NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
544510 |
2lvr   |
18586 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign ( resid 3 and name HD2
)
( resid 3 and name HA
) 3.7 1.9 0.7 volume=0.408 peak=1569 ppm1=3.598 ppm2=4.164
assign ( resid 29 and name HB1
)
( resid 29 and name HA
) 3.1 1.3 0.6 volume=1.101 peak=1037 ppm1=1.899 ppm2=4.035
assign ( resid 23 and name HA
)
( resid 26 and name HN
) 3.8 2.0 0.8 volume=0.379 peak=717 ppm1=3.505 ppm2=7.301
assign ( resid 9 and name HB2
)
( resid 26 and name HE1
) 2.9 1.1 0.6 volume=1.889 peak=961 ppm1=2.754 ppm2=7.925
assign ( resid 11 and name HB1
)
( resid 11 and name HA
) 3.5 1.7 0.7 volume=0.549 peak=911 ppm1=1.214 ppm2=3.920
assign ( resid 5 and name HN
)
( resid 4 and name HD1 or resid 4 and name HD2
) 4.4 2.6 0.9 volume=0.156 peak=409 ppm1=8.421 ppm2=6.892
assign ( resid 29 and name HG1
)
( resid 29 and name HA
) 3.6 1.8 0.7 volume=0.494 peak=1568 ppm1=2.177 ppm2=4.045
assign ( resid 16 and name HD1
)
( resid 17 and name HN
) 4.8 3.0 1.0 volume=0.092 peak=1043 ppm1=3.080 ppm2=8.252
assign ( resid 15 and name HB2
)
( resid 15 and name HN
) 3.8 2.0 0.8 volume=0.352 peak=1584 ppm1=2.573 ppm2=7.359
assign ( resid 20 and name HB2
or resid 20 and name HB1
)
( resid 21 and name HN
) 3.4 1.6 0.7 volume=0.688 peak=734 ppm1=2.023 ppm2=7.735
assign ( resid 25 and name HG12
or resid 25 and name HG11
)
( resid 25 and name HG2#
) 2.4 0.6 0.5 volume=5.837 peak=969 ppm1=0.769 ppm2=0.453
assign ( resid 15 and name HB1
)
( resid 15 and name HN
) 4.0 2.2 0.8 volume=0.246 peak=919 ppm1=2.698 ppm2=7.359
assign ( resid 3 and name HA
)
( resid 3 and name HB1
) 3.2 1.4 0.6 volume=1.036 peak=701 ppm1=4.197 ppm2=1.224
assign ( resid 20 and name HB2
or resid 20 and name HB1
)
( resid 20 and name HN
) 3.2 1.4 0.6 volume=0.928 peak=1049 ppm1=2.054 ppm2=7.936
assign ( resid 11 and name HB1
)
( resid 11 and name HB2
) 2.4 0.6 0.5 volume=5.005 peak=1356 ppm1=1.213 ppm2=1.368
assign ( resid 17 and name HA1
or resid 17 and name HA2
)
( resid 17 and name HN
) 2.9 1.1 0.6 volume=1.844 peak=1651 ppm1=3.676 ppm2=8.248
assign ( resid 8 and name HA
)
( resid 8 and name HB2
) 3.9 2.1 0.8 volume=0.326 peak=768 ppm1=4.249 ppm2=1.800
assign ( resid 22 and name HN
)
( resid 23 and name HN
) 3.1 1.3 0.6 volume=1.191 peak=230 ppm1=7.370 ppm2=8.270
assign ( resid 10 and name HB2
)
( resid 10 and name HG2
or resid 10 and name HG1
) 2.2 0.4 0.4 volume=8.324 peak=1282 ppm1=2.192 ppm2=2.120
assign ( resid 5 and name HN
)
( resid 5 and name HG1#
) 2.9 1.1 0.6 volume=1.974 peak=288 ppm1=8.424 ppm2=0.648
assign ( resid 30 and name HN
)
( resid 29 and name HG2
) 3.9 2.1 0.8 volume=0.308 peak=410 ppm1=8.076 ppm2=2.110
assign ( resid 3 and name HB1
)
( resid 3 and name HD2
) 3.8 2.0 0.8 volume=0.386 peak=1419 ppm1=1.231 ppm2=3.593
assign ( resid 4 and name HN
)
( resid 4 and name HA
) 3.2 1.4 0.6 volume=0.919 peak=475 ppm1=7.725 ppm2=4.476
assign ( resid 8 and name HN
)
( resid 8 and name HB1
) 3.4 1.6 0.7 volume=0.655 peak=193 ppm1=8.500 ppm2=2.213
assign ( resid 20 and name HA
)
( resid 22 and name HN
) 3.0 1.2 0.6 volume=1.358 peak=1400 ppm1=3.817 ppm2=7.362
assign ( resid 22 and name HB2
)
( resid 23 and name HN
) 3.4 1.6 0.7 volume=0.714 peak=882 ppm1=2.721 ppm2=8.280
assign ( resid 19 and name HB2
)
( resid 16 and name HA
) 4.0 2.2 0.8 volume=0.280 peak=1514 ppm1=1.042 ppm2=3.439
assign ( resid 11 and name HN
)
( resid 11 and name HB2
) 3.0 1.2 0.6 volume=1.494 peak=539 ppm1=7.838 ppm2=1.366
assign ( resid 23 and name HA
)
( resid 26 and name HB2
) 4.0 2.2 0.8 volume=0.275 peak=1635 ppm1=3.505 ppm2=2.605
assign ( resid 12 and name HB1
)
( resid 13 and name HN
) 4.0 2.2 0.8 volume=0.269 peak=1507 ppm1=1.761 ppm2=8.894
assign ( resid 19 and name HN
)
( resid 19 and name HA
) 3.1 1.3 0.6 volume=1.208 peak=197 ppm1=6.805 ppm2=2.992
assign ( resid 20 and name HA
)
( resid 19 and name HN
) 3.8 2.0 0.8 volume=0.331 peak=814 ppm1=3.806 ppm2=6.775
assign ( resid 7 and name HN
)
( resid 7 and name HD1#
) 2.9 1.1 0.6 volume=1.709 peak=296 ppm1=8.662 ppm2=0.587
assign ( resid 7 and name HN
)
( resid 6 and name HA
) 2.9 1.1 0.6 volume=1.823 peak=589 ppm1=8.660 ppm2=4.493
assign ( resid 21 and name HG1
or resid 21 and name HG2
)
( resid 21 and name HD1
) 3.3 1.5 0.7 volume=0.849 peak=1267 ppm1=1.358 ppm2=3.147
assign ( resid 8 and name HN
)
( resid 7 and name HA
) 3.9 2.1 0.8 volume=0.296 peak=269 ppm1=8.498 ppm2=3.907
assign ( resid 20 and name HN
)
( resid 19 and name HN
) 3.5 1.7 0.7 volume=0.629 peak=113 ppm1=7.935 ppm2=6.802
assign ( resid 19 and name HN
)
( resid 18 and name HB#
) 2.9 1.1 0.6 volume=1.651 peak=206 ppm1=6.803 ppm2=1.462
assign ( resid 29 and name HN
)
( resid 27 and name HA
) 3.5 1.7 0.7 volume=0.623 peak=180 ppm1=7.884 ppm2=4.121
assign ( resid 4 and name HN
)
( resid 3 and name HG1
) 3.6 1.8 0.7 volume=0.482 peak=103 ppm1=7.728 ppm2=1.691
assign ( resid 22 and name HN
)
( resid 22 and name HB1
) 2.7 0.9 0.5 volume=2.746 peak=417 ppm1=7.368 ppm2=2.868
assign ( resid 6 and name HB1
)
( resid 10 and name HN
) 3.2 1.4 0.6 volume=1.034 peak=1323 ppm1=3.294 ppm2=8.191
assign ( resid 11 and name HB2
)
( resid 6 and name HB1
) 4.6 2.8 0.9 volume=0.120 peak=1120 ppm1=1.385 ppm2=3.259
assign ( resid 9 and name HB2
)
( resid 9 and name HA
) 3.3 1.5 0.7 volume=0.815 peak=1432 ppm1=2.753 ppm2=5.039
assign ( resid 4 and name HN
)
( resid 3 and name HA
) 3.0 1.2 0.6 volume=1.364 peak=211 ppm1=7.729 ppm2=4.172
assign ( resid 9 and name HB1
)
( resid 9 and name HB2
) 2.3 0.5 0.5 volume=8.139 peak=1565 ppm1=3.361 ppm2=2.744
assign ( resid 23 and name HN
)
( resid 22 and name HN
) 3.8 2.0 0.8 volume=0.344 peak=179 ppm1=8.262 ppm2=7.367
assign ( resid 27 and name HB
)
( resid 27 and name HN
) 4.0 2.2 0.8 volume=0.275 peak=859 ppm1=4.164 ppm2=7.551
assign ( resid 24 and name HN
)
( resid 24 and name HG1
) 2.7 0.9 0.5 volume=2.913 peak=430 ppm1=6.762 ppm2=1.655
assign ( resid 22 and name HA
)
( resid 25 and name HG2#
) 3.6 1.8 0.7 volume=0.527 peak=750 ppm1=4.139 ppm2=0.455
assign ( resid 22 and name HN
)
( resid 21 and name HB2
) 2.8 1.0 0.6 volume=2.462 peak=590 ppm1=7.371 ppm2=1.664
assign ( resid 25 and name HN
)
( resid 25 and name HG12
or resid 25 and name HG11
) 3.6 1.8 0.7 volume=0.484 peak=607 ppm1=7.682 ppm2=0.727
assign ( resid 17 and name HA1
or resid 17 and name HA2
)
( resid 20 and name HG1
) 3.9 2.1 0.8 volume=0.317 peak=1522 ppm1=3.655 ppm2=2.210
assign ( resid 26 and name HB2
)
( resid 27 and name HN
) 4.6 2.8 0.9 volume=0.110 peak=942 ppm1=2.613 ppm2=7.565
assign ( resid 11 and name HB1
)
( resid 6 and name HB2
) 3.8 2.0 0.8 volume=0.386 peak=1591 ppm1=1.212 ppm2=2.740
assign ( resid 12 and name HG2
)
( resid 12 and name HE21
) 4.1 2.3 0.8 volume=0.236 peak=722 ppm1=2.042 ppm2=7.486
assign ( resid 20 and name HG2
)
( resid 20 and name HA
) 3.6 1.8 0.7 volume=0.480 peak=1082 ppm1=2.290 ppm2=3.791
assign ( resid 7 and name HA
)
( resid 7 and name HN
) 3.3 1.5 0.7 volume=0.883 peak=998 ppm1=3.937 ppm2=8.669
assign ( resid 18 and name HN
)
( resid 17 and name HA1
or resid 17 and name HA2
) 3.1 1.3 0.6 volume=1.109 peak=498 ppm1=8.034 ppm2=3.625
assign ( resid 26 and name HE1
)
( resid 9 and name HB2
) 3.1 1.3 0.6 volume=1.218 peak=70 ppm1=7.931 ppm2=2.746
assign ( resid 24 and name HN
)
( resid 24 and name HA
) 3.3 1.5 0.7 volume=0.901 peak=611 ppm1=6.759 ppm2=3.970
assign ( resid 8 and name HN
)
( resid 8 and name HB2
) 3.2 1.4 0.6 volume=0.954 peak=304 ppm1=8.498 ppm2=1.808
assign ( resid 21 and name HG1
or resid 21 and name HG2
)
( resid 21 and name HN
) 3.4 1.6 0.7 volume=0.737 peak=1413 ppm1=1.364 ppm2=7.736
assign ( resid 25 and name HG2#
)
( resid 25 and name HN
) 3.1 1.3 0.6 volume=1.294 peak=1294 ppm1=0.454 ppm2=7.690
assign ( resid 9 and name HA
)
( resid 9 and name HN
) 3.3 1.5 0.7 volume=0.869 peak=841 ppm1=5.067 ppm2=7.941
assign ( resid 14 and name HB#
)
( resid 15 and name HN
) 3.5 1.7 0.7 volume=0.558 peak=838 ppm1=1.449 ppm2=7.352
assign ( resid 3 and name HG1
)
( resid 3 and name HA
) 4.1 2.3 0.8 volume=0.227 peak=756 ppm1=1.737 ppm2=4.167
assign ( resid 5 and name HN
)
( resid 5 and name HB
) 3.0 1.2 0.6 volume=1.455 peak=458 ppm1=8.423 ppm2=1.687
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 18 and name HB#
) 3.3 1.5 0.7 volume=0.771 peak=39 ppm1=7.033 ppm2=1.500
assign ( resid 25 and name HA
)
( resid 25 and name HB
) 2.7 0.9 0.5 volume=2.501 peak=793 ppm1=3.855 ppm2=1.568
assign ( resid 4 and name HN
)
( resid 4 and name HB1
) 3.0 1.2 0.6 volume=1.500 peak=370 ppm1=7.728 ppm2=2.859
assign ( resid 3 and name HG2
)
( resid 3 and name HD2
) 3.2 1.4 0.6 volume=1.067 peak=1676 ppm1=1.554 ppm2=3.588
assign ( resid 11 and name HB1
)
( resid 11 and name HG2
or resid 11 and name HG1
) 3.3 1.5 0.7 volume=0.901 peak=682 ppm1=1.211 ppm2=1.710
assign ( resid 10 and name HB2
)
( resid 10 and name HN
) 4.1 2.3 0.8 volume=0.229 peak=1551 ppm1=2.191 ppm2=8.194
assign ( resid 13 and name HB2
)
( resid 13 and name HD1 or resid 13 and name HD2
) 3.4 1.6 0.7 volume=0.757 peak=846 ppm1=2.579 ppm2=7.031
assign ( resid 25 and name HA
)
( resid 25 and name HG2#
