 1.9 0.7 volume=0.392 peak=344 ppm1=7.442 ppm2=4.477
assign ( resid 21 and name HN
)
( resid 22 and name HN
) 3.6 1.8 0.7 volume=0.471 peak=237 ppm1=8.061 ppm2=7.361
assign ( resid 8 and name HN
)
( resid 10 and name HN
) 4.5 2.7 0.9 volume=0.126 peak=319 ppm1=8.941 ppm2=7.947
assign ( resid 21 and name HA
)
( resid 24 and name HG2
) 4.3 2.5 0.9 volume=0.176 peak=400 ppm1=3.901 ppm2=2.210
assign ( resid 24 and name HG2
)
( resid 24 and name HG1
) 3.8 2.0 0.8 volume=0.335 peak=579 ppm1=2.190 ppm2=2.390
assign ( resid 21 and name HN
)
( resid 21 and name HD2
or resid 21 and name HD1
) 4.1 2.3 0.8 volume=0.233 peak=382 ppm1=8.064 ppm2=2.973
assign ( resid 11 and name HN
)
( resid 11 and name HG2
) 3.5 1.7 0.7 volume=0.568 peak=260 ppm1=7.924 ppm2=1.629
assign ( resid 8 and name HD1 or resid 8 and name HD2
)
( resid 7 and name HB2
) 6.0 4.2 0.0 volume=0.035 peak=184 ppm1=6.717 ppm2=1.881
assign ( resid 6 and name HN
)
( resid 11 and name HN
) 4.2 2.4 0.8 volume=0.207 peak=269 ppm1=9.122 ppm2=7.921
assign ( resid 23 and name HN
)
( resid 23 and name HB1
) 3.9 2.1 0.8 volume=0.319 peak=324 ppm1=8.385 ppm2=1.587
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 15 and name HN
) 5.1 3.3 0.9 volume=0.118 peak=167 ppm1=6.893 ppm2=7.446
assign ( resid 13 and name HB2
)
( resid 13 and name HB1
) 4.7 2.9 0.9 volume=0.097 peak=419 ppm1=2.559 ppm2=3.293
assign ( resid 24 and name HN
)
( resid 23 and name HB2
) 3.3 1.5 0.7 volume=0.893 peak=254 ppm1=7.112 ppm2=1.934
assign ( resid 13 and name HZ
)
( resid 22 and name HB2
) 4.3 2.5 0.9 volume=0.181 peak=108 ppm1=5.870 ppm2=2.869
assign ( resid 20 and name HN
)
( resid 20 and name HB1
) 3.4 1.6 0.7 volume=0.678 peak=279 ppm1=7.824 ppm2=2.496
assign ( resid 18 and name HN
)
( resid 18 and name HA
) 3.3 1.5 0.7 volume=0.857 peak=375 ppm1=8.652 ppm2=3.880
assign ( resid 15 and name HN
)
( resid 15 and name HB1
) 3.5 1.7 0.7 volume=0.593 peak=247 ppm1=7.438 ppm2=2.697
assign ( resid 18 and name HA
)
( resid 21 and name HN
) 4.9 3.1 1.0 volume=0.076 peak=626 ppm1=3.863 ppm2=8.041
assign ( resid 22 and name HA
)
( resid 22 and name HB2
) 4.7 2.9 0.9 volume=0.102 peak=629 ppm1=4.156 ppm2=2.861
assign ( resid 6 and name HB2
)
( resid 6 and name HA
) 6.0 4.2 0.0 volume=0.004 peak=514 ppm1=3.359 ppm2=4.252
assign ( resid 26 and name HD2
)
( resid 23 and name HD1#
) 4.6 2.8 0.9 volume=0.342 peak=77 ppm1=6.451 ppm2=1.140
assign ( resid 11 and name HG2
or resid 11 and name HG1
)
( resid 11 and name HB2
) 3.4 1.6 0.7 volume=0.663 peak=416 ppm1=1.697 ppm2=1.212
assign ( resid 23 and name HD2#
)
( resid 23 and name HD1#
) 4.8 3.0 1.0 volume=0.800 peak=634 ppm1=0.994 ppm2=1.157
assign ( resid 26 and name HE1
)
( resid 9 and name HB2
) 4.4 2.6 0.9 volume=0.150 peak=5 ppm1=7.924 ppm2=2.869
assign ( resid 20 and name HA
)
( resid 20 and name HB2
) 4.6 2.8 0.9 volume=0.109 peak=519 ppm1=3.924 ppm2=2.533
assign ( resid 6 and name HB2
)
( resid 9 and name HB2
) 4.4 2.6 0.9 volume=0.140 peak=547 ppm1=3.362 ppm2=2.912
