NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
9885 |
1ow5   |
cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
! spectrum: motherc-run21.xpk
! using intensity strong threshold of 5.00
! using intensity medium threshold of 3.50
!
! using strong restraint of 2.90
! using medium restraint of 3.50
! using weak restraint of 5.50
assign ( resid 9 and name HA )
( resid 10 and name HN )
3.50 1.70 0.00 peak 0 volume 3.990 ppm1 4.655 ppm2 8.529
assign ( resid 14 and name HA )
( resid 14 and name HN )
4.00 2.20 0.00 peak 1 volume 3.655 ppm1 4.656 ppm2 8.341
assign ( resid 15 and name HA )
( resid 15 and name HN )
3.40 1.60 0.00 peak 2 volume 16.663 ppm1 4.658 ppm2 8.133
assign ( resid 9 and name HA )
( resid 9 and name HB1 )
3.40 1.60 0.00 peak 3 volume 16.961 ppm1 4.656 ppm2 2.729
assign ( resid 14 and name HA )
( resid 14 and name HB2 )
3.40 1.60 0.00 peak 4 volume 6.945 ppm1 4.657 ppm2 2.608
assign ( resid 10 and name HA )
( resid 11 and name HN )
2.90 1.10 0.00 peak 5 volume 5.196 ppm1 4.266 ppm2 8.439
assign ( resid 10 and name HA )
( resid 10 and name HG1 )
4.00 2.20 0.00 peak 6 volume 4.366 ppm1 4.266 ppm2 2.283
assign ( resid 10 and name HA )
( resid 10 and name HB1 )
3.40 1.60 0.00 peak 7 volume 7.910 ppm1 4.265 ppm2 2.065
assign ( resid 11 and name HA )
( resid 11 and name HN )
6.00 4.20 0.00 peak 8 volume 1.631 ppm1 4.392 ppm2 8.439
assign ( resid 11 and name HA )
( resid 12 and name HN )
5.50 3.70 0.00 peak 9 volume 3.236 ppm1 4.385 ppm2 8.171
assign ( resid 11 and name HA )
( resid 11 and name HB1 )
6.00 4.20 0.00 peak 10 volume 2.700 ppm1 4.393 ppm2 1.445
assign ( resid 12 and name HA )
( resid 12 and name HG2# )
3.70 1.90 0.00 peak 11 volume 6.000 ppm1 4.344 ppm2 1.201
assign ( resid 12 and name HA )
( resid 12 and name HN )
3.40 1.60 0.00 peak 12 volume 5.151 ppm1 4.348 ppm2 8.120
assign ( resid 12 and name HA )
( resid 13 and name HN )
5.50 3.70 0.00 peak 13 volume 2.074 ppm1 4.345 ppm2 8.436
assign ( resid 33 and name HA )
( resid 36 and name HN )
5.50 3.70 0.00 peak 14 volume 1.588 ppm1 4.347 ppm2 8.655
assign ( resid 15 and name HA )
( resid 15 and name HN )
3.40 1.60 0.00 peak 15 volume 16.663 ppm1 4.658 ppm2 8.133
assign ( resid 14 and name HA )
( resid 14 and name HN )
4.00 2.20 0.00 peak 16 volume 3.655 ppm1 4.656 ppm2 8.341
assign ( resid 9 and name HA )
( resid 10 and name HN )
3.50 1.70 0.00 peak 17 volume 3.990 ppm1 4.655 ppm2 8.529
assign ( resid 9 and name HA )
( resid 10 and name HN )
3.50 1.70 0.00 peak 18 volume 3.990 ppm1 4.655 ppm2 8.529
assign ( resid 14 and name HA )
( resid 14 and name HN )
4.00 2.20 0.00 peak 19 volume 3.655 ppm1 4.656 ppm2 8.341
assign ( resid 15 and name HA )
( resid 15 and name HN )
3.40 1.60 0.00 peak 20 volume 16.663 ppm1 4.658 ppm2 8.133
assign ( resid 16 and name HA )
( resid 16 and name HB1 )
6.00 4.20 0.00 peak 22 volume 2.259 ppm1 4.563 ppm2 1.961
assign ( resid 16 and name HA )
( resid 16 and name HG* )
6.00 4.20 0.00 peak 23 volume 1.717 ppm1 4.564 ppm2 2.170
assign ( resid 16 and name HA )
( resid 16 and name HB2 )
4.00 2.20 0.00 peak 24 volume 3.795 ppm1 4.564 ppm2 2.442
assign ( resid 16 and name HA )
( resid 17 and name HN )
5.50 3.70 0.00 peak 26 volume 2.917 ppm1 4.564 ppm2 9.153
assign ( resid 18 and name HA )
( resid 18 and name HN )
6.00 4.20 0.00 peak 27 volume 2.259 ppm1 3.571 ppm2 8.273
assign ( resid 18 and name HA )
( resid 21 and name HN )
5.50 3.70 0.00 peak 28 volume 1.683 ppm1 3.571 ppm2 8.089
assign ( resid 18 and name HA )
( resid 21 and name HD% )
5.50 3.70 0.00 peak 29 volume 2.235 ppm1 3.571 ppm2 6.944
OR { 29 }
( resid 18 and name HA )
( resid 21 and name HD% )
OR { 29 }
( resid 18 and name HA )
( resid 17 and name HD% )
assign ( resid 18 and name HA )
( resid 21 and name HB* )
5.50 3.70 0.00 peak 30 volume 2.678 ppm1 3.573 ppm2 2.673
assign ( resid 18 and name HA )
( resid 21 and name HB* )
5.50 3.70 0.00 peak 31 volume 4.880 ppm1 3.572 ppm2 2.279
assign ( resid 18 and name HA )
( resid 18 and name HG1# )
6.30 4.50 0.00 peak 32 volume 2.205 ppm1 3.571 ppm2 1.025
assign ( resid 18 and name HA )
( resid 18 and name HG2# )
4.30 2.50 0.00 peak 33 volume 4.948 ppm1 3.571 ppm2 0.855
assign ( resid 18 and name HA )
( resid 45 and name HD1# )
5.80 4.00 0.00 peak 34 volume 1.972 ppm1 3.571 ppm2 0.517
assign ( resid 23 and name HA )
( resid 23 and name HN )
4.00 2.20 0.00 peak 35 volume 4.404 ppm1 3.934 ppm2 8.306
assign ( resid 19 and name HA )
( resid 22 and name HN )
5.50 3.70 0.00 peak 36 volume 1.348 ppm1 3.932 ppm2 7.946
assign ( resid 19 and name HA )
( resid 19 and name HN )
6.00 4.20 0.00 peak 37 volume 1.235 ppm1 3.918 ppm2 7.217
assign ( resid 23 and name HA )
( resid 23 and name HG* )
4.00 2.20 0.00 peak 38 volume 4.509 ppm1 3.930 ppm2 2.358
assign ( resid 23 and name HA )
( resid 28 and name HG2# )
3.20 1.40 0.00 peak 39 volume 7.715 ppm1 3.935 ppm2 1.269
assign ( resid 19 and name HA )
( resid 31 and name HD1# )
3.80 2.00 0.00 peak 40 volume 4.415 ppm1 3.915 ppm2 0.935
assign ( resid 20 and name HA )
( resid 23 and name HN )
5.50 3.70 0.00 peak 41 volume 2.127 ppm1 3.937 ppm2 8.308
assign ( resid 20 and name HA )
( resid 21 and name HN )
5.50 3.70 0.00 peak 42 volume 1.433 ppm1 3.938 ppm2 8.089
assign ( resid 20 and name HA )
( resid 20 and name HN )
6.00 4.20 0.00 peak 43 volume 2.686 ppm1 3.938 ppm2 7.091
assign ( resid 20 and name HA )
( resid 20 and name HB* )
3.40 1.60 0.00 peak 44 volume 6.849 ppm1 3.939 ppm2 1.545
assign ( resid 21 and name HA )
( resid 21 and name HN )
6.00 4.20 0.00 peak 45 volume 2.314 ppm1 3.798 ppm2 8.092
assign ( resid 21 and name HA )
( resid 21 and name HD% )
6.00 4.20 0.00 peak 46 volume 1.835 ppm1 3.795 ppm2 6.930
assign ( resid 21 and name HA )
( resid 21 and name HB* )
6.00 4.20 0.00 peak 47 volume 1.544 ppm1 3.812 ppm2 2.662
assign ( resid 23 and name HA )
( resid 23 and name HN )
4.00 2.20 0.00 peak 48 volume 4.404 ppm1 3.934 ppm2 8.306
assign ( resid 24 and name HA )
( resid 24 and name HN )
4.00 2.20 0.00 peak 49 volume 4.999 ppm1 3.995 ppm2 7.748
assign ( resid 23 and name HA )
( resid 28 and name HG2# )
3.20 1.40 0.00 peak 50 volume 7.715 ppm1 3.935 ppm2 1.269
assign ( resid 24 and name HA )
( resid 24 and name HN )
4.00 2.20 0.00 peak 51 volume 4.999 ppm1 3.995 ppm2 7.748
assign ( resid 24 and name HA )
( resid 25 and name HN )
5.50 3.70 0.00 peak 52 volume 1.217 ppm1 3.994 ppm2 6.745
assign ( resid 24 and name HA )
( resid 24 and name HG* )
6.00 4.20 0.00 peak 53 volume 3.210 ppm1 3.998 ppm2 2.439
assign ( resid 25 and name HA )
( resid 26 and name HN )
5.50 3.70 0.00 peak 54 volume 1.399 ppm1 4.536 ppm2 7.642
assign ( resid 25 and name HA )
( resid 25 and name HN )
6.00 4.20 0.00 peak 55 volume 1.444 ppm1 4.526 ppm2 6.752
assign ( resid 25 and name HA )
( resid 25 and name HB )
4.00 2.20 0.00 peak 56 volume 4.493 ppm1 4.528 ppm2 2.107
assign ( resid 25 and name HA )
( resid 25 and name HG2# )