) 2.7 0.9 0.5 volume=2.610 peak=1299 ppm1=3.855 ppm2=0.449
assign ( resid 24 and name HN
)
( resid 24 and name HG2
) 2.7 0.9 0.5 volume=2.541 peak=476 ppm1=6.761 ppm2=1.552
assign ( resid 26 and name HD2
)
( resid 22 and name HD2
) 3.5 1.7 0.7 volume=0.581 peak=81 ppm1=6.572 ppm2=6.850
assign ( resid 12 and name HN
)
( resid 13 and name HN
) 4.1 2.3 0.8 volume=0.222 peak=520 ppm1=7.856 ppm2=8.866
assign ( resid 11 and name HN
)
( resid 6 and name HB1
) 3.2 1.4 0.6 volume=1.007 peak=387 ppm1=7.838 ppm2=3.258
assign ( resid 15 and name HB1
)
( resid 18 and name HB#
) 3.7 1.9 0.7 volume=0.428 peak=1684 ppm1=2.697 ppm2=1.493
assign ( resid 12 and name HG1
)
( resid 12 and name HB2
) 2.7 0.9 0.5 volume=2.504 peak=686 ppm1=2.263 ppm2=1.621
assign ( resid 3 and name HG1
)
( resid 3 and name HB1
) 3.3 1.5 0.7 volume=0.855 peak=855 ppm1=1.744 ppm2=1.235
assign ( resid 25 and name HB
)
( resid 25 and name HG2#
) 2.6 0.8 0.5 volume=3.242 peak=1459 ppm1=1.594 ppm2=0.461
assign ( resid 12 and name HB2
)
( resid 13 and name HN
) 4.1 2.3 0.8 volume=0.240 peak=923 ppm1=1.636 ppm2=8.896
assign ( resid 17 and name HA1
or resid 17 and name HA2
)
( resid 20 and name HB1
) 3.2 1.4 0.6 volume=1.092 peak=1352 ppm1=3.654 ppm2=2.010
assign ( resid 22 and name HB1
)
( resid 22 and name HN
) 2.9 1.1 0.6 volume=1.656 peak=1469 ppm1=2.918 ppm2=7.371
assign ( resid 22 and name HN
)
( resid 21 and name HA
) 3.2 1.4 0.6 volume=1.099 peak=487 ppm1=7.369 ppm2=3.804
assign ( resid 9 and name HN
)
( resid 8 and name HA
) 4.2 2.4 0.8 volume=0.195 peak=629 ppm1=7.946 ppm2=4.228
assign ( resid 8 and name HN
)
( resid 8 and name HA
) 3.3 1.5 0.7 volume=0.784 peak=227 ppm1=8.509 ppm2=4.213
assign ( resid 18 and name HB#
)
( resid 13 and name HB1
) 3.2 1.4 0.6 volume=0.977 peak=810 ppm1=1.505 ppm2=3.115
assign ( resid 26 and name HN
)
( resid 25 and name HA
) 3.5 1.7 0.7 volume=0.616 peak=391 ppm1=7.276 ppm2=3.824
assign ( resid 16 and name HD1
)
( resid 15 and name HB1
) 3.4 1.6 0.7 volume=0.642 peak=1421 ppm1=3.081 ppm2=2.658
assign ( resid 14 and name HA
)
( resid 14 and name HB#
) 3.4 1.6 0.7 volume=0.750 peak=1583 ppm1=4.443 ppm2=1.430
assign ( resid 19 and name HN
)
( resid 19 and name HB2
) 3.0 1.2 0.6 volume=1.559 peak=285 ppm1=6.804 ppm2=1.026
assign ( resid 6 and name HN
)
( resid 5 and name HG1#
or resid 5 and name HG2#
) 3.0 1.2 0.6 volume=1.509 peak=449 ppm1=9.002 ppm2=0.648
assign ( resid 6 and name HB2
)
( resid 10 and name HN
) 3.6 1.8 0.7 volume=0.533 peak=1140 ppm1=2.744 ppm2=8.200
assign ( resid 6 and name HN
)
( resid 5 and name HB
) 3.8 2.0 0.8 volume=0.361 peak=639 ppm1=8.999 ppm2=1.688
assign ( resid 13 and name HN
)
( resid 5 and name HG1#
) 4.0 2.2 0.8 volume=0.259 peak=239 ppm1=8.887 ppm2=0.648
assign ( resid 19 and name HN
)
( resid 17 and name HA1
or resid 17 and name HA2
) 3.8 2.0 0.8 volume=0.383 peak=534 ppm1=6.802 ppm2=3.647
assign ( resid 10 and name HE22
)
( resid 10 and name HE21
) 2.3 0.5 0.5 volume=6.720 peak=401 ppm1=6.361 ppm2=7.092
assign ( resid 6 and name HB2
)
( resid 6 and name HN
) 3.1 1.3 0.6 volume=1.143 peak=931 ppm1=2.744 ppm2=9.000
assign ( resid 22 and name HN
)
( resid 22 and name HA
) 3.0 1.2 0.6 volume=1.404 peak=546 ppm1=7.368 ppm2=4.107
assign ( resid 28 and name HA2
)
( resid 29 and name HN
) 3.3 1.5 0.7 volume=0.805 peak=1600 ppm1=3.884 ppm2=7.886
assign ( resid 7 and name HN
)
( resid 7 and name HA
) 3.5 1.7 0.7 volume=0.636 peak=308 ppm1=8.660 ppm2=3.901
assign ( resid 22 and name HD2
)
( resid 23 and name HA
) 3.5 1.7 0.7 volume=0.610 peak=9 ppm1=6.859 ppm2=3.485
assign ( resid 13 and name HN
)
( resid 12 and name HA
) 2.7 0.9 0.5 volume=2.677 peak=620 ppm1=8.889 ppm2=4.821
assign ( resid 8 and name HN
)
( resid 7 and name HG2#
) 3.5 1.7 0.7 volume=0.619 peak=270 ppm1=8.495 ppm2=0.650
assign ( resid 22 and name HA
)
( resid 22 and name HB1
) 3.1 1.3 0.6 volume=1.269 peak=1161 ppm1=4.147 ppm2=2.915
assign ( resid 22 and name HB1
)
( resid 22 and name HB2
) 2.2 0.4 0.4 volume=8.959 peak=1226 ppm1=2.914 ppm2=2.728
assign ( resid 8 and name HB2
)
( resid 8 and name HN
) 3.6 1.8 0.7 volume=0.529 peak=1379 ppm1=1.806 ppm2=8.518
assign ( resid 5 and name HN
)
( resid 4 and name HB1
) 3.6 1.8 0.7 volume=0.480 peak=141 ppm1=8.423 ppm2=2.862
assign ( resid 7 and name HA
)
( resid 10 and name HG2
or resid 10 and name HG1
) 3.8 2.0 0.8 volume=0.382 peak=1492 ppm1=3.948 ppm2=2.124
assign ( resid 4 and name HN
)
( resid 3 and name HB1
) 3.4 1.6 0.7 volume=0.689 peak=551 ppm1=7.725 ppm2=1.230
assign ( resid 19 and name HA
)
( resid 19 and name HB1
) 3.5 1.7 0.7 volume=0.596 peak=1614 ppm1=3.026 ppm2=1.722
assign ( resid 21 and name HN
)
( resid 21 and name HA
) 2.8 1.0 0.6 volume=2.464 peak=319 ppm1=7.723 ppm2=3.827
assign ( resid 25 and name HD1#
)
( resid 25 and name HA
) 3.6 1.8 0.7 volume=0.526 peak=1333 ppm1=0.547 ppm2=3.832
assign ( resid 21 and name HN
)
( resid 20 and name HB1
) 3.0 1.2 0.6 volume=1.590 peak=232 ppm1=7.724 ppm2=2.017
assign ( resid 20 and name HB2
or resid 20 and name HB1
)
( resid 21 and name HN
) 3.6 1.8 0.7 volume=0.476 peak=1178 ppm1=2.052 ppm2=7.734
assign ( resid 12 and name HB2
)
( resid 5 and name HG1#
) 3.9 2.1 0.8 volume=0.307 peak=1242 ppm1=1.641 ppm2=0.636
assign ( resid 25 and name HA
)
( resid 24 and name HN
) 4.6 2.8 0.9 volume=0.111 peak=1397 ppm1=3.865 ppm2=6.729
assign ( resid 20 and name HN
)
( resid 21 and name HN
) 3.1 1.3 0.6 volume=1.269 peak=166 ppm1=7.923 ppm2=7.735
assign ( resid 3 and name HA
)
( resid 3 and name HB2
) 3.0 1.2 0.6 volume=1.605 peak=1295 ppm1=4.197 ppm2=1.884
assign ( resid 12 and name HN
)
( resid 11 and name HA
) 2.5 0.7 0.5 volume=4.055 peak=557 ppm1=7.858 ppm2=3.910
assign ( resid 4 and name HB2
)
( resid 4 and name HD1 or resid 4 and name HD2
) 3.1 1.3 0.6 volume=1.326 peak=778 ppm1=2.741 ppm2=6.890
assign ( resid 13 and name HN
)
( resid 4 and name HB2
) 3.5 1.7 0.7 volume=0.559 peak=326 ppm1=8.885 ppm2=2.746
assign ( resid 9 and name HB2
)
( resid 9 and name HN
) 2.9 1.1 0.6 volume=1.889 peak=1346 ppm1=2.753 ppm2=7.943
assign ( resid 13 and name HN
)
( resid 13 and name HB1
) 3.6 1.8 0.7 volume=0.534 peak=608 ppm1=8.889 ppm2=3.119
assign ( resid 10 and name HB2
)
( resid 10 and name HB1
) 2.3 0.5 0.5 volume=6.660 peak=1198 ppm1=2.191 ppm2=2.335
assign ( resid 10 and name HG2
or resid 10 and name HG1
)
( resid 10 and name HN
) 3.7 1.9 0.7 volume=0.445 peak=707 ppm1=2.117 ppm2=8.196
assign ( resid 20 and name HN
)
( resid 20 and name HB1
) 2.9 1.1 0.6 volume=1.718 peak=178 ppm1=7.927 ppm2=2.018
assign ( resid 6 and name HB2
)
( resid 6 and name HB1
) 2.4 0.6 0.5 volume=5.426 peak=1315 ppm1=2.750 ppm2=3.286
assign ( resid 19 and name HN
)
( resid 19 and name HB1
) 2.8 1.0 0.6 volume=2.457 peak=377 ppm1=6.803 ppm2=1.697
assign ( resid 27 and name HN
)
( resid 26 and name HN
) 3.7 1.9 0.7 volume=0.399 peak=587 ppm1=7.536 ppm2=7.291
assign ( resid 6 and name HN
)
( resid 6 and name HB1
) 2.9 1.1 0.6 volume=1.666 peak=343 ppm1=9.001 ppm2=3.257
assign ( resid 19 and name HB1
)
( resid 19 and name HB2
) 2.6 0.8 0.5 volume=3.237 peak=1366 ppm1=1.741 ppm2=1.036
assign ( resid 12 and name HB1
)
( resid 5 and name HG1#
) 4.1 2.3 0.8 volume=0.212 peak=804 ppm1=1.766 ppm2=0.649
assign ( resid 19 and name HN
)
( resid 20 and name HB1
) 4.1 2.3 0.8 volume=0.213 peak=653 ppm1=6.804 ppm2=2.015
assign ( resid 22 and name HB1
)
( resid 23 and name HN
) 3.6 1.8 0.7 volume=0.481 peak=1534 ppm1=2.916 ppm2=8.280
assign ( resid 6 and name HB1
)
( resid 9 and name HN
) 2.9 1.1 0.6 volume=1.690 peak=864 ppm1=3.293 ppm2=7.936
assign ( resid 18 and name HB#
)
( resid 15 and name HN
) 3.4 1.6 0.7 volume=0.693 peak=1029 ppm1=1.503 ppm2=7.354
assign ( resid 9 and name HB1
)
( resid 9 and name HA
) 3.0 1.2 0.6 volume=1.462 peak=716 ppm1=3.359 ppm2=5.040
assign ( resid 15 and name HB2
)
( resid 14 and name HB#
) 3.2 1.4 0.6 volume=0.994 peak=960 ppm1=2.578 ppm2=1.434
assign ( resid 22 and name HN
)
( resid 23 and name HG1#
) 3.4 1.6 0.7 volume=0.711 peak=504 ppm1=7.373 ppm2=1.219
assign ( resid 7 and name HN
)
( resid 7 and name HG12
or resid 7 and name HG11
) 3.3 1.5 0.7 volume=0.877 peak=595 ppm1=8.664 ppm2=0.962
assign ( resid 23 and name HA
)
( resid 23 and name HB
) 3.1 1.3 0.6 volume=1.242 peak=755 ppm1=3.506 ppm2=2.219
assign ( resid 16 and name HD2
)
( resid 15 and name HB1
) 3.1 1.3 0.6 volume=1.288 peak=1325 ppm1=3.654 ppm2=2.663
assign ( resid 24 and name HG1
)
( resid 24 and name HD2
) 3.1 1.3 0.6 volume=1.108 peak=1040 ppm1=1.658 ppm2=3.056
assign ( resid 3 and name HB1
)
( resid 4 and name HN
) 4.0 2.2 0.8 volume=0.271 peak=1649 ppm1=1.230 ppm2=7.736
assign ( resid 10 and name HB1
)
( resid 10 and name HA
) 3.5 1.7 0.7 volume=0.602 peak=967 ppm1=2.334 ppm2=3.872
assign ( resid 21 and name HN
)
( resid 17 and name HA1
or resid 17 and name HA2
) 3.4 1.6 0.7 volume=0.645 peak=105 ppm1=7.726 ppm2=3.640
assign ( resid 13 and name HB2
)
( resid 13 and name HN
) 3.9 2.1 0.8 volume=0.308 peak=1280 ppm1=2.577 ppm2=8.895
assign ( resid 8 and name HA
)
( resid 8 and name HB1
) 3.2 1.4 0.6 volume=0.930 peak=918 ppm1=4.248 ppm2=2.213
assign ( resid 3 and name HD1