assign ( resid 7 and name HA
)
( resid 8 and name HD1 or resid 8 and name HD2
) 6.0 4.2 0.0 volume=0.013 peak=617 ppm1=4.224 ppm2=6.644
assign ( resid 22 and name HB2
)
( resid 22 and name HA
) 5.4 3.6 0.6 volume=0.042 peak=541 ppm1=2.861 ppm2=4.161
assign ( resid 8 and name HB1
)
( resid 9 and name HN
) 5.6 3.8 0.4 volume=0.034 peak=652 ppm1=2.361 ppm2=8.099
assign ( resid 20 and name HB2
)
( resid 23 and name HD2#
) 6.0 4.2 0.0 volume=0.049 peak=421 ppm1=2.504 ppm2=1.010
assign ( resid 11 and name HB2
)
( resid 11 and name HD2
) 4.4 2.6 0.9 volume=0.140 peak=639 ppm1=1.172 ppm2=2.737
assign ( resid 11 and name HN
)
( resid 6 and name HB2
) 3.6 1.8 0.7 volume=0.498 peak=219 ppm1=7.924 ppm2=3.372
assign ( resid 5 and name HN
)
( resid 5 and name HB1
or resid 5 and name HB2
) 3.9 2.1 0.8 volume=0.317 peak=363 ppm1=8.543 ppm2=1.704
assign ( resid 8 and name HN
)
( resid 8 and name HA
) 3.4 1.6 0.7 volume=0.702 peak=345 ppm1=8.935 ppm2=4.236
assign ( resid 18 and name HA
)
( resid 22 and name HN
) 5.2 3.4 0.8 volume=0.055 peak=699 ppm1=3.885 ppm2=7.366
assign ( resid 11 and name HN
)
( resid 10 and name HA1
) 4.0 2.2 0.8 volume=0.261 peak=242 ppm1=7.926 ppm2=3.739
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 13 and name HB2
) 4.1 2.3 0.8 volume=0.472 peak=12 ppm1=7.018 ppm2=2.559
assign ( resid 13 and name HN
)
( resid 13 and name HA
) 3.6 1.8 0.7 volume=0.469 peak=304 ppm1=8.389 ppm2=4.599
assign ( resid 16 and name HB1
or resid 16 and name HB2
)
( resid 16 and name HA
) 4.8 3.0 1.0 volume=0.091 peak=580 ppm1=1.874 ppm2=3.534
assign ( resid 20 and name HA
)
( resid 23 and name HB2
) 4.1 2.3 0.8 volume=0.219 peak=644 ppm1=3.921 ppm2=1.918
assign ( resid 21 and name HN
)
( resid 21 and name HG2
or resid 21 and name HG1
) 3.4 1.6 0.7 volume=0.673 peak=339 ppm1=8.065 ppm2=1.505
assign ( resid 8 and name HN
)
( resid 7 and name HB1
) 3.9 2.1 0.8 volume=0.323 peak=368 ppm1=8.933 ppm2=2.324
assign ( resid 20 and name HG1
or resid 20 and name HG2
)
( resid 20 and name HB2
) 3.6 1.8 0.7 volume=0.473 peak=491 ppm1=2.042 ppm2=2.540
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 18 and name HB1
or resid 18 and name HB2
) 5.1 3.3 0.9 volume=0.129 peak=70 ppm1=7.029 ppm2=3.810
assign ( resid 25 and name HN
)
( resid 22 and name HA
) 4.7 2.9 0.9 volume=0.100 peak=349 ppm1=7.552 ppm2=4.167
assign ( resid 8 and name HN
)
( resid 7 and name HB2
) 4.0 2.2 0.8 volume=0.275 peak=338 ppm1=8.933 ppm2=1.892
assign ( resid 15 and name HN
)
( resid 13 and name HB1
) 3.4 1.6 0.7 volume=0.722 peak=329 ppm1=7.442 ppm2=3.286
assign ( resid 26 and name HE1
)
( resid 8 and name HD1 or resid 8 and name HD2
) 6.0 4.2 0.0 volume=0.044 peak=131 ppm1=7.924 ppm2=6.689
assign ( resid 8 and name HA
)
( resid 8 and name HN
) 5.7 3.9 0.3 volume=0.032 peak=667 ppm1=4.229 ppm2=8.939
assign ( resid 20 and name HN
)
( resid 20 and name HA
) 2.7 0.9 0.5 volume=2.826 peak=256 ppm1=7.825 ppm2=3.940