3.70 1.90 0.00 peak 57 volume 5.717 ppm1 4.527 ppm2 0.706
assign ( resid 26 and name HA* )
( resid 27 and name HN )
5.50 3.70 0.00 peak 58 volume 1.356 ppm1 4.034 ppm2 8.319
assign ( resid 26 and name HA* )
( resid 26 and name HN )
4.00 2.20 0.00 peak 59 volume 3.880 ppm1 4.032 ppm2 7.635
assign ( resid 27 and name HA )
( resid 27 and name HN )
6.00 4.20 0.00 peak 60 volume 1.567 ppm1 5.198 ppm2 8.332
assign ( resid 27 and name HA )
( resid 28 and name HN )
5.50 3.70 0.00 peak 61 volume 2.044 ppm1 5.197 ppm2 7.960
assign ( resid 27 and name HA )
( resid 30 and name HD% )
5.50 3.70 0.00 peak 62 volume 1.228 ppm1 5.202 ppm2 7.338
assign ( resid 27 and name HA )
( resid 30 and name HE% )
5.50 3.70 0.00 peak 63 volume 0.913 ppm1 5.196 ppm2 6.960
assign ( resid 27 and name HA )
( resid 27 and name HB* )
6.00 4.20 0.00 peak 64 volume 2.314 ppm1 5.196 ppm2 3.513
assign ( resid 27 and name HA )
( resid 27 and name HB* )
6.00 4.20 0.00 peak 65 volume 1.306 ppm1 5.202 ppm2 2.400
assign ( resid 28 and name HA )
( resid 31 and name HN )
5.50 3.70 0.00 peak 66 volume 1.730 ppm1 3.644 ppm2 7.797
assign ( resid 28 and name HA )
( resid 28 and name HG2# )
4.30 2.50 0.00 peak 67 volume 4.486 ppm1 3.656 ppm2 1.261
assign ( resid 35 and name HA )
( resid 35 and name HG2# )
3.70 1.90 0.00 peak 68 volume 16.693 ppm1 3.585 ppm2 0.949
assign ( resid 29 and name HA )
( resid 30 and name HN )
5.50 3.70 0.00 peak 70 volume 1.675 ppm1 4.224 ppm2 7.079
assign ( resid 29 and name HA )
( resid 29 and name HN )
6.00 4.20 0.00 peak 71 volume 1.126 ppm1 4.227 ppm2 9.790
assign ( resid 72 and name HA )
( resid 72 and name HG* )
3.40 1.60 0.00 peak 72 volume 17.937 ppm1 4.230 ppm2 1.961
assign ( resid 29 and name HA )
( resid 29 and name HG* )
3.40 1.60 0.00 peak 73 volume 15.041 ppm1 4.227 ppm2 1.728
assign ( resid 29 and name HA )
( resid 29 and name HB* )
6.00 4.20 0.00 peak 74 volume 2.133 ppm1 4.228 ppm2 1.040
assign ( resid 25 and name HA )
( resid 26 and name HN )
5.50 3.70 0.00 peak 75 volume 1.399 ppm1 4.536 ppm2 7.642
assign ( resid 25 and name HA )
( resid 25 and name HN )
6.00 4.20 0.00 peak 76 volume 1.444 ppm1 4.526 ppm2 6.752
assign ( resid 25 and name HA )
( resid 25 and name HB )
4.00 2.20 0.00 peak 77 volume 4.493 ppm1 4.528 ppm2 2.107
assign ( resid 25 and name HA )
( resid 25 and name HG2# )
3.70 1.90 0.00 peak 78 volume 5.717 ppm1 4.527 ppm2 0.706
assign ( resid 30 and name HA )
( resid 30 and name HD% )
4.00 2.20 0.00 peak 79 volume 3.635 ppm1 5.051 ppm2 7.333
assign ( resid 30 and name HA )
( resid 30 and name HN )
6.00 4.20 0.00 peak 80 volume 1.567 ppm1 5.047 ppm2 7.078
assign ( resid 30 and name HA )
( resid 30 and name HB* )
6.00 4.20 0.00 peak 81 volume 2.432 ppm1 5.053 ppm2 3.728
assign ( resid 30 and name HA )
( resid 30 and name HB* )
6.00 4.20 0.00 peak 82 volume 1.822 ppm1 5.051 ppm2 2.639
assign ( resid 43 and name HA )
( resid 43 and name HN )
3.40 1.60 0.00 peak 83 volume 5.640 ppm1 3.829 ppm2 7.883
assign ( resid 43 and name HA )
( resid 44 and name HN )
5.50 3.70 0.00 peak 84 volume 1.879 ppm1 3.830 ppm2 7.247
assign ( resid 43 and name HA )
( resid 43 and name HB* )
3.40 1.60 0.00 peak 85 volume 13.175 ppm1 3.827 ppm2 1.947
assign ( resid 32 and name HA )
( resid 32 and name HN )
3.40 1.60 0.00 peak 86 volume 5.032 ppm1 4.429 ppm2 8.797
assign ( resid 51 and name HA )
( resid 52 and name HN )
5.50 3.70 0.00 peak 87 volume 3.178 ppm1 4.425 ppm2 8.659
assign ( resid 32 and name HA )
( resid 35 and name HN )
5.50 3.70 0.00 peak 88 volume 2.460 ppm1 4.430 ppm2 8.431
assign ( resid 51 and name HA )
( resid 54 and name HN )
5.50 3.70 0.00 peak 89 volume 2.003 ppm1 4.425 ppm2 8.344
assign ( resid 32 and name HA )
( resid 33 and name HN )
5.50 3.70 0.00 peak 90 volume 2.351 ppm1 4.430 ppm2 8.111
assign ( resid 51 and name HA )
( resid 51 and name HN )
4.00 2.20 0.00 peak 91 volume 4.246 ppm1 4.424 ppm2 7.967
assign ( resid 51 and name HA )
( resid 55 and name HN )
5.50 3.70 0.00 peak 92 volume 1.364 ppm1 4.423 ppm2 7.812
assign ( resid 32 and name HA )
( resid 32 and name HB* )
3.40 1.60 0.00 peak 93 volume 12.994 ppm1 4.427 ppm2 2.729
assign ( resid 32 and name HA )
( resid 35 and name HD1# )
5.80 4.00 0.00 peak 94 volume 11.329 ppm1 4.425 ppm2 0.882
assign ( resid 34 and name HA )
( resid 35 and name HN )
5.50 3.70 0.00 peak 95 volume 1.311 ppm1 4.019 ppm2 8.435
assign ( resid 34 and name HA )
( resid 34 and name HN )
4.00 2.20 0.00 peak 96 volume 4.073 ppm1 4.019 ppm2 8.125
assign ( resid 34 and name HA )
( resid 34 and name HD% )
6.00 4.20 0.00 peak 97 volume 3.207 ppm1 4.024 ppm2 7.717
assign ( resid 34 and name HA )
( resid 34 and name HB* )
4.00 2.20 0.00 peak 98 volume 4.587 ppm1 4.025 ppm2 3.478
assign ( resid 34 and name HA )
( resid 37 and name HB* )
5.50 3.70 0.00 peak 99 volume 1.081 ppm1 4.019 ppm2 2.676
assign ( resid 34 and name HA )
( resid 56 and name HD2# )
3.80 2.00 0.00 peak 100 volume 4.633 ppm1 4.017 ppm2 0.400
assign ( resid 35 and name HA )
( resid 35 and name HN )
6.00 4.20 0.00 peak 101 volume 1.587 ppm1 3.591 ppm2 8.439
assign ( resid 35 and name HA )
( resid 35 and name HB )
6.00 4.20 0.00 peak 102 volume 1.643 ppm1 3.584 ppm2 2.088
assign ( resid 36 and name HA )
( resid 36 and name HN )
4.00 2.20 0.00 peak 103 volume 4.083 ppm1 4.127 ppm2 8.656
assign ( resid 36 and name HA )
( resid 36 and name HG* )
4.00 2.20 0.00 peak 104 volume 4.554 ppm1 4.128 ppm2 2.583
assign ( resid 37 and name HA )
( resid 37 and name HB* )
4.00 2.20 0.00 peak 105 volume 3.625 ppm1 4.559 ppm2 2.677
assign ( resid 37 and name HA )
( resid 37 and name HB* )
3.40 1.60 0.00 peak 106 volume 5.575 ppm1 4.558 ppm2 3.031
assign ( resid 37 and name HA )
( resid 37 and name HN )
6.00 4.20 0.00 peak 107 volume 3.471 ppm1 4.559 ppm2 7.340
assign ( resid 37 and name HA )
( resid 38 and name HN )
5.50 3.70 0.00 peak 108 volume 2.182 ppm1 4.559 ppm2 8.165
assign ( resid 38 and name HA )
( resid 38 and name HN )
3.40 1.60 0.00 peak 109 volume 8.881 ppm1 4.282 ppm2 8.173
assign ( resid 38 and name HA )
( resid 38 and name HB* )
6.00 4.20 0.00 peak 110 volume 3.145 ppm1 4.281 ppm2 2.774
assign ( resid 39 and name HA )
( resid 39 and name HD2# )
3.70 1.90 0.00 peak 111 volume 6.042 ppm1 4.558 ppm2 0.755
assign ( resid 39 and name HA )
( resid 39 and name HB* )
6.00 4.20 0.00 peak 112 volume 1.812 ppm1 4.569 ppm2 1.546
assign ( resid 39 and name HA )
( resid 40 and name HN )
2.90 1.10 0.00 peak 113 volume 6.050 ppm1 4.559 ppm2 7.631
assign ( resid 39 and name HA )
( resid 39 and name HN )
6.00 4.20 0.00 peak 114 volume 3.135 ppm1 4.561 ppm2 8.230
assign ( resid 42 and name HA )
( resid 42 and name HN )
6.00 4.20 0.00 peak 115 volume 2.147 ppm1 2.880 ppm2 8.798
assign ( resid 42 and name HA )
( resid 45 and name HN )
5.50 3.70 0.00 peak 116 volume 1.191 ppm1 2.872 ppm2 8.024
assign ( resid 42 and name HA )
( resid 43 and name HN )