)
( resid 3 and name HB1
) 3.5 1.7 0.7 volume=0.593 peak=1211 ppm1=3.682 ppm2=1.231
assign ( resid 19 and name HB2
)
( resid 19 and name HB1
) 2.7 0.9 0.5 volume=2.571 peak=1046 ppm1=1.040 ppm2=1.739
assign ( resid 7 and name HD1#
)
( resid 7 and name HN
) 3.9 2.1 0.8 volume=0.289 peak=1504 ppm1=0.599 ppm2=8.661
assign ( resid 4 and name HB1
)
( resid 4 and name HD1 or resid 4 and name HD2
) 3.0 1.2 0.6 volume=1.367 peak=981 ppm1=2.863 ppm2=6.885
assign ( resid 26 and name HD2
)
( resid 8 and name HB2
) 3.8 2.0 0.8 volume=0.343 peak=59 ppm1=6.565 ppm2=1.803
assign ( resid 3 and name HG2
)
( resid 3 and name HA
) 4.0 2.2 0.8 volume=0.246 peak=705 ppm1=1.548 ppm2=4.168
assign ( resid 23 and name HA
)
( resid 23 and name HN
) 3.4 1.6 0.7 volume=0.674 peak=1253 ppm1=3.509 ppm2=8.272
assign ( resid 3 and name HA
)
( resid 13 and name HN
) 5.5 3.7 0.5 volume=0.038 peak=941 ppm1=4.197 ppm2=8.859
assign ( resid 6 and name HA
)
( resid 7 and name HN
) 4.1 2.3 0.8 volume=0.221 peak=1079 ppm1=4.517 ppm2=8.666
assign ( resid 3 and name HD1
)
( resid 3 and name HA
) 3.7 1.9 0.7 volume=0.444 peak=881 ppm1=3.684 ppm2=4.163
assign ( resid 20 and name HN
)
( resid 20 and name HA
) 3.3 1.5 0.7 volume=0.783 peak=578 ppm1=7.932 ppm2=3.773
assign ( resid 20 and name HB2
or resid 20 and name HB1
)
( resid 20 and name HA
) 3.1 1.3 0.6 volume=1.240 peak=775 ppm1=2.024 ppm2=3.775
assign ( resid 21 and name HN
)
( resid 22 and name HN
) 3.0 1.2 0.6 volume=1.561 peak=196 ppm1=7.725 ppm2=7.361
assign ( resid 23 and name HA
)
( resid 25 and name HN
) 4.0 2.2 0.8 volume=0.258 peak=816 ppm1=3.509 ppm2=7.682
assign ( resid 24 and name HG1
)
( resid 24 and name HA
) 3.6 1.8 0.7 volume=0.465 peak=1320 ppm1=1.661 ppm2=3.971
assign ( resid 18 and name HB#
)
( resid 13 and name HB2
) 3.2 1.4 0.6 volume=0.957 peak=1375 ppm1=1.503 ppm2=2.555
assign ( resid 22 and name HB2
)
( resid 22 and name HA
) 3.2 1.4 0.6 volume=1.086 peak=1627 ppm1=2.720 ppm2=4.107
assign ( resid 20 and name HB2
or resid 20 and name HB1
)
( resid 20 and name HA
) 3.3 1.5 0.7 volume=0.879 peak=1250 ppm1=2.055 ppm2=3.772
assign ( resid 26 and name HB2
)
( resid 27 and name HG2#
) 4.4 2.6 0.9 volume=0.145 peak=1097 ppm1=2.627 ppm2=1.071
assign ( resid 10 and name HA
)
( resid 10 and name HG2
or resid 10 and name HG1
) 2.8 1.0 0.6 volume=2.454 peak=1430 ppm1=3.900 ppm2=2.129
assign ( resid 12 and name HN
)
( resid 12 and name HA
) 3.5 1.7 0.7 volume=0.612 peak=204 ppm1=7.859 ppm2=4.821
assign ( resid 14 and name HN
)
( resid 14 and name HB#
) 3.8 2.0 0.8 volume=0.349 peak=271 ppm1=8.957 ppm2=1.427
assign ( resid 20 and name HB2
or resid 20 and name HB1
)
( resid 20 and name HN
) 3.1 1.3 0.6 volume=1.224 peak=1412 ppm1=2.024 ppm2=7.938
assign ( resid 12 and name HA
)
( resid 5 and name HG1#
) 4.5 2.7 0.9 volume=0.125 peak=1562 ppm1=4.866 ppm2=0.635
assign ( resid 9 and name HN
)
( resid 9 and name HA
) 3.6 1.8 0.7 volume=0.477 peak=492 ppm1=7.943 ppm2=5.020
assign ( resid 28 and name HN
)
( resid 28 and name HA2
or resid 28 and name HA1
) 3.6 1.8 0.7 volume=0.520 peak=414 ppm1=8.108 ppm2=3.806
assign ( resid 8 and name HB2
)
( resid 8 and name HA
) 3.9 2.1 0.8 volume=0.315 peak=1434 ppm1=1.803 ppm2=4.202
assign ( resid 4 and name HB2
)
( resid 13 and name HN
) 4.1 2.3 0.8 volume=0.215 peak=1625 ppm1=2.740 ppm2=8.856
assign ( resid 25 and name HN
)
( resid 25 and name HG2#
) 3.0 1.2 0.6 volume=1.476 peak=357 ppm1=7.676 ppm2=0.437
assign ( resid 12 and name HG2
)
( resid 12 and name HE22
) 4.2 2.4 0.8 volume=0.183 peak=1111 ppm1=2.028 ppm2=6.652
assign ( resid 22 and name HD2
)
( resid 6 and name HB1
) 3.8 2.0 0.8 volume=0.352 peak=57 ppm1=6.853 ppm2=3.280
assign ( resid 6 and name HN
)
( resid 5 and name HA
) 2.7 0.9 0.5 volume=2.858 peak=210 ppm1=9.003 ppm2=4.622
assign ( resid 3 and name HB1
)
( resid 3 and name HB2
) 2.5 0.7 0.5 volume=4.445 peak=1410 ppm1=1.229 ppm2=1.886
assign ( resid 12 and name HG1
)
( resid 12 and name HE22
) 3.2 1.4 0.6 volume=0.949 peak=1372 ppm1=2.269 ppm2=6.649
assign ( resid 5 and name HB
)
( resid 13 and name HN
) 4.0 2.2 0.8 volume=0.261 peak=746 ppm1=1.717 ppm2=8.887
assign ( resid 26 and name HD2
)
( resid 26 and name HN
) 3.7 1.9 0.7 volume=0.399 peak=3 ppm1=6.569 ppm2=7.292
assign ( resid 4 and name HB1
)
( resid 13 and name HN
) 4.2 2.4 0.8 volume=0.187 peak=1520 ppm1=2.867 ppm2=8.856
assign ( resid 29 and name HN
)
( resid 29 and name HA
) 3.0 1.2 0.6 volume=1.472 peak=198 ppm1=7.882 ppm2=4.010
assign ( resid 6 and name HA
)
( resid 19 and name HD2#
) 3.7 1.9 0.7 volume=0.394 peak=1414 ppm1=4.488 ppm2=0.867
assign ( resid 11 and name HB2
)
( resid 11 and name HN
) 3.2 1.4 0.6 volume=0.987 peak=1293 ppm1=1.379 ppm2=7.854
assign ( resid 23 and name HB
)
( resid 23 and name HN
) 3.4 1.6 0.7 volume=0.693 peak=887 ppm1=2.249 ppm2=8.282
assign ( resid 6 and name HB2
)
( resid 22 and name HD2
) 3.1 1.3 0.6 volume=1.224 peak=1311 ppm1=2.758 ppm2=6.850
assign ( resid 20 and name HB2
or resid 20 and name HB1
)
( resid 17 and name HA1
or resid 17 and name HA2
) 3.4 1.6 0.7 volume=0.706 peak=700 ppm1=2.052 ppm2=3.641
assign ( resid 27 and name HB
)
( resid 27 and name HG2#
) 2.5 0.7 0.5 volume=4.085 peak=770 ppm1=4.161 ppm2=1.058
assign ( resid 4 and name HB1
)
( resid 4 and name HN
) 3.5 1.7 0.7 volume=0.539 peak=1015 ppm1=2.866 ppm2=7.738
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 4 and name HB2
) 2.7 0.9 0.5 volume=2.510 peak=65 ppm1=6.870 ppm2=2.740
assign ( resid 15 and name HB2
)
( resid 17 and name HA1
or resid 17 and name HA2
) 3.4 1.6 0.7 volume=0.658 peak=836 ppm1=2.566 ppm2=3.622
assign ( resid 13 and name HN
)
( resid 13 and name HD1 or resid 13 and name HD2
) 3.3 1.5 0.7 volume=0.842 peak=300 ppm1=8.889 ppm2=7.027
assign ( resid 29 and name HG1
)
( resid 27 and name HG2#
) 4.1 2.3 0.8 volume=0.216 peak=1423 ppm1=2.165 ppm2=1.085
assign ( resid 19 and name HN
)
( resid 13 and name HB2
) 3.8 2.0 0.8 volume=0.344 peak=189 ppm1=6.806 ppm2=2.544
assign ( resid 29 and name HG1
)
( resid 29 and name HN
) 3.9 2.1 0.8 volume=0.291 peak=1678 ppm1=2.171 ppm2=7.882
assign ( resid 25 and name HG12
or resid 25 and name HG11
)
( resid 25 and name HD1#
) 2.4 0.6 0.5 volume=6.113 peak=988 ppm1=0.771 ppm2=0.522
assign ( resid 9 and name HN
)
( resid 9 and name HB2
) 3.6 1.8 0.7 volume=0.492 peak=457 ppm1=7.940 ppm2=2.748
assign ( resid 19 and name HN
)
( resid 4 and name HB2
) 3.8 2.0 0.8 volume=0.379 peak=513 ppm1=6.805 ppm2=2.737
assign ( resid 19 and name HN
)
( resid 20 and name HG1
) 4.1 2.3 0.8 volume=0.211 peak=427 ppm1=6.803 ppm2=2.209
assign ( resid 11 and name HB1
)
( resid 11 and name HN
) 3.2 1.4 0.6 volume=1.042 peak=954 ppm1=1.213 ppm2=7.857
assign ( resid 29 and name HB1
)
( resid 27 and name HG2#
) 4.1 2.3 0.8 volume=0.232 peak=678 ppm1=1.898 ppm2=1.047
assign ( resid 7 and name HA
)
( resid 7 and name HG2#
) 2.6 0.8 0.5 volume=3.244 peak=1550 ppm1=3.944 ppm2=0.651
assign ( resid 21 and name HG1
or resid 21 and name HG2
)
( resid 21 and name HA
) 3.3 1.5 0.7 volume=0.824 peak=842 ppm1=1.362 ppm2=3.813
assign ( resid 26 and name HB1
)
( resid 23 and name HA
) 4.8 3.0 1.0 volume=0.090 peak=1054 ppm1=2.531 ppm2=3.471
assign ( resid 26 and name HD2
)
( resid 23 and name HG1#
) 3.2 1.4 0.6 volume=0.999 peak=75 ppm1=6.568 ppm2=1.219
assign ( resid 29 and name HA
)
( resid 30 and name HN
) 2.9 1.1 0.6 volume=1.921 peak=1327 ppm1=4.060 ppm2=8.080
assign ( resid 19 and name HA
)
( resid 19 and name HN
) 3.5 1.7 0.7 volume=0.542 peak=794 ppm1=3.022 ppm2=6.804
assign ( resid 3 and name HA
)
( resid 5 and name HN
) 5.4 3.6 0.6 volume=0.044 peak=1328 ppm1=4.193 ppm2=8.400
assign ( resid 22 and name HD2
)
( resid 22 and name HN
) 4.4 2.6 0.9 volume=0.148 peak=78 ppm1=6.857 ppm2=7.385
assign ( resid 9 and name HN
)
( resid 7 and name HD1#
) 4.5 2.7 0.9 volume=0.130 peak=518 ppm1=7.939 ppm2=0.591
assign ( resid 15 and name HB1
)
( resid 17 and name HN
) 4.6 2.8 0.9 volume=0.121 peak=1484 ppm1=2.703 ppm2=8.244
assign ( resid 12 and name HA
)
( resid 12 and name HG1
) 4.6 2.8 0.9 volume=0.112 peak=1680 ppm1=4.866 ppm2=2.237
assign ( resid 13 and name HB2
)
( resid 15 and name HN
) 4.0 2.2 0.8 volume=0.262 peak=685 ppm1=2.578 ppm2=7.356
assign ( resid 4 and name HB2
)
( resid 19 and name HB1
) 3.8 2.0 0.8 volume=0.374 peak=1561 ppm1=2.735 ppm2=1.725
assign ( resid 29 and name HB2
)
( resid 30 and name HN
) 3.7 1.9 0.7 volume=0.403 peak=854 ppm1=1.859 ppm2=8.072
assign ( resid 25 and name HB
)
( resid 26 and name HN
) 4.0 2.2 0.8 volume=0.264 peak=1053 ppm1=1.600 ppm2=7.268
assign ( resid 25 and name HD1#
)
( resid 25 and name HN
) 3.5 1.7 0.7 volume=0.552 peak=1453 ppm1=0.546 ppm2=7.690
assign ( resid 29 and name HB1
)
( resid 30 and name HN
) 3.7 1.9 0.7 volume=0.440 peak=1620 ppm1=1.895 ppm2=8.072
assign ( resid 26 and name HB2
)
( resid 23 and name HA
) 4.5 2.7 0.9 volume=0.123 peak=1025 ppm1=2.626 ppm2=3.464
assign ( resid 27 and name HN
)
( resid 27 and name HG2#
) 4.1 2.3 0.8 volume=0.229 peak=484 ppm1=7.526 ppm2=1.042
assign ( resid 13 and name HN
)
( resid 3 and name HA
) 4.6 2.8 0.9 volume=0.118 peak=626 ppm1=8.894 ppm2=4.183