assign ( resid 21 and name HA
)
( resid 24 and name HN
) 5.6 3.8 0.4 volume=0.036 peak=553 ppm1=3.905 ppm2=7.140
assign ( resid 23 and name HN
)
( resid 22 and name HN
) 4.0 2.2 0.8 volume=0.252 peak=352 ppm1=8.387 ppm2=7.394
assign ( resid 22 and name HD2
)
( resid 23 and name HD1#
) 5.3 3.5 0.7 volume=0.137 peak=94 ppm1=6.966 ppm2=1.144
assign ( resid 13 and name HZ
)
( resid 13 and name HD1 or resid 13 and name HD2
) 4.2 2.4 0.8 volume=0.393 peak=158 ppm1=5.870 ppm2=7.026
assign ( resid 6 and name HB2
)
( resid 9 and name HN
) 5.6 3.8 0.4 volume=0.034 peak=437 ppm1=3.347 ppm2=8.124
assign ( resid 20 and name HN
)
( resid 18 and name HA
) 2.7 0.9 0.5 volume=2.801 peak=333 ppm1=7.829 ppm2=3.872
assign ( resid 9 and name HN
)
( resid 10 and name HA1
) 3.8 2.0 0.8 volume=0.369 peak=231 ppm1=8.106 ppm2=3.740
assign ( resid 22 and name HB2
)
( resid 22 and name HD2
) 5.4 3.6 0.6 volume=0.041 peak=536 ppm1=2.858 ppm2=6.963
assign ( resid 23 and name HA
)
( resid 26 and name HD2
) 4.7 2.9 0.9 volume=0.098 peak=459 ppm1=3.787 ppm2=6.446
assign ( resid 6 and name HN
)
( resid 6 and name HB2
) 3.6 1.8 0.7 volume=0.480 peak=376 ppm1=9.122 ppm2=3.375
assign ( resid 23 and name HB2
)
( resid 23 and name HN
) 5.1 3.3 0.9 volume=0.059 peak=672 ppm1=1.895 ppm2=8.377
assign ( resid 22 and name HD2
)
( resid 22 and name HN
) 6.0 4.2 0.0 volume=0.022 peak=19 ppm1=6.969 ppm2=7.373
assign ( resid 26 and name HB1
)
( resid 26 and name HB2
) 4.7 2.9 0.9 volume=0.104 peak=596 ppm1=2.673 ppm2=2.476
assign ( resid 11 and name HB2
)
( resid 11 and name HB1
) 3.3 1.5 0.7 volume=0.864 peak=420 ppm1=1.186 ppm2=1.335
assign ( resid 23 and name HB2
)
( resid 23 and name HD2#
) 5.5 3.7 0.5 volume=0.119 peak=481 ppm1=1.902 ppm2=0.976
assign ( resid 11 and name HD2
)
( resid 11 and name HG2
) 4.1 2.3 0.8 volume=0.227 peak=625 ppm1=2.736 ppm2=1.662
assign ( resid 11 and name HA
)
( resid 12 and name HN
) 3.3 1.5 0.7 volume=0.814 peak=442 ppm1=3.933 ppm2=7.878
assign ( resid 8 and name HN
)
( resid 6 and name HN
) 4.3 2.5 0.9 volume=0.168 peak=274 ppm1=8.938 ppm2=9.102
assign ( resid 21 and name HA
)
( resid 22 and name HN
) 5.4 3.6 0.6 volume=0.042 peak=453 ppm1=3.901 ppm2=7.378
assign ( resid 11 and name HB2
)
( resid 11 and name HG1
) 4.0 2.2 0.8 volume=0.257 peak=502 ppm1=1.174 ppm2=1.692
assign ( resid 23 and name HB1
)
( resid 23 and name HD2#
) 5.7 3.9 0.3 volume=0.094 peak=464 ppm1=1.581 ppm2=0.975
assign ( resid 23 and name HA
)
( resid 26 and name HB1
) 5.6 3.8 0.4 volume=0.036 peak=715 ppm1=3.786 ppm2=2.649
assign ( resid 11 and name HG2
or resid 11 and name HG1
)
( resid 12 and name HN
) 4.4 2.6 0.9 volume=0.145 peak=677 ppm1=1.698 ppm2=7.857
assign ( resid 23 and name HD1#
)
( resid 22 and name HD2
) 6.0 4.2 0.0 volume=0.071 peak=563 ppm1=1.136 ppm2=6.954
assign ( resid 9 and name HB1
)
( resid 9 and name HB2
) 4.3 2.5 0.9 volume=0.167 peak=524 ppm1=3.334 ppm2=2.888
assign ( resid 15 and name HN
)
( resid 13 and name HB2