5.50 3.70 0.00 peak 117 volume 1.190 ppm1 2.885 ppm2 7.890
assign ( resid 42 and name HA )
( resid 45 and name HB )
5.50 3.70 0.00 peak 118 volume 3.168 ppm1 2.880 ppm2 1.712
assign ( resid 42 and name HA )
( resid 42 and name HG* )
6.00 4.20 0.00 peak 119 volume 2.132 ppm1 2.880 ppm2 1.534
assign ( resid 42 and name HA )
( resid 42 and name HB* )
6.00 4.20 0.00 peak 120 volume 3.445 ppm1 2.877 ppm2 1.206
assign ( resid 42 and name HA )
( resid 45 and name HG2# )
5.80 4.00 0.00 peak 121 volume 1.458 ppm1 2.881 ppm2 0.221
assign ( resid 44 and name HA )
( resid 44 and name HN )
6.00 4.20 0.00 peak 122 volume 3.262 ppm1 4.233 ppm2 7.249
assign ( resid 44 and name HA )
( resid 45 and name HN )
5.50 3.70 0.00 peak 123 volume 1.066 ppm1 4.234 ppm2 8.017
assign ( resid 45 and name HA )
( resid 45 and name HN )
6.00 4.20 0.00 peak 124 volume 1.285 ppm1 3.642 ppm2 8.023
assign ( resid 45 and name HA )
( resid 48 and name HN )
5.50 3.70 0.00 peak 125 volume 0.909 ppm1 3.646 ppm2 7.274
assign ( resid 45 and name HA )
( resid 45 and name HB )
6.00 4.20 0.00 peak 126 volume 1.542 ppm1 3.639 ppm2 1.716
assign ( resid 45 and name HA )
( resid 48 and name HD1# )
5.80 4.00 0.00 peak 127 volume 3.232 ppm1 3.643 ppm2 1.060
assign ( resid 45 and name HA )
( resid 48 and name HD2# )
5.80 4.00 0.00 peak 128 volume 2.551 ppm1 3.642 ppm2 0.917
assign ( resid 45 and name HA )
( resid 39 and name HD2# )
5.80 4.00 0.00 peak 129 volume 1.076 ppm1 3.648 ppm2 0.757
assign ( resid 45 and name HA )
( resid 45 and name HD1# )
6.30 4.50 0.00 peak 130 volume 3.133 ppm1 3.641 ppm2 0.523
assign ( resid 45 and name HA )
( resid 45 and name HG2# )
6.30 4.50 0.00 peak 131 volume 3.073 ppm1 3.642 ppm2 0.224
assign ( resid 48 and name HA )
( resid 48 and name HN )
6.00 4.20 0.00 peak 132 volume 1.821 ppm1 4.056 ppm2 7.276
assign ( resid 48 and name HA )
( resid 49 and name HN )
2.90 1.10 0.00 peak 133 volume 5.183 ppm1 4.058 ppm2 6.831
assign ( resid 48 and name HA )
( resid 48 and name HB* )
6.00 4.20 0.00 peak 134 volume 1.314 ppm1 4.061 ppm2 2.318
assign ( resid 48 and name HA )
( resid 48 and name HB* )
6.00 4.20 0.00 peak 135 volume 2.154 ppm1 4.056 ppm2 1.904
assign ( resid 48 and name HA )
( resid 48 and name HD2# )
3.70 1.90 0.00 peak 136 volume 10.322 ppm1 4.057 ppm2 0.915
assign ( resid 49 and name HA )
( resid 68 and name HD2# )
3.80 2.00 0.00 peak 137 volume 4.319 ppm1 4.693 ppm2 0.674
assign ( resid 49 and name HA )
( resid 49 and name HB* )
3.40 1.60 0.00 peak 138 volume 5.471 ppm1 4.689 ppm2 2.778
assign ( resid 49 and name HA )
( resid 49 and name HB* )
3.40 1.60 0.00 peak 139 volume 5.499 ppm1 4.691 ppm2 3.157
assign ( resid 49 and name HA )
( resid 50 and name HN )
3.50 1.70 0.00 peak 140 volume 4.580 ppm1 4.686 ppm2 8.914
assign ( resid 54 and name HA )
( resid 55 and name HN )
5.50 3.70 0.00 peak 141 volume 1.340 ppm1 3.509 ppm2 7.799
assign ( resid 54 and name HA )
( resid 54 and name HN )
6.00 4.20 0.00 peak 142 volume 1.638 ppm1 3.509 ppm2 8.338
assign ( resid 55 and name HA )
( resid 55 and name HN )
3.40 1.60 0.00 peak 143 volume 10.068 ppm1 4.126 ppm2 7.810
assign ( resid 55 and name HA )
( resid 55 and name HB3 )
3.40 1.60 0.00 peak 144 volume 16.373 ppm1 4.123 ppm2 1.526
assign ( resid 56 and name HA )
( resid 56 and name HG )
6.00 4.20 0.00 peak 145 volume 3.316 ppm1 4.123 ppm2 0.894
assign ( resid 56 and name HA )
( resid 56 and name HD2# )
3.70 1.90 0.00 peak 146 volume 10.104 ppm1 4.146 ppm2 0.404
assign ( resid 58 and name HA )
( resid 59 and name HN )
2.90 1.10 0.00 peak 149 volume 5.832 ppm1 3.914 ppm2 8.128
assign ( resid 58 and name HA )
( resid 60 and name HN )
5.50 3.70 0.00 peak 150 volume 1.343 ppm1 3.909 ppm2 7.631
assign ( resid 58 and name HA )
( resid 30 and name HE% )
5.50 3.70 0.00 peak 151 volume 2.364 ppm1 3.914 ppm2 6.954
assign ( resid 58 and name HA )
( resid 58 and name HG1# )
4.30 2.50 0.00 peak 152 volume 4.951 ppm1 3.912 ppm2 0.483
assign ( resid 58 and name HA )
( resid 58 and name HG2# )
4.30 2.50 0.00 peak 153 volume 3.899 ppm1 3.915 ppm2 0.201
assign ( resid 50 and name HA )
( resid 50 and name HN )
6.00 4.20 0.00 peak 154 volume 2.807 ppm1 3.838 ppm2 8.915
assign ( resid 66 and name HA )
( resid 66 and name HN )
6.00 4.20 0.00 peak 155 volume 3.381 ppm1 4.004 ppm2 7.564
assign ( resid 66 and name HA )
( resid 69 and name HN )
5.50 3.70 0.00 peak 156 volume 1.482 ppm1 4.003 ppm2 8.391
assign ( resid 66 and name HA )
( resid 66 and name HB* )
3.40 1.60 0.00 peak 157 volume 7.697 ppm1 4.003 ppm2 1.805
assign ( resid 66 and name HA )
( resid 66 and name HG* )
4.00 2.20 0.00 peak 158 volume 3.649 ppm1 4.003 ppm2 1.508
assign ( resid 50 and name HA )
( resid 50 and name HB* )
6.00 4.20 0.00 peak 159 volume 2.581 ppm1 3.836 ppm2 1.427
assign ( resid 59 and name HA )
( resid 59 and name HB* )
3.40 1.60 0.00 peak 160 volume 8.780 ppm1 4.441 ppm2 2.857
assign ( resid 59 and name HA )
( resid 60 and name HN )
5.50 3.70 0.00 peak 161 volume 1.855 ppm1 4.441 ppm2 7.634
assign ( resid 59 and name HA )
( resid 59 and name HN )
6.00 4.20 0.00 peak 162 volume 1.552 ppm1 4.440 ppm2 8.137
assign ( resid 62 and name HA* )
( resid 65 and name HD1# )
5.80 4.00 0.00 peak 163 volume 1.953 ppm1 3.791 ppm2 0.923
assign ( resid 62 and name HA* )
( resid 65 and name HB* )
5.50 3.70 0.00 peak 164 volume 1.711 ppm1 3.797 ppm2 1.839
assign ( resid 62 and name HA* )
( resid 63 and name HN )
5.50 3.70 0.00 peak 165 volume 1.252 ppm1 3.795 ppm2 6.815
assign ( resid 62 and name HA* )
( resid 62 and name HN )
6.00 4.20 0.00 peak 166 volume 2.549 ppm1 3.804 ppm2 8.951
assign ( resid 63 and name HA )
( resid 66 and name HB* )
3.50 1.70 0.00 peak 167 volume 3.507 ppm1 4.609 ppm2 1.798
assign ( resid 63 and name HA )
( resid 66 and name HB* )
5.50 3.70 0.00 peak 168 volume 2.359 ppm1 4.603 ppm2 2.032
assign ( resid 63 and name HA )
( resid 63 and name HN )
6.00 4.20 0.00 peak 170 volume 2.472 ppm1 4.602 ppm2 6.813
assign ( resid 63 and name HA )
( resid 30 and name HE% )
5.50 3.70 0.00 peak 171 volume 1.395 ppm1 4.595 ppm2 6.961
assign ( resid 63 and name HA )
( resid 66 and name HN )
5.50 3.70 0.00 peak 172 volume 1.378 ppm1 4.614 ppm2 7.565
assign ( resid 70 and name HA )
( resid 71 and name HN )
5.50 3.70 0.00 peak 173 volume 1.700 ppm1 4.328 ppm2 9.142
assign ( resid 68 and name HA )
( resid 68 and name HD2# )
3.70 1.90 0.00 peak 174 volume 7.854 ppm1 4.341 ppm2 0.673
assign ( resid 69 and name HA )
( resid 69 and name HN )
6.00 4.20 0.00 peak 175 volume 3.261 ppm1 4.089 ppm2 8.395
assign ( resid 69 and name HA )
( resid 70 and name HN )
5.50 3.70 0.00 peak 176 volume 1.998 ppm1 4.088 ppm2 7.736
assign ( resid 69 and name HA )
( resid 69 and name HG* )
6.00 4.20 0.00 peak 177 volume 1.436 ppm1 4.091 ppm2 3.207
assign ( resid 69 and name HA )
( resid 69 and name HG* )
3.40 1.60 0.00 peak 178 volume 7.733 ppm1 4.090 ppm2 1.961
assign ( resid 69 and name HA )