assign ( resid 10 and name HN
)
( resid 10 and name HA
) 2.6 0.8 0.5 volume=3.538 peak=226 ppm1=8.186 ppm2=3.857
assign ( resid 28 and name HA1
)
( resid 29 and name HN
) 3.4 1.6 0.7 volume=0.710 peak=808 ppm1=3.815 ppm2=7.885
assign ( resid 10 and name HN
)
( resid 6 and name HB1
) 3.3 1.5 0.7 volume=0.769 peak=532 ppm1=8.187 ppm2=3.257
assign ( resid 3 and name HG2
)
( resid 4 and name HN
) 4.0 2.2 0.8 volume=0.261 peak=1086 ppm1=1.557 ppm2=7.721
assign ( resid 9 and name HN
)
( resid 6 and name HB2
) 3.6 1.8 0.7 volume=0.492 peak=448 ppm1=7.941 ppm2=2.734
assign ( resid 4 and name HB1
)
( resid 5 and name HN
) 4.1 2.3 0.8 volume=0.227 peak=1482 ppm1=2.869 ppm2=8.420
assign ( resid 10 and name HG2
or resid 10 and name HG1
)
( resid 10 and name HE21
) 3.6 1.8 0.7 volume=0.512 peak=1643 ppm1=2.121 ppm2=7.097
assign ( resid 30 and name HN
)
( resid 29 and name HN
) 3.2 1.4 0.6 volume=0.939 peak=283 ppm1=8.078 ppm2=7.884
assign ( resid 8 and name HN
)
( resid 6 and name HB2
) 3.7 1.9 0.7 volume=0.392 peak=354 ppm1=8.508 ppm2=2.739
assign ( resid 15 and name HN
)
( resid 15 and name HB1
) 3.2 1.4 0.6 volume=0.923 peak=535 ppm1=7.347 ppm2=2.673
assign ( resid 11 and name HB2
)
( resid 11 and name HG2
or resid 11 and name HG1
) 3.3 1.5 0.7 volume=0.771 peak=1216 ppm1=1.378 ppm2=1.707
assign ( resid 13 and name HN
)
( resid 12 and name HB1
) 3.4 1.6 0.7 volume=0.666 peak=402 ppm1=8.887 ppm2=1.752
assign ( resid 18 and name HB#
)
( resid 18 and name HA
) 2.7 0.9 0.5 volume=2.500 peak=938 ppm1=1.505 ppm2=3.830
assign ( resid 8 and name HB1
)
( resid 8 and name HA
) 4.0 2.2 0.8 volume=0.274 peak=1378 ppm1=2.240 ppm2=4.210
assign ( resid 7 and name HA
)
( resid 7 and name HB
) 2.8 1.0 0.6 volume=2.228 peak=1572 ppm1=3.941 ppm2=1.691
assign ( resid 3 and name HB2
)
( resid 3 and name HD2
) 3.5 1.7 0.7 volume=0.557 peak=1301 ppm1=1.919 ppm2=3.589
assign ( resid 23 and name HN
)
( resid 24 and name HN
) 3.6 1.8 0.7 volume=0.475 peak=514 ppm1=8.261 ppm2=6.769
assign ( resid 29 and name HN
)
( resid 29 and name HG2
) 3.2 1.4 0.6 volume=1.086 peak=543 ppm1=7.882 ppm2=2.100
assign ( resid 8 and name HB2
)
( resid 9 and name HN
) 3.5 1.7 0.7 volume=0.583 peak=1371 ppm1=1.810 ppm2=7.932
assign ( resid 25 and name HG2#
)
( resid 22 and name HA
) 4.1 2.3 0.8 volume=0.227 peak=1537 ppm1=0.452 ppm2=4.112
assign ( resid 9 and name HA
)
( resid 9 and name HB2
) 2.9 1.1 0.6 volume=1.723 peak=1153 ppm1=5.072 ppm2=2.728
assign ( resid 20 and name HN
)
( resid 19 and name HA
) 3.9 2.1 0.8 volume=0.295 peak=537 ppm1=7.926 ppm2=2.990
assign ( resid 25 and name HB
)
( resid 25 and name HN
) 3.3 1.5 0.7 volume=0.781 peak=1138 ppm1=1.594 ppm2=7.687
assign ( resid 26 and name HN
)
( resid 23 and name HA
) 4.0 2.2 0.8 volume=0.264 peak=291 ppm1=7.271 ppm2=3.457
assign ( resid 25 and name HG2#
)
( resid 26 and name HE1
) 3.9 2.1 0.8 volume=0.315 peak=1491 ppm1=0.454 ppm2=7.919
assign ( resid 20 and name HB2
or resid 20 and name HB1
)
( resid 17 and name HA1
or resid 17 and name HA2
) 3.2 1.4 0.6 volume=0.925 peak=1160 ppm1=2.023 ppm2=3.641
assign ( resid 25 and name HA
)
( resid 25 and name HN
) 3.2 1.4 0.6 volume=0.942 peak=1224 ppm1=3.856 ppm2=7.684
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 13 and name HB1
) 3.2 1.4 0.6 volume=1.035 peak=55 ppm1=7.031 ppm2=3.134
assign ( resid 10 and name HE21
)
( resid 10 and name HE22
) 2.3 0.5 0.5 volume=7.026 peak=275 ppm1=7.094 ppm2=6.371
assign ( resid 29 and name HN
)
( resid 29 and name HB2
) 2.8 1.0 0.6 volume=2.116 peak=133 ppm1=7.883 ppm2=1.822
assign ( resid 6 and name HN
)
( resid 6 and name HB2
) 3.0 1.2 0.6 volume=1.447 peak=550 ppm1=9.001 ppm2=2.712
assign ( resid 12 and name HG2
)
( resid 12 and name HN
) 3.9 2.1 0.8 volume=0.307 peak=1610 ppm1=2.040 ppm2=7.873
assign ( resid 15 and name HN
)
( resid 14 and name HA
) 3.4 1.6 0.7 volume=0.708 peak=318 ppm1=7.346 ppm2=4.428
assign ( resid 3 and name HG2
)
( resid 3 and name HB1
) 3.1 1.3 0.6 volume=1.273 peak=1136 ppm1=1.552 ppm2=1.235
assign ( resid 8 and name HB1
)
( resid 26 and name HB1
) 4.2 2.4 0.8 volume=0.188 peak=1501 ppm1=2.236 ppm2=2.513
assign ( resid 7 and name HA
)
( resid 9 and name HN
) 4.4 2.6 0.9 volume=0.145 peak=1177 ppm1=3.938 ppm2=7.918
assign ( resid 25 and name HB
)
( resid 25 and name HG12
or resid 25 and name HG11
) 3.2 1.4 0.6 volume=0.930 peak=1241 ppm1=1.598 ppm2=0.748
assign ( resid 22 and name HB2
)
( resid 23 and name HA
) 4.1 2.3 0.8 volume=0.221 peak=1394 ppm1=2.748 ppm2=3.508
assign ( resid 7 and name HG2#
)
( resid 7 and name HB
) 2.7 0.9 0.5 volume=2.849 peak=1373 ppm1=0.656 ppm2=1.692
assign ( resid 25 and name HN
)
( resid 25 and name HA
) 3.4 1.6 0.7 volume=0.743 peak=163 ppm1=7.668 ppm2=3.825
assign ( resid 15 and name HB2
)
( resid 18 and name HN
) 4.2 2.4 0.8 volume=0.193 peak=704 ppm1=2.571 ppm2=8.023
assign ( resid 17 and name HN
)
( resid 17 and name HA1
or resid 17 and name HA2
) 2.5 0.7 0.5 volume=4.481 peak=441 ppm1=8.256 ppm2=3.614
assign ( resid 5 and name HN
)
( resid 4 and name HA
) 2.6 0.8 0.5 volume=3.404 peak=556 ppm1=8.425 ppm2=4.488
assign ( resid 21 and name HD2
)
( resid 21 and name HN
) 4.0 2.2 0.8 volume=0.245 peak=1618 ppm1=3.011 ppm2=7.727
assign ( resid 15 and name HN
)
( resid 4 and name HB2
) 3.4 1.6 0.7 volume=0.751 peak=325 ppm1=7.350 ppm2=2.735
assign ( resid 12 and name HG2
)
( resid 13 and name HN
) 4.4 2.6 0.9 volume=0.139 peak=803 ppm1=2.037 ppm2=8.883
assign ( resid 23 and name HA
)
( resid 22 and name HD2
) 3.2 1.4 0.6 volume=0.966 peak=1344 ppm1=3.509 ppm2=6.823
assign ( resid 7 and name HN
)
( resid 7 and name HG2#
) 2.9 1.1 0.6 volume=1.746 peak=305 ppm1=8.662 ppm2=0.653
assign ( resid 26 and name HD2
)
( resid 23 and name HG2#
) 3.2 1.4 0.6 volume=0.999 peak=5 ppm1=6.568 ppm2=1.215
assign ( resid 20 and name HN
)
( resid 17 and name HA1
or resid 17 and name HA2
) 3.8 2.0 0.8 volume=0.343 peak=172 ppm1=7.931 ppm2=3.593
assign ( resid 29 and name HG2
)
( resid 29 and name HA
) 3.5 1.7 0.7 volume=0.587 peak=876 ppm1=2.112 ppm2=4.052
assign ( resid 25 and name HN
)
( resid 24 and name HN
) 3.5 1.7 0.7 volume=0.538 peak=527 ppm1=7.674 ppm2=6.764
assign ( resid 5 and name HN
)
( resid 5 and name HG2#
) 2.9 1.1 0.6 volume=1.974 peak=503 ppm1=8.423 ppm2=0.648
assign ( resid 18 and name HB#
)
( resid 18 and name HN
) 2.9 1.1 0.6 volume=1.999 peak=817 ppm1=1.502 ppm2=8.026
assign ( resid 21 and name HN
)
( resid 20 and name HN
) 2.9 1.1 0.6 volume=1.926 peak=408 ppm1=7.723 ppm2=7.904
assign ( resid 21 and name HG1
or resid 21 and name HG2
)
( resid 21 and name HD2
) 3.3 1.5 0.7 volume=0.863 peak=706 ppm1=1.363 ppm2=3.011
assign ( resid 29 and name HB2
)
( resid 29 and name HN
) 3.3 1.5 0.7 volume=0.791 peak=889 ppm1=1.857 ppm2=7.885
assign ( resid 10 and name HB1
)
( resid 10 and name HB2
) 2.3 0.5 0.5 volume=7.906 peak=1317 ppm1=2.336 ppm2=2.191
assign ( resid 13 and name HB1
)
( resid 15 and name HN
) 3.7 1.9 0.7 volume=0.428 peak=714 ppm1=3.138 ppm2=7.339
assign ( resid 7 and name HG12
or resid 7 and name HG11
)
( resid 7 and name HB
) 3.0 1.2 0.6 volume=1.434 peak=958 ppm1=0.958 ppm2=1.695
assign ( resid 18 and name HN
)
( resid 15 and name HB2
) 4.1 2.3 0.8 volume=0.237 peak=593 ppm1=8.038 ppm2=2.544
assign ( resid 8 and name HB1
)
( resid 8 and name HB2
) 2.7 0.9 0.5 volume=2.727 peak=1279 ppm1=2.240 ppm2=1.777
assign ( resid 22 and name HN
)
( resid 21 and name HB1
) 2.7 0.9 0.5 volume=2.493 peak=400 ppm1=7.371 ppm2=1.722
assign ( resid 13 and name HB2
)
( resid 13 and name HB1
) 3.3 1.5 0.7 volume=0.814 peak=908 ppm1=2.578 ppm2=3.139
assign ( resid 13 and name HN
)
( resid 12 and name HB2
) 3.5 1.7 0.7 volume=0.551 peak=411 ppm1=8.890 ppm2=1.596
assign ( resid 3 and name HG1
)
( resid 4 and name HN
) 4.4 2.6 0.9 volume=0.141 peak=1597 ppm1=1.732 ppm2=7.712
assign ( resid 12 and name HA
)
( resid 12 and name HN
) 4.9 3.1 1.0 volume=0.081 peak=1516 ppm1=4.867 ppm2=7.849
assign ( resid 25 and name HG2#
)
( resid 25 and name HA
) 3.1 1.3 0.6 volume=1.268 peak=1039 ppm1=0.454 ppm2=3.829
assign ( resid 11 and name HB2
)
( resid 11 and name HA
) 3.6 1.8 0.7 volume=0.472 peak=1420 ppm1=1.382 ppm2=3.920
assign ( resid 20 and name HG2
)
( resid 20 and name HN
) 3.7 1.9 0.7 volume=0.408 peak=963 ppm1=2.287 ppm2=7.941
assign ( resid 11 and name HB1
)
( resid 11 and name HD1
) 3.9 2.1 0.8 volume=0.303 peak=1523 ppm1=1.218 ppm2=2.984
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 6 and name HB2
) 3.6 1.8 0.7 volume=0.495 peak=37 ppm1=7.033 ppm2=2.746
assign ( resid 13 and name HN
)
( resid 13 and name HB2
) 3.2 1.4 0.6 volume=0.997 peak=399 ppm1=8.890 ppm2=2.541
assign ( resid 7 and name HB
)
( resid 7 and name HG12
or resid 7 and name HG11
) 3.5 1.7 0.7 volume=0.583 peak=912 ppm1=1.714 ppm2=0.969
assign ( resid 11 and name HA
)
( resid 12 and name HN
) 2.4 0.6 0.5 volume=5.123 peak=713 ppm1=3.953 ppm2=7.852
assign ( resid 26 and name HB2
)
( resid 25 and name HG2#
) 4.6 2.8 0.9 volume=0.111 peak=1370 ppm1=2.636 ppm2=0.464
assign ( resid 25 and name HG2#
)
( resid 25 and name HB
) 2.7 0.9 0.5 volume=2.506 peak=1045 ppm1=0.454 ppm2=1.572