) 3.2 1.4 0.6 volume=1.012 peak=326 ppm1=7.440 ppm2=2.577
assign ( resid 22 and name HD2
)
( resid 23 and name HB1
) 6.0 4.2 0.0 volume=0.002 peak=198 ppm1=6.968 ppm2=1.597
assign ( resid 26 and name HD2
)
( resid 26 and name HB1
) 4.7 2.9 0.9 volume=0.101 peak=145 ppm1=6.444 ppm2=2.653
assign ( resid 6 and name HB2
)
( resid 11 and name HG2
or resid 11 and name HG1
) 5.7 3.9 0.3 volume=0.030 peak=404 ppm1=3.359 ppm2=1.691
assign ( resid 20 and name HA
)
( resid 20 and name HB1
) 4.5 2.7 0.9 volume=0.127 peak=584 ppm1=3.926 ppm2=2.508
assign ( resid 20 and name HA
)
( resid 23 and name HB1
) 3.4 1.6 0.7 volume=0.661 peak=507 ppm1=3.921 ppm2=1.611
assign ( resid 19 and name HG2
or resid 19 and name HG1
)
( resid 19 and name HB2
) 3.8 2.0 0.8 volume=0.333 peak=682 ppm1=1.000 ppm2=1.609
assign ( resid 10 and name HN
)
( resid 9 and name HB2
) 4.1 2.3 0.8 volume=0.242 peak=217 ppm1=7.984 ppm2=2.846
assign ( resid 12 and name HB2
or resid 12 and name HB1
)
( resid 13 and name HN
) 4.4 2.6 0.9 volume=0.155 peak=529 ppm1=3.478 ppm2=8.380
assign ( resid 20 and name HA
)
( resid 23 and name HD2#
) 5.1 3.3 0.9 volume=0.177 peak=711 ppm1=3.924 ppm2=0.983
assign ( resid 26 and name HN
)
( resid 26 and name HA
) 4.2 2.4 0.8 volume=0.204 peak=226 ppm1=7.081 ppm2=4.465
assign ( resid 24 and name HN
)
( resid 24 and name HA
) 3.6 1.8 0.7 volume=0.526 peak=271 ppm1=7.114 ppm2=3.998
assign ( resid 10 and name HA2
)
( resid 10 and name HN
) 4.2 2.4 0.8 volume=0.188 peak=589 ppm1=4.062 ppm2=8.011
assign ( resid 21 and name HN
)
( resid 21 and name HB2
or resid 21 and name HB1
) 2.9 1.1 0.6 volume=1.758 peak=372 ppm1=8.064 ppm2=1.629
assign ( resid 13 and name HN
)
( resid 12 and name HB2
or resid 12 and name HB1
) 3.4 1.6 0.7 volume=0.697 peak=309 ppm1=8.390 ppm2=3.480
assign ( resid 6 and name HN
)
( resid 5 and name HB1
or resid 5 and name HB2
) 4.1 2.3 0.8 volume=0.231 peak=371 ppm1=9.118 ppm2=1.714
assign ( resid 19 and name HN
)
( resid 18 and name HA
) 3.9 2.1 0.8 volume=0.315 peak=248 ppm1=6.763 ppm2=3.878
assign ( resid 13 and name HN
)
( resid 4 and name HN
) 4.0 2.2 0.8 volume=0.244 peak=284 ppm1=8.390 ppm2=7.935
assign ( resid 7 and name HA
)
( resid 8 and name HN
) 6.0 4.2 0.0 volume=0.020 peak=704 ppm1=4.223 ppm2=8.925
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 16 and name HA
) 5.1 3.3 0.9 volume=0.116 peak=133 ppm1=6.889 ppm2=3.553
assign ( resid 19 and name HN
)
( resid 19 and name HE2
or resid 19 and name HE1
) 4.6 2.8 0.9 volume=0.115 peak=393 ppm1=6.756 ppm2=2.770
assign ( resid 19 and name HN
)
( resid 13 and name HB1
) 4.6 2.8 0.9 volume=0.113 peak=285 ppm1=6.766 ppm2=3.254
assign ( resid 17 and name HA
)
( resid 17 and name HG2#
) 5.3 3.5 0.7 volume=0.142 peak=575 ppm1=3.753 ppm2=1.032
assign ( resid 6 and name HN
)
( resid 5 and name HG2
or resid 5 and name HG1
) 4.3 2.5 0.9 volume=0.177 peak=313 ppm1=9.125 ppm2=2.027
Contact the webmaster for help, if required. Thursday, May 23, 2024 1:35:11 PM GMT (wattos1)