( resid 69 and name HB2 )
3.40 1.60 0.00 peak 179 volume 5.767 ppm1 4.090 ppm2 1.664
assign ( resid 69 and name HA )
( resid 69 and name HB2 )
3.40 1.60 0.00 peak 180 volume 5.767 ppm1 4.090 ppm2 1.664
assign ( resid 72 and name HA )
( resid 74 and name HN )
5.50 3.70 0.00 peak 181 volume 4.442 ppm1 4.234 ppm2 7.750
assign ( resid 73 and name HA )
( resid 73 and name HN )
4.00 2.20 0.00 peak 182 volume 3.846 ppm1 4.387 ppm2 7.690
assign ( resid 73 and name HA )
( resid 73 and name HB* )
3.40 1.60 0.00 peak 183 volume 11.818 ppm1 4.387 ppm2 3.958
assign ( resid 74 and name HA )
( resid 74 and name HB* )
4.00 2.20 0.00 peak 184 volume 4.893 ppm1 4.645 ppm2 3.155
assign ( resid 74 and name HA )
( resid 74 and name HB* )
3.40 1.60 0.00 peak 185 volume 5.054 ppm1 4.652 ppm2 3.312
assign ( resid 74 and name HA )
( resid 74 and name HD% )
4.00 2.20 0.00 peak 186 volume 4.029 ppm1 4.654 ppm2 7.393
assign ( resid 74 and name HA )
( resid 74 and name HN )
6.00 4.20 0.00 peak 187 volume 2.653 ppm1 4.648 ppm2 7.715
assign ( resid 74 and name HA )
( resid 75 and name HN )
3.50 1.70 0.00 peak 188 volume 3.814 ppm1 4.655 ppm2 7.951
assign ( resid 75 and name HA )
( resid 75 and name HN )
4.00 2.20 0.00 peak 189 volume 3.945 ppm1 4.267 ppm2 7.950
assign ( resid 75 and name HA )
( resid 76 and name HN )
5.50 3.70 0.00 peak 190 volume 1.551 ppm1 4.258 ppm2 8.142
assign ( resid 78 and name HA )
( resid 78 and name HB1 )
6.00 4.20 0.00 peak 191 volume 2.168 ppm1 4.258 ppm2 1.468
assign ( resid 9 and name HB1 )
( resid 9 and name HN )
6.00 4.20 0.00 peak 192 volume 2.207 ppm1 2.734 ppm2 8.353
assign ( resid 14 and name HB1 )
( resid 15 and name HN )
5.50 3.70 0.00 peak 193 volume 2.052 ppm1 2.723 ppm2 8.131
assign ( resid 14 and name HB2 )
( resid 15 and name HN )
5.50 3.70 0.00 peak 194 volume 1.615 ppm1 2.578 ppm2 8.132
assign ( resid 14 and name HB2 )
( resid 14 and name HN )
6.00 4.20 0.00 peak 195 volume 1.688 ppm1 2.589 ppm2 8.337
assign ( resid 69 and name HB1 )
( resid 69 and name HN )
4.00 2.20 0.00 peak 196 volume 4.249 ppm1 1.977 ppm2 8.394
assign ( resid 69 and name HB1 )
( resid 70 and name HN )
5.50 3.70 0.00 peak 197 volume 2.235 ppm1 1.972 ppm2 7.732
assign ( resid 69 and name HB1 )
( resid 69 and name HA )
4.00 2.20 0.00 peak 198 volume 4.158 ppm1 1.976 ppm2 4.081
assign ( resid 46 and name HB* )
( resid 46 and name HN )
6.00 4.20 0.00 peak 199 volume 1.366 ppm1 1.450 ppm2 7.856
assign ( resid 46 and name HB* )
( resid 46 and name HA )
6.00 4.20 0.00 peak 200 volume 1.779 ppm1 1.454 ppm2 4.085
assign ( resid 11 and name HB1 )
( resid 11 and name HD1 )
3.40 1.60 0.00 peak 201 volume 7.259 ppm1 1.471 ppm2 1.873
assign ( resid 46 and name HB* )
( resid 46 and name HB* )
3.40 1.60 0.00 peak 202 volume 6.705 ppm1 1.451 ppm2 1.673
assign ( resid 46 and name HB* )
( resid 46 and name HG* )
6.00 4.20 0.00 peak 203 volume 1.246 ppm1 1.450 ppm2 1.090
assign ( resid 59 and name HB* )
( resid 59 and name HN )
4.00 2.20 0.00 peak 204 volume 3.825 ppm1 2.857 ppm2 8.134
assign ( resid 59 and name HB* )
( resid 59 and name HD2% )
4.00 2.20 0.00 peak 205 volume 4.580 ppm1 2.853 ppm2 7.646
assign ( resid 59 and name HB* )
( resid 59 and name HD2% )
6.00 4.20 0.00 peak 206 volume 1.339 ppm1 2.857 ppm2 7.033
assign ( resid 13 and name HB2 )
( resid 13 and name HA )
3.40 1.60 0.00 peak 207 volume 6.579 ppm1 2.853 ppm2 4.768
assign ( resid 59 and name HB* )
( resid 59 and name HA )
3.40 1.60 0.00 peak 208 volume 6.862 ppm1 2.859 ppm2 4.438
assign ( resid 16 and name HB2 )
( resid 17 and name HN )
5.50 3.70 0.00 peak 209 volume 1.241 ppm1 2.443 ppm2 9.158
assign ( resid 16 and name HB2 )
( resid 19 and name HN )
5.50 3.70 0.00 peak 210 volume 1.011 ppm1 2.434 ppm2 7.213
assign ( resid 16 and name HB2 )
( resid 16 and name HG* )
3.40 1.60 0.00 peak 211 volume 8.812 ppm1 2.443 ppm2 2.152
assign ( resid 16 and name HB2 )
( resid 16 and name HB1 )
3.40 1.60 0.00 peak 212 volume 14.738 ppm1 2.443 ppm2 1.952
assign ( resid 16 and name HB2 )
( resid 18 and name HG1# )
5.80 4.00 0.00 peak 213 volume 5.194 ppm1 2.444 ppm2 1.001
assign ( resid 16 and name HG* )
( resid 16 and name HA )
4.00 2.20 0.00 peak 214 volume 3.797 ppm1 2.176 ppm2 4.571
assign ( resid 16 and name HG* )
( resid 16 and name HB2 )
3.40 1.60 0.00 peak 215 volume 6.288 ppm1 2.174 ppm2 2.436
assign ( resid 16 and name HG* )
( resid 16 and name HB1 )
3.40 1.60 0.00 peak 216 volume 8.057 ppm1 2.175 ppm2 1.973
assign ( resid 16 and name HG* )
( resid 18 and name HG1# )
5.80 4.00 0.00 peak 217 volume 3.290 ppm1 2.173 ppm2 0.994
assign ( resid 17 and name HB* )
( resid 17 and name HN )
6.00 4.20 0.00 peak 218 volume 1.127 ppm1 3.326 ppm2 9.155
assign ( resid 17 and name HB* )
( resid 18 and name HN )
5.50 3.70 0.00 peak 219 volume 1.056 ppm1 3.325 ppm2 8.270
assign ( resid 17 and name HB* )
( resid 18 and name HN )
5.50 3.70 0.00 peak 220 volume 1.056 ppm1 3.325 ppm2 8.270
assign ( resid 34 and name HB* )
( resid 34 and name HD% )
6.00 4.20 0.00 peak 221 volume 1.649 ppm1 3.322 ppm2 7.715
assign ( resid 17 and name HB* )
( resid 17 and name HD% )
6.00 4.20 0.00 peak 222 volume 2.708 ppm1 3.327 ppm2 6.978
assign ( resid 18 and name HB )
( resid 18 and name HN )
6.00 4.20 0.00 peak 223 volume 0.827 ppm1 2.298 ppm2 8.268
assign ( resid 18 and name HB )
( resid 18 and name HA )
6.00 4.20 0.00 peak 224 volume 0.741 ppm1 2.292 ppm2 3.568
assign ( resid 18 and name HB )
( resid 18 and name HG1# )
6.30 4.50 0.00 peak 225 volume 1.097 ppm1 2.294 ppm2 1.020
assign ( resid 18 and name HB )
( resid 18 and name HG2# )
6.30 4.50 0.00 peak 226 volume 1.218 ppm1 2.292 ppm2 0.860
assign ( resid 18 and name HB )
( resid 45 and name HD1# )
5.80 4.00 0.00 peak 227 volume 0.508 ppm1 2.297 ppm2 0.517
assign ( resid 18 and name HG1# )
( resid 18 and name HN )
4.30 2.50 0.00 peak 228 volume 4.684 ppm1 1.028 ppm2 8.270
assign ( resid 18 and name HG1# )
( resid 19 and name HN )
5.80 4.00 0.00 peak 229 volume 2.736 ppm1 1.030 ppm2 7.223
assign ( resid 18 and name HG1# )
( resid 19 and name HA )
5.80 4.00 0.00 peak 230 volume 1.100 ppm1 1.033 ppm2 3.904
assign ( resid 18 and name HG1# )
( resid 18 and name HA )
6.30 4.50 0.00 peak 231 volume 2.270 ppm1 1.029 ppm2 3.564
assign ( resid 18 and name HG1# )
( resid 18 and name HB )
3.70 1.90 0.00 peak 232 volume 6.053 ppm1 1.029 ppm2 2.305
assign ( resid 18 and name HG1# )
( resid 16 and name HB1 )
5.80 4.00 0.00 peak 233 volume 2.231 ppm1 1.027 ppm2 1.962
assign ( resid 18 and name HG1# )
( resid 45 and name HD1# )
5.80 4.00 0.00 peak 234 volume 1.902 ppm1 1.029 ppm2 0.497
assign ( resid 18 and name HG2# )
( resid 18 and name HN )
6.30 4.50 0.00 peak 235 volume 2.523 ppm1 0.855 ppm2 8.273
assign ( resid 18 and name HG2# )
( resid 34 and name HD% )
3.80 2.00 0.00 peak 236 volume 4.021 ppm1 0.858 ppm2 7.704
assign ( resid 18 and name HG2# )
( resid 34 and name HE% )
5.80 4.00 0.00 peak 237 volume 3.193 ppm1 0.855 ppm2 6.961