assign ( resid 18 and name HA
)
( resid 18 and name HN
) 3.1 1.3 0.6 volume=1.153 peak=1468 ppm1=3.857 ppm2=8.016
assign ( resid 7 and name HB
)
( resid 7 and name HG2#
) 2.6 0.8 0.5 volume=3.720 peak=979 ppm1=1.715 ppm2=0.635
assign ( resid 22 and name HA
)
( resid 22 and name HN
) 2.9 1.1 0.6 volume=2.001 peak=1134 ppm1=4.143 ppm2=7.392
assign ( resid 12 and name HN
)
( resid 12 and name HG1
) 3.1 1.3 0.6 volume=1.130 peak=395 ppm1=7.860 ppm2=2.222
assign ( resid 26 and name HD2
)
( resid 26 and name HB2
) 3.5 1.7 0.7 volume=0.561 peak=74 ppm1=6.572 ppm2=2.621
assign ( resid 21 and name HG1
or resid 21 and name HG2
)
( resid 21 and name HB1
) 2.5 0.7 0.5 volume=4.473 peak=1071 ppm1=1.363 ppm2=1.719
assign ( resid 26 and name HN
)
( resid 25 and name HG12
or resid 25 and name HG11
) 4.0 2.2 0.8 volume=0.255 peak=577 ppm1=7.272 ppm2=0.717
assign ( resid 21 and name HG1
or resid 21 and name HG2
)
( resid 21 and name HB2
) 2.4 0.6 0.5 volume=6.305 peak=1008 ppm1=1.364 ppm2=1.663
assign ( resid 21 and name HD1
)
( resid 21 and name HA
) 3.8 2.0 0.8 volume=0.345 peak=909 ppm1=3.151 ppm2=3.825
assign ( resid 12 and name HN
)
( resid 12 and name HB2
) 2.9 1.1 0.6 volume=1.692 peak=501 ppm1=7.858 ppm2=1.628
assign ( resid 24 and name HN
)
( resid 23 and name HN
) 3.5 1.7 0.7 volume=0.587 peak=650 ppm1=6.760 ppm2=8.272
assign ( resid 10 and name HG2
or resid 10 and name HG1
)
( resid 10 and name HA
) 3.2 1.4 0.6 volume=0.988 peak=1487 ppm1=2.121 ppm2=3.884
assign ( resid 6 and name HB1
)
( resid 6 and name HN
) 2.9 1.1 0.6 volume=1.643 peak=1197 ppm1=3.291 ppm2=9.002
assign ( resid 12 and name HN
)
( resid 12 and name HB1
) 2.9 1.1 0.6 volume=1.751 peak=443 ppm1=7.857 ppm2=1.749
assign ( resid 17 and name HN
)
( resid 18 and name HN
) 3.2 1.4 0.6 volume=1.074 peak=574 ppm1=8.251 ppm2=8.037
assign ( resid 14 and name HB#
)
( resid 14 and name HA
) 3.8 2.0 0.8 volume=0.357 peak=1630 ppm1=1.449 ppm2=4.397
assign ( resid 7 and name HG12
or resid 7 and name HG11
)
( resid 7 and name HG2#
) 2.4 0.6 0.5 volume=5.417 peak=1092 ppm1=0.972 ppm2=0.655
assign ( resid 9 and name HN
)
( resid 6 and name HB1
) 3.5 1.7 0.7 volume=0.547 peak=203 ppm1=7.940 ppm2=3.267
assign ( resid 29 and name HN
)
( resid 28 and name HA2
or resid 28 and name HA1
) 2.7 0.9 0.5 volume=2.787 peak=256 ppm1=7.881 ppm2=3.806
assign ( resid 21 and name HN
)
( resid 20 and name HG1
) 3.6 1.8 0.7 volume=0.502 peak=413 ppm1=7.725 ppm2=2.207
assign ( resid 15 and name HN
)
( resid 15 and name HA
) 3.1 1.3 0.6 volume=1.265 peak=571 ppm1=7.347 ppm2=4.693
assign ( resid 29 and name HB2
)
( resid 27 and name HG2#
) 4.4 2.6 0.9 volume=0.143 peak=1101 ppm1=1.848 ppm2=1.045
assign ( resid 29 and name HN
)
( resid 30 and name HN
) 3.0 1.2 0.6 volume=1.507 peak=209 ppm1=7.886 ppm2=8.064
assign ( resid 21 and name HA
)
( resid 21 and name HN
) 2.8 1.0 0.6 volume=2.167 peak=1186 ppm1=3.825 ppm2=7.726
assign ( resid 17 and name HA1
or resid 17 and name HA2
)
( resid 18 and name HN
) 3.2 1.4 0.6 volume=1.059 peak=1185 ppm1=3.674 ppm2=8.020
assign ( resid 6 and name HA
)
( resid 6 and name HB1
) 4.4 2.6 0.9 volume=0.154 peak=1292 ppm1=4.482 ppm2=3.259
assign ( resid 16 and name HD1
)
( resid 16 and name HD2
) 2.9 1.1 0.6 volume=1.966 peak=1154 ppm1=3.081 ppm2=3.635
assign ( resid 22 and name HN
)
( resid 21 and name HN
) 3.0 1.2 0.6 volume=1.531 peak=244 ppm1=7.367 ppm2=7.723
assign ( resid 12 and name HE21
)
( resid 12 and name HG2
) 3.8 2.0 0.8 volume=0.368 peak=425 ppm1=7.489 ppm2=2.018
assign ( resid 28 and name HN
)
( resid 27 and name HA
) 3.8 2.0 0.8 volume=0.360 peak=570 ppm1=8.106 ppm2=4.104
assign ( resid 4 and name HN
)
( resid 5 and name HG1#
) 4.3 2.5 0.9 volume=0.171 peak=240 ppm1=7.732 ppm2=0.645
assign ( resid 7 and name HN
)
( resid 7 and name HB
) 3.4 1.6 0.7 volume=0.651 peak=525 ppm1=8.660 ppm2=1.688
assign ( resid 7 and name HN
)
( resid 8 and name HN
) 3.0 1.2 0.6 volume=1.428 peak=332 ppm1=8.657 ppm2=8.501
assign ( resid 19 and name HA
)
( resid 22 and name HN
) 3.9 2.1 0.8 volume=0.287 peak=1126 ppm1=3.029 ppm2=7.368
assign ( resid 23 and name HB
)
( resid 24 and name HN
) 3.7 1.9 0.7 volume=0.388 peak=671 ppm1=2.249 ppm2=6.773
assign ( resid 25 and name HN
)
( resid 24 and name HA
) 3.8 2.0 0.8 volume=0.339 peak=223 ppm1=7.673 ppm2=3.970
assign ( resid 25 and name HA
)
( resid 25 and name HG12
or resid 25 and name HG11
) 3.8 2.0 0.8 volume=0.352 peak=837 ppm1=3.855 ppm2=0.755
assign ( resid 12 and name HB1
)
( resid 12 and name HN
) 3.5 1.7 0.7 volume=0.571 peak=1133 ppm1=1.754 ppm2=7.874
assign ( resid 10 and name HN
)
( resid 9 and name HA
) 3.6 1.8 0.7 volume=0.472 peak=109 ppm1=8.185 ppm2=5.018
assign ( resid 23 and name HB
)
( resid 20 and name HA
) 4.0 2.2 0.8 volume=0.281 peak=1310 ppm1=2.245 ppm2=3.777
assign ( resid 7 and name HG12
or resid 7 and name HG11
)
( resid 7 and name HA
) 4.1 2.3 0.8 volume=0.216 peak=1486 ppm1=0.975 ppm2=3.911
assign ( resid 22 and name HN
)
( resid 19 and name HA
) 2.9 1.1 0.6 volume=1.848 peak=433 ppm1=7.372 ppm2=2.995
assign ( resid 19 and name HB1
)
( resid 16 and name HA
) 3.8 2.0 0.8 volume=0.378 peak=1368 ppm1=1.735 ppm2=3.449
assign ( resid 7 and name HD1#
)
( resid 7 and name HG12
or resid 7 and name HG11
) 2.7 0.9 0.5 volume=2.846 peak=786 ppm1=0.600 ppm2=0.950
assign ( resid 13 and name HN
)
( resid 12 and name HG2
) 4.1 2.3 0.8 volume=0.221 peak=644 ppm1=8.885 ppm2=2.016
assign ( resid 8 and name HB1
)
( resid 8 and name HN
) 3.7 1.9 0.7 volume=0.416 peak=1525 ppm1=2.240 ppm2=8.513
assign ( resid 4 and name HB1
)
( resid 4 and name HB2
) 2.4 0.6 0.5 volume=5.179 peak=1263 ppm1=2.860 ppm2=2.733
assign ( resid 24 and name HN
)
( resid 25 and name HN
) 3.4 1.6 0.7 volume=0.701 peak=192 ppm1=6.757 ppm2=7.687
assign ( resid 29 and name HG2
)
( resid 29 and name HN
) 3.7 1.9 0.7 volume=0.446 peak=1056 ppm1=2.115 ppm2=7.885
assign ( resid 19 and name HB1
)
( resid 19 and name HN
) 3.3 1.5 0.7 volume=0.767 peak=1326 ppm1=1.739 ppm2=6.801
assign ( resid 15 and name HN
)
( resid 15 and name HB2
) 3.0 1.2 0.6 volume=1.371 peak=454 ppm1=7.347 ppm2=2.541
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 13 and name HN
) 3.5 1.7 0.7 volume=0.599 peak=72 ppm1=7.029 ppm2=8.891
assign ( resid 11 and name HB1
)
( resid 6 and name HB1
) 4.4 2.6 0.9 volume=0.139 peak=1437 ppm1=1.212 ppm2=3.260
assign ( resid 22 and name HB2
)
( resid 22 and name HB1
) 2.2 0.4 0.4 volume=9.200 peak=785 ppm1=2.721 ppm2=2.914
assign ( resid 11 and name HB2
)
( resid 11 and name HB1
) 2.3 0.5 0.5 volume=6.931 peak=1573 ppm1=1.381 ppm2=1.209
assign ( resid 19 and name HN
)
( resid 19 and name HD2#
) 3.3 1.5 0.7 volume=0.878 peak=360 ppm1=6.803 ppm2=0.853
assign ( resid 3 and name HA
)
( resid 4 and name HN
) 3.3 1.5 0.7 volume=0.781 peak=1671 ppm1=4.195 ppm2=7.736
assign ( resid 25 and name HB
)
( resid 25 and name HA
) 3.0 1.2 0.6 volume=1.479 peak=675 ppm1=1.594 ppm2=3.833
assign ( resid 10 and name HB1
)
( resid 11 and name HN
) 4.7 2.9 0.9 volume=0.101 peak=1546 ppm1=2.332 ppm2=7.843
assign ( resid 12 and name HE22
)
( resid 5 and name HG1#
or resid 5 and name HG2#
) 4.1 2.3 0.8 volume=0.231 peak=412 ppm1=6.630 ppm2=0.639
assign ( resid 21 and name HN
)
( resid 19 and name HA
) 3.6 1.8 0.7 volume=0.490 peak=470 ppm1=7.724 ppm2=2.990
assign ( resid 26 and name HD2
)
( resid 8 and name HN
) 4.7 2.9 0.9 volume=0.103 peak=77 ppm1=6.566 ppm2=8.486
assign ( resid 19 and name HN
)
( resid 18 and name HA
) 3.5 1.7 0.7 volume=0.627 peak=516 ppm1=6.802 ppm2=3.810
assign ( resid 4 and name HN
)
( resid 4 and name HD1 or resid 4 and name HD2
) 3.4 1.6 0.7 volume=0.667 peak=292 ppm1=7.728 ppm2=6.866
assign ( resid 26 and name HB1
)
( resid 27 and name HN
) 4.6 2.8 0.9 volume=0.118 peak=1679 ppm1=2.533 ppm2=7.566
assign ( resid 26 and name HB2
)
( resid 26 and name HN
) 3.7 1.9 0.7 volume=0.396 peak=684 ppm1=2.632 ppm2=7.286
assign ( resid 11 and name HB2
)
( resid 6 and name HB2
) 3.8 2.0 0.8 volume=0.344 peak=1555 ppm1=1.382 ppm2=2.737
assign ( resid 24 and name HG2
)
( resid 24 and name HD2
) 3.0 1.2 0.6 volume=1.621 peak=853 ppm1=1.550 ppm2=3.055
assign ( resid 7 and name HG2#
)
( resid 7 and name HG12
or resid 7 and name HG11
) 2.7 0.9 0.5 volume=2.657 peak=1452 ppm1=0.657 ppm2=0.967
assign ( resid 6 and name HN
)
( resid 19 and name HD2#
) 3.5 1.7 0.7 volume=0.603 peak=481 ppm1=9.001 ppm2=0.865
assign ( resid 26 and name HD2
)
( resid 23 and name HA
) 2.8 1.0 0.6 volume=2.146 peak=93 ppm1=6.575 ppm2=3.485
assign ( resid 4 and name HN
)
( resid 5 and name HN
) 4.0 2.2 0.8 volume=0.269 peak=523 ppm1=7.732 ppm2=8.402
assign ( resid 10 and name HN
)
( resid 9 and name HB2
) 3.6 1.8 0.7 volume=0.496 peak=389 ppm1=8.191 ppm2=2.734
assign ( resid 12 and name HG1
)
( resid 12 and name HE21
) 3.2 1.4 0.6 volume=1.021 peak=857 ppm1=2.260 ppm2=7.486
assign ( resid 24 and name HG2
)
( resid 24 and name HA
) 3.3 1.5 0.7 volume=0.772 peak=688 ppm1=1.544 ppm2=3.972
assign ( resid 22 and name HD2
)
( resid 6 and name HB2
) 3.3 1.5 0.7 volume=0.877 peak=95 ppm1=6.850 ppm2=2.753
assign ( resid 15 and name HB1
)
( resid 14 and name HB#
) 3.7 1.9 0.7 volume=0.448 peak=1489 ppm1=2.700 ppm2=1.434
assign ( resid 22 and name HB1
)
( resid 22 and name HA
) 3.6 1.8 0.7 volume=0.455 peak=1418 ppm1=2.915 ppm2=4.111
assign ( resid 7 and name HA
)
( resid 7 and name HG12
or resid 7 and name HG11
) 3.2 1.4 0.6 volume=0.983 peak=1480 ppm1=3.946 ppm2=0.966
assign ( resid 16 and name HD2
)
( resid 16 and name HD1
) 2.7 0.9 0.5 volume=2.997 peak=1641 ppm1=3.654 ppm2=3.063
assign ( resid 8 and name HN
)
( resid 7 and name HD1#
) 3.5 1.7 0.7 volume=0.554 peak=236 ppm1=8.495 ppm2=0.594
assign ( resid 26 and name HN
)
( resid 27 and name HN
) 3.1 1.3 0.6 volume=1.115 peak=101 ppm1=7.276 ppm2=7.542
assign ( resid 10 and name HE22
)
( resid 10 and name HG2
or resid 10 and name HG1
) 4.0 2.2 0.8 volume=0.275 peak=261 ppm1=6.362 ppm2=2.082
assign ( resid 8 and name HN
)
( resid 9 and name HN
) 3.2 1.4 0.6 volume=0.988 peak=229 ppm1=8.499 ppm2=7.938
assign ( resid 11 and name HN
)
( resid 6 and name HB2
) 3.4 1.6 0.7 volume=0.659 peak=538 ppm1=7.838 ppm2=2.738
assign ( resid 25 and name HG12
or resid 25 and name HG11
)
( resid 25 and name HA
) 3.8 2.0 0.8 volume=0.334 peak=939 ppm1=0.785 ppm2=3.838
assign ( resid 5 and name HB
)
( resid 5 and name HN
) 3.3 1.5 0.7 volume=0.873 peak=1273 ppm1=1.717 ppm2=8.426
assign ( resid 19 and name HA
)
( resid 19 and name HB2
) 3.2 1.4 0.6 volume=1.026 peak=865 ppm1=3.025 ppm2=1.027
assign ( resid 26 and name HB1
)
( resid 25 and name HG2#
) 5.0 3.2 1.0 volume=0.066 peak=1302 ppm1=2.525 ppm2=0.464
assign ( resid 19 and name HN
)
( resid 20 and name HN
) 3.1 1.3 0.6 volume=1.255 peak=248 ppm1=6.802 ppm2=7.928
assign ( resid 20 and name HG1
)
( resid 20 and name HN
) 3.8 2.0 0.8 volume=0.372 peak=1159 ppm1=2.208 ppm2=7.941
assign ( resid 4 and name HB2
)
( resid 4 and name HN
) 3.5 1.7 0.7 volume=0.587 peak=1220 ppm1=2.734 ppm2=7.736
assign ( resid 22 and name HA
)
( resid 25 and name HN
) 4.5 2.7 0.9 volume=0.132 peak=901 ppm1=4.139 ppm2=7.683
assign ( resid 10 and name HN
)
( resid 11 and name HN
) 3.0 1.2 0.6 volume=1.487 peak=128 ppm1=8.185 ppm2=7.845
assign ( resid 12 and name HE22
)
( resid 12 and name HE21
) 2.2 0.4 0.4 volume=8.334 peak=257 ppm1=6.632 ppm2=7.489
assign ( resid 22 and name HN
)
( resid 20 and name HA
) 3.3 1.5 0.7 volume=0.886 peak=442 ppm1=7.369 ppm2=3.778
assign ( resid 21 and name HN
)
( resid 23 and name HN
) 3.8 2.0 0.8 volume=0.347 peak=549 ppm1=7.722 ppm2=8.272
assign ( resid 21 and name HD1
)
( resid 21 and name HN
) 4.6 2.8 0.9 volume=0.120 peak=1606 ppm1=3.165 ppm2=7.734
assign ( resid 11 and name HN
)
( resid 10 and name HN
) 3.3 1.5 0.7 volume=0.779 peak=313 ppm1=7.844 ppm2=8.192
assign ( resid 3 and name HB2
)
( resid 3 and name HA
) 3.3 1.5 0.7 volume=0.816 peak=802 ppm1=1.919 ppm2=4.170
assign ( resid 29 and name HA
)
( resid 29 and name HG2
) 3.0 1.2 0.6 volume=1.355 peak=1494 ppm1=4.058 ppm2=2.117
assign ( resid 14 and name HB#
)
( resid 15 and name HB2
) 3.7 1.9 0.7 volume=0.416 peak=1639 ppm1=1.451 ppm2=2.550
assign ( resid 25 and name HG2#
)
( resid 26 and name HB2
) 4.5 2.7 0.9 volume=0.129 peak=1175 ppm1=0.456 ppm2=2.649
assign ( resid 22 and name HA
)
( resid 23 and name HN
) 3.6 1.8 0.7 volume=0.489 peak=1232 ppm1=4.143 ppm2=8.280
assign ( resid 4 and name HA
)
( resid 5 and name HN
) 4.0 2.2 0.8 volume=0.259 peak=1386 ppm1=4.510 ppm2=8.424
assign ( resid 11 and name HN
)
( resid 10 and name HA
) 3.1 1.3 0.6 volume=1.328 peak=159 ppm1=7.839 ppm2=3.857
assign ( resid 21 and name HN
)
( resid 20 and name HA
) 2.7 0.9 0.5 volume=2.557 peak=493 ppm1=7.725 ppm2=3.776
assign ( resid 9 and name HN
)
( resid 9 and name HB1
) 3.5 1.7 0.7 volume=0.574 peak=364 ppm1=7.942 ppm2=3.327
assign ( resid 13 and name HN
)
( resid 12 and name HN
) 4.5 2.7 0.9 volume=0.131 peak=555 ppm1=8.893 ppm2=7.866
assign ( resid 14 and name HB#
)
( resid 14 and name HN
) 4.0 2.2 0.8 volume=0.264 peak=1617 ppm1=1.450 ppm2=8.968
assign ( resid 10 and name HE21
)
( resid 10 and name HG2
or resid 10 and name HG1
) 3.5 1.7 0.7 volume=0.614 peak=322 ppm1=7.089 ppm2=2.085
assign ( resid 24 and name HG2
)
( resid 24 and name HN
) 3.3 1.5 0.7 volume=0.781 peak=1155 ppm1=1.551 ppm2=6.762
assign ( resid 26 and name HE1
)
( resid 9 and name HB1
) 3.5 1.7 0.7 volume=0.597 peak=48 ppm1=7.931 ppm2=3.341
assign ( resid 3 and name HB2
)
( resid 3 and name HB1
) 2.4 0.6 0.5 volume=5.413 peak=1511 ppm1=1.917 ppm2=1.235
assign ( resid 7 and name HG12
or resid 7 and name HG11
)
( resid 7 and name HN
) 3.5 1.7 0.7 volume=0.573 peak=1184 ppm1=0.970 ppm2=8.662
assign ( resid 10 and name HA
)
( resid 10 and name HN
) 2.7 0.9 0.5 volume=2.603 peak=1245 ppm1=3.901 ppm2=8.200
assign ( resid 22 and name HB2
)
( resid 22 and name HD2
) 3.7 1.9 0.7 volume=0.398 peak=1403 ppm1=2.720 ppm2=6.840
assign ( resid 22 and name HN
)
( resid 25 and name HG12
or resid 25 and name HG11
) 3.9 2.1 0.8 volume=0.320 peak=170 ppm1=7.367 ppm2=0.777
assign ( resid 10 and name HB1
)
( resid 10 and name HN
) 4.2 2.4 0.8 volume=0.190 peak=868 ppm1=2.328 ppm2=8.198
assign ( resid 10 and name HN
)
( resid 10 and name HG2
or resid 10 and name HG1
) 3.2 1.4 0.6 volume=1.049 peak=596 ppm1=8.184 ppm2=2.109
assign ( resid 21 and name HN
)
( resid 18 and name HA
) 2.7 0.9 0.5 volume=2.557 peak=564 ppm1=7.724 ppm2=3.806
assign ( resid 15 and name HN
)
( resid 14 and name HB#
) 2.9 1.1 0.6 volume=1.993 peak=640 ppm1=7.348 ppm2=1.434
assign ( resid 9 and name HN
)
( resid 10 and name HN
) 2.9 1.1 0.6 volume=1.918 peak=329 ppm1=7.941 ppm2=8.195
assign ( resid 22 and name HB2
)
( resid 19 and name HD1#
) 3.8 2.0 0.8 volume=0.368 peak=1144 ppm1=2.720 ppm2=0.783
assign ( resid 26 and name HD2
)
( resid 26 and name HB1
) 3.6 1.8 0.7 volume=0.532 peak=64 ppm1=6.570 ppm2=2.519
assign ( resid 21 and name HN
)
( resid 21 and name HG1
or resid 21 and name HG2
) 3.4 1.6 0.7 volume=0.730 peak=628 ppm1=7.724 ppm2=1.337
assign ( resid 25 and name HD1#
)
( resid 25 and name HB
) 2.9 1.1 0.6 volume=1.820 peak=776 ppm1=0.546 ppm2=1.571
assign ( resid 12 and name HG2
)
( resid 5 and name HG1#
) 3.3 1.5 0.7 volume=0.830 peak=825 ppm1=2.040 ppm2=0.638
assign ( resid 27 and name HA
)
( resid 28 and name HN
) 4.2 2.4 0.8 volume=0.184 peak=1208 ppm1=4.155 ppm2=8.118
assign ( resid 26 and name HB1
)
( resid 27 and name HG2#
) 4.4 2.6 0.9 volume=0.141 peak=1314 ppm1=2.524 ppm2=1.068
assign ( resid 4 and name HB1
)
( resid 19 and name HB1
) 3.8 2.0 0.8 volume=0.379 peak=1592 ppm1=2.861 ppm2=1.727
assign ( resid 20 and name HA
)
( resid 23 and name HN
) 4.2 2.4 0.8 volume=0.207 peak=1517 ppm1=3.816 ppm2=8.279
assign ( resid 15 and name HB1
)
( resid 17 and name HA1
or resid 17 and name HA2
) 3.2 1.4 0.6 volume=0.931 peak=1473 ppm1=2.697 ppm2=3.619
assign ( resid 22 and name HA
)
( resid 22 and name HB2
) 2.6 0.8 0.5 volume=3.730 peak=1150 ppm1=4.145 ppm2=2.733
assign ( resid 20 and name HN
)
( resid 20 and name HG1
) 3.4 1.6 0.7 volume=0.725 peak=337 ppm1=7.926 ppm2=2.217
assign ( resid 12 and name HE22
)
( resid 12 and name HG2
) 3.9 2.1 0.8 volume=0.290 peak=497 ppm1=6.631 ppm2=2.020
assign ( resid 11 and name HN
)
( resid 5 and name HB
) 3.2 1.4 0.6 volume=0.958 peak=123 ppm1=7.837 ppm2=1.700
assign ( resid 9 and name HN
)
( resid 10 and name HA
) 3.6 1.8 0.7 volume=0.495 peak=255 ppm1=7.939 ppm2=3.862
assign ( resid 3 and name HD2
)
( resid 3 and name HB1
) 3.4 1.6 0.7 volume=0.749 peak=1038 ppm1=3.602 ppm2=1.231
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 13 and name HB2
) 3.4 1.6 0.7 volume=0.745 peak=11 ppm1=7.033 ppm2=2.579
assign ( resid 3 and name HG1
)
( resid 3 and name HD2
) 3.0 1.2 0.6 volume=1.475 peak=718 ppm1=1.741 ppm2=3.584
assign ( resid 25 and name HD1#
)
( resid 26 and name HN
) 4.3 2.5 0.9 volume=0.171 peak=962 ppm1=0.546 ppm2=7.296
assign ( resid 19 and name HN
)
( resid 17 and name HN
) 3.7 1.9 0.7 volume=0.425 peak=494 ppm1=6.803 ppm2=8.253
assign ( resid 30 and name HN
)
( resid 30 and name HA
) 3.6 1.8 0.7 volume=0.464 peak=598 ppm1=8.078 ppm2=4.434
assign ( resid 20 and name HA
)
( resid 20 and name HN
) 2.6 0.8 0.5 volume=3.602 peak=813 ppm1=3.812 ppm2=7.934
assign ( resid 17 and name HA1
or resid 17 and name HA2
)
( resid 19 and name HN
) 4.4 2.6 0.9 volume=0.157 peak=863 ppm1=3.651 ppm2=6.810
assign ( resid 6 and name HA
)
( resid 6 and name HB2
) 4.0 2.2 0.8 volume=0.270 peak=1044 ppm1=4.482 ppm2=2.734
assign ( resid 10 and name HB1
)
( resid 10 and name HG2
or resid 10 and name HG1
) 2.3 0.5 0.5 volume=7.985 peak=970 ppm1=2.336 ppm2=2.120
assign ( resid 23 and name HB
)
( resid 23 and name HA
) 3.4 1.6 0.7 volume=0.750 peak=1340 ppm1=2.248 ppm2=3.486
assign ( resid 26 and name HD2
)
( resid 26 and name HE1
) 4.1 2.3 0.8 volume=0.226 peak=94 ppm1=6.576 ppm2=7.943
assign ( resid 21 and name HA
)
( resid 21 and name HB2
) 2.5 0.7 0.5 volume=4.120 peak=1428 ppm1=3.826 ppm2=1.648
assign ( resid 13 and name HD1 or resid 13 and name HD2
)
( resid 19 and name HD1#
) 3.3 1.5 0.7 volume=0.879 peak=53 ppm1=7.030 ppm2=0.788
assign ( resid 29 and name HA
)
( resid 29 and name HB2
) 2.6 0.8 0.5 volume=3.170 peak=812 ppm1=4.058 ppm2=1.833
assign ( resid 25 and name HA