assign ( resid 18 and name HG2# )
( resid 18 and name HA )
3.70 1.90 0.00 peak 238 volume 7.774 ppm1 0.854 ppm2 3.564
assign ( resid 18 and name HG2# )
( resid 18 and name HB )
3.70 1.90 0.00 peak 239 volume 8.665 ppm1 0.857 ppm2 2.291
assign ( resid 15 and name HB* )
( resid 15 and name HN )
4.00 2.20 0.00 peak 240 volume 3.985 ppm1 1.597 ppm2 8.128
assign ( resid 20 and name HB* )
( resid 20 and name HN )
6.00 4.20 0.00 peak 241 volume 3.088 ppm1 1.529 ppm2 7.089
assign ( resid 20 and name HG )
( resid 20 and name HA )
6.00 4.20 0.00 peak 244 volume 2.217 ppm1 1.550 ppm2 3.944
assign ( resid 21 and name HB* )
( resid 21 and name HN )
6.00 4.20 0.00 peak 245 volume 3.154 ppm1 2.250 ppm2 8.089
assign ( resid 21 and name HB* )
( resid 21 and name HD% )
6.00 4.20 0.00 peak 246 volume 2.481 ppm1 2.251 ppm2 6.935
assign ( resid 21 and name HB* )
( resid 21 and name HA )
6.00 4.20 0.00 peak 247 volume 2.225 ppm1 2.246 ppm2 3.791
assign ( resid 21 and name HB* )
( resid 18 and name HA )
5.50 3.70 0.00 peak 248 volume 1.944 ppm1 2.250 ppm2 3.565
assign ( resid 21 and name HB* )
( resid 21 and name HB* )
4.00 2.20 0.00 peak 249 volume 3.642 ppm1 2.253 ppm2 2.669
assign ( resid 22 and name HD1# )
( resid 22 and name HN )
6.30 4.50 0.00 peak 250 volume 1.736 ppm1 0.467 ppm2 7.940
assign ( resid 22 and name HD1# )
( resid 30 and name HD% )
5.80 4.00 0.00 peak 251 volume 1.240 ppm1 0.468 ppm2 7.334
assign ( resid 22 and name HD1# )
( resid 21 and name HD% )
3.20 1.40 0.00 peak 252 volume 5.415 ppm1 0.470 ppm2 6.959
OR { 252 }
( resid 22 and name HD1# )
( resid 21 and name HD% )
OR { 252 }
( resid 22 and name HD1# )
( resid 34 and name HE% )
assign ( resid 22 and name HD1# )
( resid 22 and name HA )
3.70 1.90 0.00 peak 253 volume 6.214 ppm1 0.469 ppm2 3.607
assign ( resid 22 and name HD1# )
( resid 22 and name HG )
3.70 1.90 0.00 peak 254 volume 5.046 ppm1 0.470 ppm2 1.808
assign ( resid 22 and name HD1# )
( resid 22 and name HG )
3.70 1.90 0.00 peak 255 volume 5.046 ppm1 0.470 ppm2 1.808
assign ( resid 22 and name HD1# )
( resid 67 and name HD1# )
3.20 1.40 0.00 peak 256 volume 5.808 ppm1 0.470 ppm2 0.866
assign ( resid 22 and name HD2# )
( resid 22 and name HG )
3.70 1.90 0.00 peak 257 volume 10.053 ppm1 0.801 ppm2 1.840
assign ( resid 25 and name HB )
( resid 25 and name HA )
3.40 1.60 0.00 peak 258 volume 5.620 ppm1 2.102 ppm2 4.524
assign ( resid 25 and name HB )
( resid 25 and name HG2# )
3.70 1.90 0.00 peak 259 volume 7.408 ppm1 2.101 ppm2 0.705
assign ( resid 25 and name HB )
( resid 25 and name HD1# )
4.30 2.50 0.00 peak 260 volume 4.347 ppm1 2.103 ppm2 0.403
assign ( resid 25 and name HG2# )
( resid 30 and name HE% )
5.80 4.00 0.00 peak 261 volume 1.037 ppm1 0.707 ppm2 6.948
assign ( resid 25 and name HG2# )
( resid 25 and name HN )
6.30 4.50 0.00 peak 262 volume 3.234 ppm1 0.706 ppm2 6.746
assign ( resid 25 and name HG2# )
( resid 25 and name HA )
3.70 1.90 0.00 peak 263 volume 10.340 ppm1 0.706 ppm2 4.526
assign ( resid 25 and name HG2# )
( resid 25 and name HB )
3.70 1.90 0.00 peak 264 volume 11.739 ppm1 0.707 ppm2 2.104
assign ( resid 25 and name HG2# )
( resid 22 and name HB* )
3.20 1.40 0.00 peak 265 volume 5.099 ppm1 0.707 ppm2 1.822
OR { 265 }
( resid 25 and name HG2# )
( resid 22 and name HB* )
OR { 265 }
( resid 25 and name HG2# )
( resid 66 and name HB* )
assign ( resid 25 and name HG2# )
( resid 60 and name HB* )
5.80 4.00 0.00 peak 266 volume 2.175 ppm1 0.707 ppm2 1.442
OR { 266 }
( resid 25 and name HG2# )
( resid 60 and name HB* )
OR { 266 }
( resid 25 and name HG2# )
( resid 70 and name HB* )
assign ( resid 25 and name HG2# )
( resid 25 and name HD1# )
3.70 1.90 0.00 peak 267 volume 12.394 ppm1 0.706 ppm2 0.405
assign ( resid 25 and name HD1# )
( resid 30 and name HE% )
5.80 4.00 0.00 peak 268 volume 0.960 ppm1 0.410 ppm2 6.959
OR { 268 }
( resid 25 and name HD1# )
( resid 30 and name HE% )
OR { 268 }
( resid 25 and name HD1# )
( resid 34 and name HE% )
OR { 268 }
( resid 25 and name HD1# )
( resid 21 and name HD% )
assign ( resid 25 and name HD1# )
( resid 25 and name HB )
6.30 4.50 0.00 peak 269 volume 2.484 ppm1 0.411 ppm2 2.117
assign ( resid 25 and name HD1# )
( resid 70 and name HB* )
5.80 4.00 0.00 peak 270 volume 1.750 ppm1 0.410 ppm2 1.808
OR { 270 }
( resid 25 and name HD1# )
( resid 70 and name HB* )
OR { 270 }
( resid 25 and name HD1# )
( resid 66 and name HB* )
OR { 270 }
( resid 25 and name HD1# )
( resid 22 and name HB* )
assign ( resid 25 and name HD1# )
( resid 67 and name HG2# )
5.80 4.00 0.00 peak 271 volume 2.158 ppm1 0.411 ppm2 1.171
assign ( resid 25 and name HD1# )
( resid 25 and name HG12 )
6.30 4.50 0.00 peak 272 volume 2.362 ppm1 0.411 ppm2 0.974
assign ( resid 25 and name HD1# )
( resid 25 and name HG2# )
4.30 2.50 0.00 peak 273 volume 4.365 ppm1 0.411 ppm2 0.711
assign ( resid 27 and name HB* )
( resid 25 and name HD1# )
5.80 4.00 0.00 peak 274 volume 2.393 ppm1 2.392 ppm2 0.456
assign ( resid 27 and name HB* )
( resid 27 and name HB* )
6.00 4.20 0.00 peak 275 volume 3.250 ppm1 2.398 ppm2 3.517
assign ( resid 27 and name HB* )
( resid 30 and name HD% )
5.50 3.70 0.00 peak 276 volume 1.627 ppm1 2.397 ppm2 7.333
assign ( resid 27 and name HB* )
( resid 27 and name HN )
6.00 4.20 0.00 peak 277 volume 1.209 ppm1 2.387 ppm2 8.309
assign ( resid 27 and name HB* )
( resid 27 and name HA )
6.00 4.20 0.00 peak 278 volume 1.044 ppm1 2.398 ppm2 5.194
assign ( resid 28 and name HG2# )
( resid 28 and name HN )
3.70 1.90 0.00 peak 279 volume 6.059 ppm1 1.268 ppm2 7.958
assign ( resid 28 and name HG2# )
( resid 23 and name HA )
3.20 1.40 0.00 peak 280 volume 11.112 ppm1 1.268 ppm2 3.934
assign ( resid 28 and name HG2# )
( resid 28 and name HA )
3.70 1.90 0.00 peak 281 volume 7.484 ppm1 1.267 ppm2 3.662
assign ( resid 28 and name HG2# )
( resid 23 and name HG* )
3.20 1.40 0.00 peak 282 volume 5.943 ppm1 1.267 ppm2 2.365
assign ( resid 48 and name HD1# )
( resid 34 and name HE% )
3.20 1.40 0.00 peak 283 volume 6.551 ppm1 1.045 ppm2 6.986
assign ( resid 48 and name HD1# )
( resid 48 and name HB* )
3.70 1.90 0.00 peak 284 volume 6.044 ppm1 1.046 ppm2 2.321
assign ( resid 48 and name HD1# )
( resid 48 and name HB* )
3.70 1.90 0.00 peak 285 volume 5.864 ppm1 1.046 ppm2 1.916
assign ( resid 29 and name HG* )
( resid 29 and name HE2% )
4.00 2.20 0.00 peak 286 volume 3.918 ppm1 1.683 ppm2 7.201
assign ( resid 29 and name HG* )
( resid 29 and name HA )
6.00 4.20 0.00 peak 287 volume 2.498 ppm1 1.681 ppm2 4.221
assign ( resid 21 and name HB* )
( resid 21 and name HN )
6.00 4.20 0.00 peak 288 volume 2.275 ppm1 2.667 ppm2 8.091
assign ( resid 30 and name HB* )
( resid 30 and name HD% )
6.00 4.20 0.00 peak 289 volume 2.500 ppm1 2.626 ppm2 7.329
assign ( resid 30 and name HB* )
( resid 30 and name HN )
6.00 4.20 0.00 peak 290 volume 1.571 ppm1 2.622 ppm2 7.061
assign ( resid 30 and name HB* )
( resid 30 and name HA )
6.00 4.20 0.00 peak 291 volume 1.696 ppm1 2.625 ppm2 5.051
assign ( resid 30 and name HB* )
( resid 30 and name HB* )
4.00 2.20 0.00 peak 292 volume 4.423 ppm1 2.630 ppm2 3.732
assign ( resid 21 and name HB* )
( resid 18 and name HA )
5.50 3.70 0.00 peak 293 volume 1.772 ppm1 2.670 ppm2 3.572
assign ( resid 30 and name HB* )
( resid 22 and name HD1# )
5.80 4.00 0.00 peak 294 volume 1.505 ppm1 2.624 ppm2 0.458
assign ( resid 31 and name HB* )
( resid 32 and name HN )
5.50 3.70 0.00 peak 295 volume 1.884 ppm1 2.026 ppm2 8.799
assign ( resid 31 and name HB* )
( resid 31 and name HN )
6.00 4.20 0.00 peak 296 volume 3.227 ppm1 2.031 ppm2 7.833
assign ( resid 31 and name HB* )
( resid 31 and name HA )
6.00 4.20 0.00 peak 297 volume 1.758 ppm1 2.031 ppm2 3.832
assign ( resid 31 and name HB* )
( resid 31 and name HD1# )
3.70 1.90 0.00 peak 298 volume 5.786 ppm1 2.030 ppm2 0.951
assign ( resid 31 and name HB* )
( resid 22 and name HD1# )
5.80 4.00 0.00 peak 299 volume 1.212 ppm1 2.028 ppm2 0.451
assign ( resid 32 and name HB* )
( resid 31 and name HB* )
5.50 3.70 0.00 peak 300 volume 1.309 ppm1 2.721 ppm2 2.037
assign ( resid 32 and name HB* )
( resid 36 and name HE2% )
5.50 3.70 0.00 peak 301 volume 1.382 ppm1 2.721 ppm2 6.814
assign ( resid 32 and name HB* )
( resid 32 and name HN )
3.40 1.60 0.00 peak 302 volume 7.431 ppm1 2.692 ppm2 8.797
assign ( resid 34 and name HB* )
( resid 35 and name HN )
5.50 3.70 0.00 peak 303 volume 1.198 ppm1 3.369 ppm2 8.436
assign ( resid 34 and name HB* )
( resid 34 and name HN )
6.00 4.20 0.00 peak 304 volume 2.227 ppm1 3.356 ppm2 8.124
assign ( resid 34 and name HB* )
( resid 34 and name HD% )
6.00 4.20 0.00 peak 305 volume 1.871 ppm1 3.370 ppm2 7.703
assign ( resid 34 and name HB* )
( resid 34 and name HA )
6.00 4.20 0.00 peak 306 volume 1.529 ppm1 3.354 ppm2 4.022
assign ( resid 35 and name HG2# )
( resid 36 and name HN )
5.80 4.00 0.00 peak 307 volume 2.613 ppm1 0.898 ppm2 8.665
assign ( resid 35 and name HG2# )
( resid 36 and name HN )
5.80 4.00 0.00 peak 308 volume 1.776 ppm1 0.947 ppm2 8.657
assign ( resid 35 and name HG2# )
( resid 35 and name HN )
6.30 4.50 0.00 peak 309 volume 1.914 ppm1 0.942 ppm2 8.440
assign ( resid 54 and name HG2# )
( resid 55 and name HN )
5.80 4.00 0.00 peak 310 volume 1.385 ppm1 0.899 ppm2 7.810
assign ( resid 35 and name HD1# )
( resid 36 and name HN )
5.80 4.00 0.00 peak 311 volume 1.412 ppm1 0.926 ppm2 8.662
assign ( resid 36 and name HB* )
( resid 36 and name HA )
3.40 1.60 0.00 peak 312 volume 13.482 ppm1 2.274 ppm2 4.126
assign ( resid 36 and name HB* )
( resid 33 and name HA )
2.90 1.10 0.00 peak 313 volume 5.685 ppm1 2.274 ppm2 4.350
assign ( resid 36 and name HB* )
( resid 37 and name HN )
3.50 1.70 0.00 peak 314 volume 4.033 ppm1 2.275 ppm2 7.340
assign ( resid 36 and name HB* )
( resid 36 and name HN )
3.40 1.60 0.00 peak 315 volume 12.264 ppm1 2.274 ppm2 8.656
assign ( resid 36 and name HG* )
( resid 36 and name HN )
6.00 4.20 0.00 peak 316 volume 8.537 ppm1 2.581 ppm2 8.656
assign ( resid 36 and name HG* )
( resid 36 and name HE2% )
6.00 4.20 0.00 peak 317 volume 2.869 ppm1 2.582 ppm2 7.598
assign ( resid 36 and name HG* )
( resid 37 and name HN )
5.50 3.70 0.00 peak 318 volume 1.749 ppm1 2.581 ppm2 7.342
assign ( resid 36 and name HG* )
( resid 36 and name HE2% )
6.00 4.20 0.00 peak 319 volume 1.767 ppm1 2.582 ppm2 6.857
assign ( resid 36 and name HG* )
( resid 33 and name HA )
5.50 3.70 0.00 peak 320 volume 3.089 ppm1 2.581 ppm2 4.356
assign ( resid 36 and name HG* )
( resid 36 and name HA )
3.40 1.60 0.00 peak 321 volume 9.929 ppm1 2.582 ppm2 4.126
assign ( resid 37 and name HB* )
( resid 56 and name HD2# )
5.80 4.00 0.00 peak 322 volume 3.038 ppm1 2.674 ppm2 0.398
assign ( resid 37 and name HB* )
( resid 39 and name HD1# )
5.80 4.00 0.00 peak 323 volume 1.596 ppm1 2.667 ppm2 0.635
assign ( resid 37 and name HB* )
( resid 39 and name HB* )
5.50 3.70 0.00 peak 324 volume 1.175 ppm1 2.678 ppm2 1.528
assign ( resid 37 and name HB* )
( resid 34 and name HA )
5.50 3.70 0.00 peak 325 volume 1.074 ppm1 2.670 ppm2 4.019
assign ( resid 37 and name HB* )
( resid 37 and name HA )
4.00 2.20 0.00 peak 326 volume 4.284 ppm1 2.673 ppm2 4.560
assign ( resid 37 and name HB* )
( resid 37 and name HB* )
3.40 1.60 0.00 peak 327 volume 16.285 ppm1 2.672 ppm2 3.030
assign ( resid 37 and name HB* )
( resid 37 and name HN )
4.00 2.20 0.00 peak 328 volume 4.421 ppm1 2.672 ppm2 7.341
assign ( resid 37 and name HB* )
( resid 38 and name HN )
5.50 3.70 0.00 peak 329 volume 1.319 ppm1 2.671 ppm2 8.173
assign ( resid 38 and name HB* )
( resid 38 and name HN )
4.00 2.20 0.00 peak 330 volume 3.621 ppm1 2.772 ppm2 8.166
assign ( resid 38 and name HB* )
( resid 38 and name HD2% )
6.00 4.20 0.00 peak 331 volume 3.367 ppm1 2.774 ppm2 7.640
assign ( resid 38 and name HB* )
( resid 38 and name HD2% )
6.00 4.20 0.00 peak 332 volume 1.503 ppm1 2.775 ppm2 6.847
assign ( resid 38 and name HB* )
( resid 38 and name HA )
3.40 1.60 0.00 peak 333 volume 7.301 ppm1 2.771 ppm2 4.274
assign ( resid 55 and name HB3 )
( resid 55 and name HA )
3.40 1.60 0.00 peak 334 volume 23.137 ppm1 1.526 ppm2 4.126
assign ( resid 39 and name HD1# )
( resid 39 and name HN )
6.30 4.50 0.00 peak 335 volume 1.546 ppm1 0.639 ppm2 8.215
assign ( resid 39 and name HD1# )
( resid 34 and name HD% )
5.80 4.00 0.00 peak 336 volume 1.494 ppm1 0.638 ppm2 7.699
assign ( resid 39 and name HD1# )
( resid 34 and name HE% )
5.80 4.00 0.00 peak 337 volume 1.078 ppm1 0.638 ppm2 6.997
assign ( resid 39 and name HD1# )
( resid 39 and name HA )
6.30 4.50 0.00 peak 338 volume 1.433 ppm1 0.640 ppm2 4.568
assign ( resid 39 and name HD1# )
( resid 34 and name HA )
5.80 4.00 0.00 peak 339 volume 1.683 ppm1 0.638 ppm2 4.024
assign ( resid 39 and name HD1# )
( resid 37 and name HB* )
5.80 4.00 0.00 peak 340 volume 1.595 ppm1 0.637 ppm2 3.035
assign ( resid 39 and name HD1# )
( resid 37 and name HB* )
5.80 4.00 0.00 peak 341 volume 1.295 ppm1 0.638 ppm2 2.676
assign ( resid 39 and name HD1# )
( resid 39 and name HB* )
3.70 1.90 0.00 peak 342 volume 8.170 ppm1 0.638 ppm2 1.529
assign ( resid 39 and name HD1# )
( resid 39 and name HG )
4.30 2.50 0.00 peak 343 volume 4.303 ppm1 0.638 ppm2 1.351
assign ( resid 39 and name HD1# )
( resid 56 and name HD2# )
5.80 4.00 0.00 peak 344 volume 4.711 ppm1 0.637 ppm2 0.402
assign ( resid 39 and name HD1# )
( resid 56 and name HD1# )
5.80 4.00 0.00 peak 345 volume 4.663 ppm1 0.637 ppm2 0.133
assign ( resid 39 and name HD2# )
( resid 34 and name HE% )
5.80 4.00 0.00 peak 346 volume 1.770 ppm1 0.761 ppm2 6.987
assign ( resid 39 and name HD2# )
( resid 39 and name HA )
3.70 1.90 0.00 peak 347 volume 10.730 ppm1 0.761 ppm2 4.562
assign ( resid 39 and name HD2# )
( resid 39 and name HB* )
3.70 1.90 0.00 peak 348 volume 10.063 ppm1 0.762 ppm2 1.507
assign ( resid 40 and name HB )
( resid 40 and name HG2# )