)
( resid 26 and name HN
) 3.8 2.0 0.8 volume=0.353 peak=1099 ppm1=3.856 ppm2=7.284
assign ( resid 10 and name HB2
)
( resid 10 and name HA
) 3.5 1.7 0.7 volume=0.604 peak=1619 ppm1=2.189 ppm2=3.877
assign ( resid 7 and name HD1#
)
( resid 7 and name HB
) 3.0 1.2 0.6 volume=1.574 peak=1052 ppm1=0.600 ppm2=1.696
assign ( resid 10 and name HN
)
( resid 8 and name HN
) 3.8 2.0 0.8 volume=0.377 peak=489 ppm1=8.183 ppm2=8.483
assign ( resid 20 and name HA
)
( resid 20 and name HG1
) 3.1 1.3 0.6 volume=1.266 peak=1003 ppm1=3.801 ppm2=2.210
assign ( resid 21 and name HN
)
( resid 21 and name HB2
) 2.5 0.7 0.5 volume=4.743 peak=499 ppm1=7.726 ppm2=1.661
assign ( resid 12 and name HE21
)
( resid 12 and name HE22
) 2.2 0.4 0.4 volume=8.396 peak=125 ppm1=7.488 ppm2=6.637
assign ( resid 7 and name HG2#
)
( resid 7 and name HA
) 3.1 1.3 0.6 volume=1.252 peak=819 ppm1=0.657 ppm2=3.909
assign ( resid 25 and name HN
)
( resid 26 and name HN
) 3.2 1.4 0.6 volume=0.923 peak=356 ppm1=7.674 ppm2=7.293
assign ( resid 23 and name HN
)
( resid 22 and name HA
) 3.0 1.2 0.6 volume=1.377 peak=407 ppm1=8.256 ppm2=4.106
assign ( resid 5 and name HB
)
( resid 10 and name HA
) 4.4 2.6 0.9 volume=0.142 peak=1306 ppm1=1.714 ppm2=3.875
assign ( resid 20 and name HN
)
( resid 19 and name HB2
) 3.7 1.9 0.7 volume=0.393 peak=446 ppm1=7.929 ppm2=1.037
assign ( resid 11 and name HA
)
( resid 11 and name HB1
) 2.7 0.9 0.5 volume=2.840 peak=799 ppm1=3.950 ppm2=1.218
assign ( resid 26 and name HN
)
( resid 26 and name HB1
) 3.2 1.4 0.6 volume=0.938 peak=576 ppm1=7.273 ppm2=2.511
assign ( resid 25 and name HG2#
)
( resid 26 and name HN
) 3.9 2.1 0.8 volume=0.285 peak=1631 ppm1=0.454 ppm2=7.294
assign ( resid 22 and name HA
)
( resid 25 and name HG12
or resid 25 and name HG11
) 4.2 2.4 0.8 volume=0.205 peak=1187 ppm1=4.143 ppm2=0.752
assign ( resid 15 and name HB2
)
( resid 18 and name HB#
) 3.4 1.6 0.7 volume=0.753 peak=1291 ppm1=2.578 ppm2=1.492
assign ( resid 8 and name HB1
)
( resid 9 and name HN
) 3.8 2.0 0.8 volume=0.372 peak=1248 ppm1=2.242 ppm2=7.947
assign ( resid 18 and name HN
)
( resid 19 and name HN
) 3.4 1.6 0.7 volume=0.739 peak=258 ppm1=8.025 ppm2=6.797
assign ( resid 7 and name HB
)
( resid 7 and name HA
) 3.0 1.2 0.6 volume=1.362 peak=1656 ppm1=1.717 ppm2=3.908
assign ( resid 4 and name HN
)
( resid 4 and name HB2
) 3.0 1.2 0.6 volume=1.344 peak=524 ppm1=7.731 ppm2=2.694
assign ( resid 18 and name HN
)
( resid 18 and name HA
) 3.3 1.5 0.7 volume=0.860 peak=336 ppm1=8.034 ppm2=3.803
assign ( resid 12 and name HB2
)
( resid 12 and name HN
) 3.4 1.6 0.7 volume=0.732 peak=1100 ppm1=1.638 ppm2=7.876
assign ( resid 6 and name HN
)
( resid 6 and name HA
) 3.2 1.4 0.6 volume=0.933 peak=207 ppm1=9.003 ppm2=4.464
assign ( resid 12 and name HA
)
( resid 13 and name HN
) 3.6 1.8 0.7 volume=0.472 peak=1247 ppm1=4.865 ppm2=8.886
assign ( resid 30 and name HN
)
( resid 29 and name HA
) 2.9 1.1 0.6 volume=1.702 peak=419 ppm1=8.075 ppm2=4.030
assign ( resid 6 and name HB2
)
( resid 9 and name HN
) 3.4 1.6 0.7 volume=0.664 peak=1256 ppm1=2.744 ppm2=7.944
assign ( resid 9 and name HA
)
( resid 9 and name HB1
) 2.9 1.1 0.6 volume=1.807 peak=1445 ppm1=5.076 ppm2=3.328
assign ( resid 13 and name HB1
)
( resid 13 and name HN
) 4.0 2.2 0.8 volume=0.279 peak=735 ppm1=3.136 ppm2=8.901
assign ( resid 5 and name HB
)
( resid 5 and name HG1#
or resid 5 and name HG2#
) 2.3 0.5 0.5 volume=6.578 peak=1125 ppm1=1.716 ppm2=0.642
assign ( resid 25 and name HN
)
( resid 25 and name HB
) 3.0 1.2 0.6 volume=1.456 peak=116 ppm1=7.682 ppm2=1.577
assign ( resid 8 and name HN
)
( resid 26 and name HD2
) 4.5 2.7 0.9 volume=0.128 peak=220 ppm1=8.505 ppm2=6.584
assign ( resid 15 and name HB1
)
( resid 18 and name HN
) 4.3 2.5 0.9 volume=0.165 peak=1264 ppm1=2.698 ppm2=8.023
assign ( resid 5 and name HN
)
( resid 5 and name HA
) 3.1 1.3 0.6 volume=1.117 peak=432 ppm1=8.425 ppm2=4.626
assign ( resid 22 and name HD2
)
( resid 22 and name HB1
) 3.8 2.0 0.8 volume=0.378 peak=34 ppm1=6.850 ppm2=2.915
assign ( resid 7 and name HG2#
)
( resid 7 and name HN
) 3.1 1.3 0.6 volume=1.252 peak=1367 ppm1=0.657 ppm2=8.652
assign ( resid 22 and name HN
)
( resid 22 and name HB2
) 2.8 1.0 0.6 volume=2.058 peak=642 ppm1=7.368 ppm2=2.676
assign ( resid 4 and name HB2
)
( resid 4 and name HB1
) 2.6 0.8 0.5 volume=3.703 peak=1251 ppm1=2.734 ppm2=2.849
assign ( resid 5 and name HN
)
( resid 4 and name HN
) 4.4 2.6 0.9 volume=0.142 peak=302 ppm1=8.418 ppm2=7.732
assign ( resid 18 and name HB#
)
( resid 13 and name HD1 or resid 13 and name HD2
) 3.0 1.2 0.6 volume=1.391 peak=731 ppm1=1.503 ppm2=7.035
assign ( resid 28 and name HA2
)
( resid 28 and name HN
) 3.6 1.8 0.7 volume=0.517 peak=944 ppm1=3.889 ppm2=8.113
assign ( resid 21 and name HD2
)
( resid 21 and name HA
) 3.4 1.6 0.7 volume=0.732 peak=1581 ppm1=3.012 ppm2=3.824
assign ( resid 4 and name HB2
)
( resid 5 and name HN
) 4.2 2.4 0.8 volume=0.196 peak=1070 ppm1=2.735 ppm2=8.426
assign ( resid 15 and name HN
)
( resid 14 and name HN
) 3.7 1.9 0.7 volume=0.451 peak=390 ppm1=7.347 ppm2=8.959
assign ( resid 3 and name HB2
)
( resid 5 and name HG1#
or resid 5 and name HG2#
) 4.1 2.3 0.8 volume=0.229 peak=995 ppm1=1.913 ppm2=0.653
assign ( resid 22 and name HD2
)
( resid 22 and name HB2
) 3.4 1.6 0.7 volume=0.702 peak=71 ppm1=6.851 ppm2=2.719
assign ( resid 26 and name HN
)
( resid 25 and name HN
) 3.2 1.4 0.6 volume=1.066 peak=359 ppm1=7.275 ppm2=7.682
assign ( resid 7 and name HB
)
( resid 7 and name HN
) 3.5 1.7 0.7 volume=0.565 peak=1666 ppm1=1.716 ppm2=8.662
assign ( resid 8 and name HB2
)
( resid 26 and name HB1
) 4.2 2.4 0.8 volume=0.195 peak=672 ppm1=1.805 ppm2=2.513
assign ( resid 8 and name HB1
)
( resid 26 and name HD2
) 4.5 2.7 0.9 volume=0.123 peak=1542 ppm1=2.249 ppm2=6.563
assign ( resid 10 and name HG2
or resid 10 and name HG1
)
( resid 10 and name HE22
) 4.2 2.4 0.8 volume=0.202 peak=839 ppm1=2.122 ppm2=6.362
assign ( resid 3 and name HB1
)
( resid 3 and name HA
) 3.6 1.8 0.7 volume=0.479 peak=910 ppm1=1.230 ppm2=4.167
assign ( resid 5 and name HN
)
( resid 19 and name HD2#
) 3.2 1.4 0.6 volume=0.931 peak=466 ppm1=8.424 ppm2=0.913
assign ( resid 26 and name HD2
)
( resid 8 and name HB1
) 3.7 1.9 0.7 volume=0.430 peak=76 ppm1=6.570 ppm2=2.213
assign ( resid 28 and name HA1
)
( resid 28 and name HN
) 3.7 1.9 0.7 volume=0.419 peak=1429 ppm1=3.815 ppm2=8.113
assign ( resid 11 and name HN
)
( resid 11 and name HB1
) 2.9 1.1 0.6 volume=1.752 peak=515 ppm1=7.839 ppm2=1.197
assign ( resid 23 and name HN
)
( resid 23 and name HB
) 3.7 1.9 0.7 volume=0.452 peak=372 ppm1=8.260 ppm2=2.221
assign ( resid 22 and name HB1
)
( resid 22 and name HD2
) 3.5 1.7 0.7 volume=0.539 peak=742 ppm1=2.913 ppm2=6.841
assign ( resid 20 and name HG1
)
( resid 20 and name HA
) 3.7 1.9 0.7 volume=0.447 peak=928 ppm1=2.210 ppm2=3.789
assign ( resid 25 and name HG12
or resid 25 and name HG11
)
( resid 25 and name HN
) 3.6 1.8 0.7 volume=0.480 peak=683 ppm1=0.767 ppm2=7.688
assign ( resid 9 and name HB2
)
( resid 9 and name HB1
) 2.4 0.6 0.5 volume=5.599 peak=1554 ppm1=2.752 ppm2=3.328
assign ( resid 6 and name HB1
)
( resid 22 and name HD2
) 3.3 1.5 0.7 volume=0.855 peak=849 ppm1=3.286 ppm2=6.852
assign ( resid 24 and name HN
)
( resid 20 and name HA
) 3.7 1.9 0.7 volume=0.411 peak=511 ppm1=6.755 ppm2=3.778
assign ( resid 12 and name HG1
)
( resid 13 and name HN
) 4.5 2.7 0.9 volume=0.136 peak=1090 ppm1=2.261 ppm2=8.880
assign ( resid 7 and name HD1#
)
( resid 7 and name HA
) 3.7 1.9 0.7 volume=0.429 peak=1513 ppm1=0.600 ppm2=3.909
assign ( resid 11 and name HB2
)
( resid 11 and name HD1
) 4.0 2.2 0.8 volume=0.257 peak=1531 ppm1=1.380 ppm2=2.984
assign ( resid 8 and name HN
)
( resid 10 and name HN
) 4.1 2.3 0.8 volume=0.226 peak=479 ppm1=8.496 ppm2=8.174
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 16 and name HD2
) 3.7 1.9 0.7 volume=0.412 peak=85 ppm1=6.874 ppm2=3.627
assign ( resid 9 and name HN
)
( resid 8 and name HN
) 3.2 1.4 0.6 volume=0.938 peak=521 ppm1=7.940 ppm2=8.486
assign ( resid 30 and name HN
)
( resid 29 and name HB2
) 3.4 1.6 0.7 volume=0.743 peak=388 ppm1=8.075 ppm2=1.831
assign ( resid 12 and name HG1
)
( resid 12 and name HN
) 3.4 1.6 0.7 volume=0.644 peak=1689 ppm1=2.264 ppm2=7.874
assign ( resid 27 and name HA
)
( resid 27 and name HG2#
) 3.0 1.2 0.6 volume=1.577 peak=687 ppm1=4.155 ppm2=1.067
assign ( resid 9 and name HB2
)
( resid 8 and name HB1
) 4.5 2.7 0.9 volume=0.137 peak=1479 ppm1=2.747 ppm2=2.219
assign ( resid 10 and name HN
)
( resid 9 and name HN
) 2.7 0.9 0.5 volume=2.554 peak=393 ppm1=8.187 ppm2=7.945
assign ( resid 8 and name HB2
)
( resid 8 and name HB1
) 2.6 0.8 0.5 volume=3.288 peak=1021 ppm1=1.809 ppm2=2.198
assign ( resid 11 and name HN
)
( resid 11 and name HA
) 2.9 1.1 0.6 volume=1.647 peak=507 ppm1=7.842 ppm2=3.930
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 4 and name HB1
) 2.8 1.0 0.6 volume=2.444 peak=96 ppm1=6.874 ppm2=2.861
assign ( resid 26 and name HN
)
( resid 26 and name HB2
) 3.2 1.4 0.6 volume=1.004 peak=228 ppm1=7.270 ppm2=2.603
assign ( resid 9 and name HB1