6.30 4.50 0.00 peak 349 volume 17.274 ppm1 2.350 ppm2 0.972
assign ( resid 40 and name HB )
( resid 40 and name HN )
6.00 4.20 0.00 peak 350 volume 2.252 ppm1 2.354 ppm2 7.634
assign ( resid 40 and name HB )
( resid 41 and name HN )
5.50 3.70 0.00 peak 351 volume 2.424 ppm1 2.348 ppm2 8.262
assign ( resid 41 and name HG2# )
( resid 42 and name HN )
5.80 4.00 0.00 peak 352 volume 1.717 ppm1 1.340 ppm2 8.804
assign ( resid 41 and name HG2# )
( resid 41 and name HB )
3.70 1.90 0.00 peak 353 volume 8.276 ppm1 1.339 ppm2 4.582
assign ( resid 43 and name HG* )
( resid 43 and name HN )
4.00 2.20 0.00 peak 354 volume 4.234 ppm1 2.331 ppm2 7.900
assign ( resid 43 and name HG* )
( resid 44 and name HN )
5.50 3.70 0.00 peak 355 volume 1.778 ppm1 2.332 ppm2 7.253
assign ( resid 43 and name HG* )
( resid 43 and name HA )
3.40 1.60 0.00 peak 356 volume 5.817 ppm1 2.332 ppm2 3.826
assign ( resid 44 and name HG* )
( resid 44 and name HN )
6.00 4.20 0.00 peak 357 volume 1.552 ppm1 2.291 ppm2 7.241
assign ( resid 44 and name HG* )
( resid 44 and name HA )
6.00 4.20 0.00 peak 358 volume 2.947 ppm1 2.298 ppm2 4.229
assign ( resid 45 and name HB )
( resid 45 and name HG2# )
3.70 1.90 0.00 peak 361 volume 5.904 ppm1 1.716 ppm2 0.222
assign ( resid 45 and name HB )
( resid 45 and name HD1# )
6.30 4.50 0.00 peak 362 volume 2.251 ppm1 1.716 ppm2 0.522
assign ( resid 45 and name HB )
( resid 42 and name HA )
5.50 3.70 0.00 peak 363 volume 2.124 ppm1 1.710 ppm2 2.875
assign ( resid 45 and name HB )
( resid 45 and name HA )
6.00 4.20 0.00 peak 364 volume 1.689 ppm1 1.716 ppm2 3.636
assign ( resid 45 and name HB )
( resid 46 and name HN )
5.50 3.70 0.00 peak 365 volume 1.532 ppm1 1.717 ppm2 7.855
assign ( resid 45 and name HB )
( resid 45 and name HN )
4.00 2.20 0.00 peak 366 volume 4.416 ppm1 1.714 ppm2 8.027
assign ( resid 45 and name HD1# )
( resid 45 and name HN )
6.30 4.50 0.00 peak 367 volume 1.558 ppm1 0.524 ppm2 8.037
assign ( resid 45 and name HD1# )
( resid 17 and name HD% )
3.20 1.40 0.00 peak 368 volume 5.921 ppm1 0.522 ppm2 6.981
OR { 368 }
( resid 45 and name HD1# )
( resid 17 and name HD% )
OR { 368 }
( resid 45 and name HD1# )
( resid 21 and name HD% )
assign ( resid 45 and name HD1# )
( resid 45 and name HA )
4.30 2.50 0.00 peak 369 volume 4.009 ppm1 0.523 ppm2 3.631
assign ( resid 45 and name HD1# )
( resid 45 and name HB )
6.30 4.50 0.00 peak 370 volume 2.599 ppm1 0.524 ppm2 1.720
assign ( resid 45 and name HD1# )
( resid 67 and name HD1# )
5.80 4.00 0.00 peak 371 volume 7.811 ppm1 0.523 ppm2 0.872
assign ( resid 46 and name HB* )
( resid 47 and name HN )
5.50 3.70 0.00 peak 372 volume 0.985 ppm1 1.445 ppm2 6.982
assign ( resid 50 and name HB* )
( resid 50 and name HA )
6.00 4.20 0.00 peak 373 volume 1.097 ppm1 1.439 ppm2 3.822
assign ( resid 46 and name HB* )
( resid 46 and name HE* )
6.00 4.20 0.00 peak 374 volume 1.145 ppm1 1.444 ppm2 2.723
assign ( resid 46 and name HB* )
( resid 46 and name HG* )
6.00 4.20 0.00 peak 375 volume 1.991 ppm1 1.443 ppm2 0.795
assign ( resid 46 and name HG* )
( resid 46 and name HN )
6.00 4.20 0.00 peak 376 volume 1.411 ppm1 1.078 ppm2 7.850
assign ( resid 46 and name HG* )
( resid 46 and name HE* )
6.00 4.20 0.00 peak 377 volume 1.423 ppm1 1.077 ppm2 2.734
assign ( resid 46 and name HE* )
( resid 46 and name HB* )
3.40 1.60 0.00 peak 379 volume 8.161 ppm1 2.728 ppm2 1.474
assign ( resid 46 and name HE* )
( resid 46 and name HG* )
6.00 4.20 0.00 peak 380 volume 2.397 ppm1 2.747 ppm2 1.072
assign ( resid 46 and name HE* )
( resid 46 and name HG* )
6.00 4.20 0.00 peak 381 volume 2.134 ppm1 2.749 ppm2 0.805
assign ( resid 47 and name HB* )
( resid 47 and name HA )
4.00 2.20 0.00 peak 382 volume 3.623 ppm1 2.654 ppm2 4.760
assign ( resid 47 and name HB* )
( resid 47 and name HN )
4.00 2.20 0.00 peak 383 volume 3.590 ppm1 2.654 ppm2 6.984
assign ( resid 47 and name HB* )
( resid 47 and name HD% )
4.00 2.20 0.00 peak 384 volume 4.244 ppm1 2.654 ppm2 7.274
assign ( resid 48 and name HD2# )
( resid 48 and name HN )
6.30 4.50 0.00 peak 385 volume 2.209 ppm1 0.916 ppm2 7.263
assign ( resid 20 and name HD1# )
( resid 17 and name HD% )
5.80 4.00 0.00 peak 386 volume 3.681 ppm1 0.913 ppm2 6.990
assign ( resid 48 and name HD2# )
( resid 49 and name HN )
5.80 4.00 0.00 peak 387 volume 2.389 ppm1 0.911 ppm2 6.842
assign ( resid 49 and name HB* )
( resid 50 and name HN )
5.50 3.70 0.00 peak 388 volume 3.130 ppm1 2.786 ppm2 8.914
assign ( resid 49 and name HB* )
( resid 49 and name HA )
3.40 1.60 0.00 peak 389 volume 5.671 ppm1 2.784 ppm2 4.690
assign ( resid 49 and name HB* )
( resid 49 and name HB* )
3.40 1.60 0.00 peak 390 volume 11.923 ppm1 2.784 ppm2 3.161
assign ( resid 43 and name HB* )
( resid 43 and name HN )
4.00 2.20 0.00 peak 391 volume 3.589 ppm1 1.955 ppm2 7.906
assign ( resid 43 and name HB* )
( resid 44 and name HN )
5.50 3.70 0.00 peak 392 volume 1.367 ppm1 1.957 ppm2 7.247
assign ( resid 69 and name HB1 )
( resid 69 and name HG* )
6.00 4.20 0.00 peak 393 volume 3.193 ppm1 1.976 ppm2 3.206
assign ( resid 51 and name HB* )
( resid 51 and name HA )
4.00 2.20 0.00 peak 394 volume 4.669 ppm1 2.598 ppm2 4.423
assign ( resid 53 and name HB* )
( resid 53 and name HN )
6.00 4.20 0.00 peak 395 volume 1.421 ppm1 2.021 ppm2 7.555
assign ( resid 53 and name HB* )
( resid 50 and name HA )
5.50 3.70 0.00 peak 396 volume 1.600 ppm1 2.019 ppm2 3.865
assign ( resid 53 and name HB* )
( resid 53 and name HD1# )
6.30 4.50 0.00 peak 397 volume 3.050 ppm1 2.022 ppm2 1.158
assign ( resid 53 and name HB* )
( resid 53 and name HD2# )
4.30 2.50 0.00 peak 398 volume 4.178 ppm1 2.022 ppm2 0.929
assign ( resid 53 and name HD2# )
( resid 53 and name HN )
6.30 4.50 0.00 peak 399 volume 2.464 ppm1 0.987 ppm2 7.552
assign ( resid 67 and name HB )
( resid 68 and name HN )
5.50 3.70 0.00 peak 400 volume 1.189 ppm1 1.906 ppm2 8.581
assign ( resid 54 and name HB )
( resid 54 and name HN )
4.00 2.20 0.00 peak 401 volume 4.800 ppm1 1.893 ppm2 8.334
assign ( resid 67 and name HB )
( resid 67 and name HN )
6.00 4.20 0.00 peak 402 volume 2.558 ppm1 1.905 ppm2 8.128
assign ( resid 54 and name HB )
( resid 55 and name HN )
3.50 1.70 0.00 peak 403 volume 3.836 ppm1 1.893 ppm2 7.807
assign ( resid 54 and name HB )
( resid 51 and name HA )
5.50 3.70 0.00 peak 404 volume 2.797 ppm1 1.892 ppm2 4.420
assign ( resid 67 and name HB )
( resid 64 and name HA )
5.50 3.70 0.00 peak 405 volume 1.482 ppm1 1.895 ppm2 3.809
assign ( resid 54 and name HB )
( resid 54 and name HA )
6.00 4.20 0.00 peak 406 volume 2.785 ppm1 1.899 ppm2 3.522
assign ( resid 56 and name HB* )
( resid 56 and name HA )
6.00 4.20 0.00 peak 407 volume 3.223 ppm1 1.712 ppm2 4.140
assign ( resid 56 and name HB* )
( resid 56 and name HN )
4.00 2.20 0.00 peak 408 volume 3.750 ppm1 1.708 ppm2 7.814
assign ( resid 56 and name HB* )
( resid 56 and name HD2# )
6.30 4.50 0.00 peak 409 volume 2.342 ppm1 1.710 ppm2 0.402