)
( resid 9 and name HN
) 2.9 1.1 0.6 volume=1.750 peak=1417 ppm1=3.356 ppm2=7.937
assign ( resid 19 and name HA
)
( resid 22 and name HB2
) 3.4 1.6 0.7 volume=0.738 peak=1259 ppm1=3.025 ppm2=2.741
assign ( resid 29 and name HA
)
( resid 29 and name HG1
) 3.0 1.2 0.6 volume=1.355 peak=769 ppm1=4.058 ppm2=2.163
assign ( resid 29 and name HA
)
( resid 29 and name HN
) 3.5 1.7 0.7 volume=0.616 peak=710 ppm1=4.063 ppm2=7.885
assign ( resid 4 and name HN
)
( resid 3 and name HB2
) 4.0 2.2 0.8 volume=0.278 peak=110 ppm1=7.726 ppm2=1.886
assign ( resid 22 and name HB2
)
( resid 22 and name HN
) 2.9 1.1 0.6 volume=1.843 peak=1357 ppm1=2.720 ppm2=7.371
assign ( resid 27 and name HB
)
( resid 28 and name HN
) 4.3 2.5 0.9 volume=0.164 peak=984 ppm1=4.153 ppm2=8.155
assign ( resid 15 and name HB2
)
( resid 17 and name HN
) 4.3 2.5 0.9 volume=0.161 peak=763 ppm1=2.562 ppm2=8.246
assign ( resid 7 and name HA
)
( resid 7 and name HD1#
) 2.7 0.9 0.5 volume=3.014 peak=801 ppm1=3.940 ppm2=0.590
assign ( resid 22 and name HB1
)
( resid 19 and name HD1#
) 3.7 1.9 0.7 volume=0.432 peak=1139 ppm1=2.914 ppm2=0.777
assign ( resid 8 and name HN
)
( resid 7 and name HN
) 3.2 1.4 0.6 volume=1.077 peak=630 ppm1=8.502 ppm2=8.656
assign ( resid 19 and name HB2
)
( resid 19 and name HN
) 3.4 1.6 0.7 volume=0.674 peak=1675 ppm1=1.045 ppm2=6.799
assign ( resid 13 and name HB1
)
( resid 13 and name HB2
) 2.8 1.0 0.6 volume=2.255 peak=1217 ppm1=3.138 ppm2=2.548
assign ( resid 11 and name HN
)
( resid 11 and name HG2
or resid 11 and name HG1
) 3.2 1.4 0.6 volume=0.984 peak=531 ppm1=7.843 ppm2=1.730
assign ( resid 7 and name HG12
or resid 7 and name HG11
)
( resid 7 and name HD1#
) 2.4 0.6 0.5 volume=5.417 peak=896 ppm1=0.974 ppm2=0.595
assign ( resid 12 and name HE21
)
( resid 5 and name HG1#
or resid 5 and name HG2#
) 4.2 2.4 0.8 volume=0.196 peak=126 ppm1=7.490 ppm2=0.644
assign ( resid 5 and name HN
)
( resid 6 and name HN
) 4.2 2.4 0.8 volume=0.196 peak=548 ppm1=8.421 ppm2=8.992
assign ( resid 12 and name HG1
)
( resid 5 and name HG1#
) 3.5 1.7 0.7 volume=0.606 peak=1603 ppm1=2.263 ppm2=0.639
assign ( resid 13 and name HN
)
( resid 13 and name HA
) 3.2 1.4 0.6 volume=0.966 peak=303 ppm1=8.888 ppm2=4.484
assign ( resid 18 and name HN
)
( resid 18 and name HB#
) 2.9 1.1 0.6 volume=1.737 peak=311 ppm1=8.030 ppm2=1.472
assign ( resid 9 and name HB1
)
( resid 26 and name HE1
) 2.9 1.1 0.6 volume=1.724 peak=1493 ppm1=3.356 ppm2=7.929
assign ( resid 24 and name HG1
)
( resid 24 and name HN
) 3.4 1.6 0.7 volume=0.655 peak=1170 ppm1=1.653 ppm2=6.767
assign ( resid 26 and name HB1
)
( resid 26 and name HN
) 3.7 1.9 0.7 volume=0.425 peak=1228 ppm1=2.529 ppm2=7.284
assign ( resid 18 and name HB#
)
( resid 19 and name HN
) 3.2 1.4 0.6 volume=1.028 peak=1382 ppm1=1.503 ppm2=6.809
assign ( resid 26 and name HN
)
( resid 25 and name HG2#
) 3.5 1.7 0.7 volume=0.566 peak=153 ppm1=7.270 ppm2=0.453
assign ( resid 12 and name HN
)
( resid 11 and name HB1
) 3.1 1.3 0.6 volume=1.261 peak=453 ppm1=7.859 ppm2=1.184
assign ( resid 22 and name HN
)
( resid 18 and name HB#
) 3.3 1.5 0.7 volume=0.855 peak=554 ppm1=7.378 ppm2=1.499
assign ( resid 3 and name HB1
)
( resid 5 and name HG1#
or resid 5 and name HG2#
) 4.2 2.4 0.8 volume=0.209 peak=1615 ppm1=1.225 ppm2=0.652
assign ( resid 19 and name HN
)
( resid 21 and name HN
) 3.9 2.1 0.8 volume=0.297 peak=321 ppm1=6.800 ppm2=7.719
assign ( resid 11 and name HA
)
( resid 11 and name HN
) 2.4 0.6 0.5 volume=5.123 peak=1334 ppm1=3.953 ppm2=7.866
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 5 and name HN
) 4.0 2.2 0.8 volume=0.258 peak=41 ppm1=6.874 ppm2=8.438
assign ( resid 20 and name HA
)
( resid 20 and name HB1
) 2.8 1.0 0.6 volume=2.051 peak=1269 ppm1=3.803 ppm2=2.017
assign ( resid 18 and name HA
)
( resid 18 and name HB#
) 2.5 0.7 0.5 volume=4.172 peak=1183 ppm1=3.857 ppm2=1.480
assign ( resid 29 and name HB2
)
( resid 29 and name HA
) 3.3 1.5 0.7 volume=0.775 peak=1244 ppm1=1.846 ppm2=4.035
assign ( resid 12 and name HA
)
( resid 12 and name HG2
) 4.6 2.8 0.9 volume=0.113 peak=924 ppm1=4.870 ppm2=2.022
assign ( resid 19 and name HN
)
( resid 18 and name HN
) 2.9 1.1 0.6 volume=1.839 peak=169 ppm1=6.802 ppm2=8.013
assign ( resid 26 and name HN
)
( resid 26 and name HA
) 3.4 1.6 0.7 volume=0.727 peak=560 ppm1=7.269 ppm2=4.559
assign ( resid 9 and name HN
)
( resid 8 and name HB1
) 3.5 1.7 0.7 volume=0.553 peak=306 ppm1=7.936 ppm2=2.207
assign ( resid 8 and name HN
)
( resid 7 and name HB
) 3.2 1.4 0.6 volume=0.954 peak=601 ppm1=8.500 ppm2=1.709
assign ( resid 14 and name HN
)
( resid 15 and name HN
) 4.4 2.6 0.9 volume=0.145 peak=327 ppm1=8.965 ppm2=7.356
assign ( resid 8 and name HA
)
( resid 8 and name HN
) 3.6 1.8 0.7 volume=0.459 peak=1142 ppm1=4.252 ppm2=8.515
assign ( resid 4 and name HD1 or resid 4 and name HD2
)
( resid 4 and name HN
) 3.3 1.5 0.7 volume=0.889 peak=60 ppm1=6.873 ppm2=7.729
assign ( resid 12 and name HE22
)
( resid 12 and name HG1
) 3.8 2.0 0.8 volume=0.352 peak=253 ppm1=6.636 ppm2=2.218
assign ( resid 3 and name HB2
)
( resid 4 and name HN
) 4.3 2.5 0.9 volume=0.171 peak=1199 ppm1=1.908 ppm2=7.727
assign ( resid 22 and name HB1
)
( resid 23 and name HA
) 3.7 1.9 0.7 volume=0.424 peak=946 ppm1=2.906 ppm2=3.515
assign ( resid 18 and name HN
)
( resid 17 and name HN
) 3.2 1.4 0.6 volume=0.999 peak=382 ppm1=8.028 ppm2=8.248
assign ( resid 29 and name HB2
)
( resid 29 and name HN
) 3.3 1.5 0.7 volume=0.791 peak=708 ppm1=1.895 ppm2=7.885
assign ( resid 16 and name HD2
)
( resid 17 and name HN
) 3.8 2.0 0.8 volume=0.364 peak=1587 ppm1=3.651 ppm2=8.258
assign ( resid 13 and name HB1
)
( resid 13 and name HD1 or resid 13 and name HD2
) 3.2 1.4 0.6 volume=1.069 peak=1254 ppm1=3.135 ppm2=7.032
assign ( resid 12 and name HE21
)
( resid 12 and name HG1
) 3.4 1.6 0.7 volume=0.710 peak=450 ppm1=7.495 ppm2=2.219
assign ( resid 8 and name HB2
)
( resid 26 and name HD2
) 4.2 2.4 0.8 volume=0.208 peak=1477 ppm1=1.801 ppm2=6.562
assign ( resid 19 and name HN
)
( resid 16 and name HA
) 3.4 1.6 0.7 volume=0.672 peak=340 ppm1=6.804 ppm2=3.451
assign ( resid 19 and name HA
)
( resid 19 and name HD1#
) 3.0 1.2 0.6 volume=1.425 peak=1364 ppm1=3.022 ppm2=0.790
assign ( resid 23 and name HA
)
( resid 23 and name HG2#
or resid 23 and name HG1#
) 2.8 1.0 0.6 volume=2.100 peak=17 ppm1=3.504 ppm2=1.208
assign ( resid 23 and name HN
)
( resid 23 and name HG2#
or resid 23 and name HG1#
) 3.1 1.3 0.6 volume=1.312 peak=4 ppm1=8.262 ppm2=1.232
assign ( resid 23 and name HG2#
or resid 23 and name HG1#
)
( resid 19 and name HD1#
) 2.9 1.1 0.6 volume=2.002 peak=11 ppm1=1.236 ppm2=0.809
assign ( resid 23 and name HG2#
or resid 23 and name HG1#
)
( resid 22 and name HB2
) 3.6 1.8 0.7 volume=0.457 peak=25 ppm1=1.237 ppm2=2.729
assign ( resid 7 and name HD1#
)
( resid 23 and name HG2#
or resid 23 and name HG1#
) 3.7 1.9 0.7 volume=0.417 peak=12 ppm1=0.598 ppm2=1.230
assign ( resid 23 and name HB
)
( resid 23 and name HG2#
or resid 23 and name HG1#
) 2.8 1.0 0.6 volume=2.324 peak=10 ppm1=2.247 ppm2=1.214
assign ( resid 23 and name HG2#
or resid 23 and name HG1#
)
( resid 23 and name HN
) 3.0 1.2 0.6 volume=1.509 peak=18 ppm1=1.239 ppm2=8.271
assign ( resid 23 and name HG2#
or resid 23 and name HG1#
)
( resid 20 and name HA
) 3.2 1.4 0.6 volume=1.039 peak=8 ppm1=1.243 ppm2=3.771
assign ( resid 23 and name HG2#
or resid 23 and name HG1#
)
( resid 23 and name HB
) 2.7 0.9 0.5 volume=3.008 peak=20 ppm1=1.238 ppm2=2.221
assign ( resid 23 and name HG2#
or resid 23 and name HG1#
)
( resid 24 and name HN
) 2.9 1.1 0.6 volume=1.632 peak=22 ppm1=1.235 ppm2=6.777
assign ( resid 22 and name HD2
)
( resid 23 and name HG2#
or resid 23 and name HG1#
) 3.1 1.3 0.6 volume=1.254 peak=1 ppm1=6.854 ppm2=1.228
assign ( resid 23 and name HG2#
or resid 23 and name HG1#
)
( resid 22 and name HN
) 3.9 2.1 0.8 volume=0.316 peak=13 ppm1=1.237 ppm2=7.363
assign ( resid 23 and name HG2#
or resid 23 and name HG1#
)
( resid 7 and name HN
) 4.2 2.4 0.8 volume=0.194 peak=7 ppm1=1.235 ppm2=8.660
assign ( resid 23 and name HG2#
or resid 23 and name HG1#
)
( resid 8 and name HN
) 3.9 2.1 0.8 volume=0.327 peak=23 ppm1=1.239 ppm2=8.487
assign ( resid 23 and name HG2#
or resid 23 and name HG1#
)
( resid 19 and name HA
) 3.8 2.0 0.8 volume=0.355 peak=9 ppm1=1.240 ppm2=2.997
assign ( resid 23 and name HG2#
or resid 23 and name HG1#
)
( resid 24 and name HA
) 3.9 2.1 0.8 volume=0.288 peak=15 ppm1=1.239 ppm2=3.961
assign ( resid 23 and name HG2#
or resid 23 and name HG1#
)
( resid 23 and name HA
) 3.0 1.2 0.6 volume=1.360 peak=21 ppm1=1.236 ppm2=3.485
assign ( resid 24 and name HN
)
( resid 23 and name HG2#
or resid 23 and name HG1#
) 3.5 1.7 0.7 volume=0.613 peak=5 ppm1=6.758 ppm2=1.211
assign ( resid 23 and name HG2#
or resid 23 and name HG1#
)
( resid 7 and name HB
) 3.3 1.5 0.7 volume=0.769 peak=24 ppm1=1.240 ppm2=1.715
assign ( resid 23 and name HG2#
or resid 23 and name HG1#
)
( resid 22 and name HD2
) 3.0 1.2 0.6 volume=1.501 peak=14 ppm1=1.235 ppm2=6.844
Contact the webmaster for help, if required. Monday, May 20, 2024 6:57:18 AM GMT (wattos1)