assign ( resid 56 and name HB* )
( resid 56 and name HD1# )
6.30 4.50 0.00 peak 410 volume 3.400 ppm1 1.714 ppm2 0.141
assign ( resid 56 and name HD1# )
( resid 56 and name HN )
6.30 4.50 0.00 peak 411 volume 1.524 ppm1 0.133 ppm2 7.815
assign ( resid 56 and name HD1# )
( resid 34 and name HE% )
5.80 4.00 0.00 peak 412 volume 1.155 ppm1 0.133 ppm2 6.991
assign ( resid 56 and name HD1# )
( resid 56 and name HA )
6.30 4.50 0.00 peak 413 volume 1.414 ppm1 0.134 ppm2 4.144
assign ( resid 56 and name HD1# )
( resid 56 and name HB* )
3.70 1.90 0.00 peak 414 volume 7.639 ppm1 0.134 ppm2 1.718
assign ( resid 56 and name HD1# )
( resid 56 and name HG )
4.30 2.50 0.00 peak 415 volume 4.816 ppm1 0.133 ppm2 0.914
assign ( resid 56 and name HD1# )
( resid 39 and name HD1# )
5.80 4.00 0.00 peak 416 volume 2.510 ppm1 0.132 ppm2 0.635
assign ( resid 56 and name HD1# )
( resid 56 and name HD2# )
4.30 2.50 0.00 peak 417 volume 3.633 ppm1 0.135 ppm2 0.406
assign ( resid 56 and name HD2# )
( resid 56 and name HN )
6.30 4.50 0.00 peak 418 volume 1.504 ppm1 0.402 ppm2 7.815
assign ( resid 56 and name HD2# )
( resid 37 and name HB* )
5.80 4.00 0.00 peak 419 volume 1.574 ppm1 0.403 ppm2 3.032
assign ( resid 56 and name HD2# )
( resid 37 and name HB* )
5.80 4.00 0.00 peak 420 volume 2.295 ppm1 0.403 ppm2 2.673
assign ( resid 56 and name HD2# )
( resid 56 and name HB* )
3.70 1.90 0.00 peak 421 volume 6.368 ppm1 0.403 ppm2 1.718
assign ( resid 58 and name HB )
( resid 58 and name HN )
6.00 4.20 0.00 peak 422 volume 2.125 ppm1 1.816 ppm2 8.082
assign ( resid 58 and name HB )
( resid 58 and name HA )
6.00 4.20 0.00 peak 423 volume 1.699 ppm1 1.828 ppm2 3.909
assign ( resid 58 and name HB )
( resid 58 and name HG1# )
4.30 2.50 0.00 peak 424 volume 4.283 ppm1 1.821 ppm2 0.482
assign ( resid 58 and name HB )
( resid 58 and name HG2# )
4.30 2.50 0.00 peak 425 volume 3.872 ppm1 1.824 ppm2 0.199
assign ( resid 58 and name HG1# )
( resid 59 and name HN )
5.80 4.00 0.00 peak 426 volume 2.324 ppm1 0.485 ppm2 8.106
assign ( resid 58 and name HG1# )
( resid 30 and name HD% )
5.80 4.00 0.00 peak 427 volume 0.996 ppm1 0.485 ppm2 7.335
assign ( resid 58 and name HG1# )
( resid 30 and name HE% )
5.80 4.00 0.00 peak 428 volume 2.808 ppm1 0.486 ppm2 6.958
assign ( resid 58 and name HG1# )
( resid 58 and name HA )
3.70 1.90 0.00 peak 429 volume 5.518 ppm1 0.486 ppm2 3.909
assign ( resid 58 and name HG1# )
( resid 63 and name HB* )
5.80 4.00 0.00 peak 430 volume 1.699 ppm1 0.486 ppm2 2.202
assign ( resid 58 and name HG1# )
( resid 58 and name HG2# )
3.70 1.90 0.00 peak 431 volume 10.985 ppm1 0.486 ppm2 0.201
assign ( resid 58 and name HG2# )
( resid 58 and name HN )
3.70 1.90 0.00 peak 432 volume 8.106 ppm1 0.202 ppm2 8.080
assign ( resid 58 and name HG2# )
( resid 30 and name HD% )
5.80 4.00 0.00 peak 433 volume 2.585 ppm1 0.208 ppm2 7.331
assign ( resid 58 and name HG2# )
( resid 30 and name HE% )
3.20 1.40 0.00 peak 434 volume 5.830 ppm1 0.208 ppm2 6.980
assign ( resid 58 and name HG2# )
( resid 58 and name HB )
3.70 1.90 0.00 peak 435 volume 9.716 ppm1 0.202 ppm2 1.817
assign ( resid 45 and name HG2# )
( resid 67 and name HG2# )
3.20 1.40 0.00 peak 436 volume 5.061 ppm1 0.214 ppm2 1.148
assign ( resid 45 and name HG2# )
( resid 45 and name HG2# )
3.70 1.90 0.00 peak 437 volume 16.797 ppm1 0.203 ppm2 0.483
assign ( resid 64 and name HB* )
( resid 64 and name HG* )
6.00 4.20 0.00 peak 438 volume 2.626 ppm1 1.618 ppm2 2.214
assign ( resid 65 and name HB* )
( resid 65 and name HN )
4.00 2.20 0.00 peak 439 volume 4.049 ppm1 1.846 ppm2 8.388
assign ( resid 65 and name HB* )
( resid 66 and name HN )
5.50 3.70 0.00 peak 440 volume 2.065 ppm1 1.838 ppm2 7.565
assign ( resid 65 and name HB* )
( resid 62 and name HA* )
5.50 3.70 0.00 peak 441 volume 1.154 ppm1 1.849 ppm2 3.810
assign ( resid 65 and name HB* )
( resid 65 and name HG )
3.40 1.60 0.00 peak 442 volume 12.907 ppm1 1.843 ppm2 1.546
assign ( resid 65 and name HB* )
( resid 65 and name HD1# )
3.70 1.90 0.00 peak 443 volume 11.501 ppm1 1.834 ppm2 0.914
assign ( resid 65 and name HD1# )
( resid 65 and name HN )
6.30 4.50 0.00 peak 444 volume 2.528 ppm1 0.916 ppm2 8.388
assign ( resid 66 and name HB* )
( resid 67 and name HN )
5.50 3.70 0.00 peak 445 volume 1.198 ppm1 2.021 ppm2 8.122
assign ( resid 66 and name HB* )
( resid 66 and name HN )
6.00 4.20 0.00 peak 446 volume 2.946 ppm1 2.026 ppm2 7.564
assign ( resid 66 and name HB* )
( resid 63 and name HA )
5.50 3.70 0.00 peak 447 volume 1.613 ppm1 2.020 ppm2 4.606
assign ( resid 66 and name HB* )
( resid 66 and name HA )
6.00 4.20 0.00 peak 448 volume 2.496 ppm1 2.025 ppm2 4.002
assign ( resid 66 and name HB* )
( resid 66 and name HE* )
6.00 4.20 0.00 peak 449 volume 1.523 ppm1 2.034 ppm2 2.997
assign ( resid 66 and name HG* )
( resid 66 and name HN )
6.00 4.20 0.00 peak 450 volume 1.627 ppm1 1.506 ppm2 7.565
assign ( resid 66 and name HG* )
( resid 66 and name HB* )
6.00 4.20 0.00 peak 451 volume 3.461 ppm1 1.508 ppm2 2.023
assign ( resid 66 and name HG* )
( resid 66 and name HA )
6.00 4.20 0.00 peak 452 volume 2.993 ppm1 1.505 ppm2 4.001
assign ( resid 54 and name HB )
( resid 55 and name HA )
5.50 3.70 0.00 peak 453 volume 2.016 ppm1 1.898 ppm2 4.164
assign ( resid 67 and name HD1# )
( resid 67 and name HN )
6.30 4.50 0.00 peak 454 volume 1.539 ppm1 0.874 ppm2 8.125
assign ( resid 67 and name HD1# )
( resid 30 and name HD% )
5.80 4.00 0.00 peak 455 volume 0.965 ppm1 0.872 ppm2 7.342
assign ( resid 67 and name HD1# )
( resid 34 and name HE% )
5.80 4.00 0.00 peak 456 volume 3.044 ppm1 0.877 ppm2 6.976
assign ( resid 67 and name HD1# )
( resid 64 and name HA )
5.80 4.00 0.00 peak 457 volume 1.821 ppm1 0.871 ppm2 3.811
assign ( resid 67 and name HD1# )
( resid 22 and name HD1# )
3.20 1.40 0.00 peak 458 volume 5.619 ppm1 0.874 ppm2 0.479
OR { 458 }
( resid 67 and name HD1# )
( resid 22 and name HD1# )
OR { 458 }
( resid 67 and name HD1# )
( resid 58 and name HG1# )
assign ( resid 67 and name HD1# )
( resid 45 and name HG2# )
5.80 4.00 0.00 peak 459 volume 2.887 ppm1 0.872 ppm2 0.212
assign ( resid 48 and name HB* )
( resid 48 and name HN )
6.00 4.20 0.00 peak 460 volume 2.553 ppm1 1.917 ppm2 7.277
assign ( resid 48 and name HB* )
( resid 49 and name HN )
5.50 3.70 0.00 peak 461 volume 1.468 ppm1 1.913 ppm2 6.826
assign ( resid 69 and name HG* )
( resid 69 and name HA )
6.00 4.20 0.00 peak 462 volume 2.525 ppm1 1.914 ppm2 4.052
assign ( resid 48 and name HB* )
( resid 53 and name HD1# )
3.80 2.00 0.00 peak 463 volume 7.165 ppm1 1.913 ppm2 1.190
assign ( resid 48 and name HB* )
( resid 48 and name HD1# )
6.30 4.50 0.00 peak 464 volume 4.510 ppm1 1.915 ppm2 1.046
assign ( resid 48 and name HB* )
( resid 68 and name HD2# )
5.80 4.00 0.00 peak 465 volume 2.222 ppm1 1.911 ppm2 0.671
assign ( resid 74 and name HB* )
( resid 74 and name HN )
6.00 4.20 0.00 peak 466 volume 1.926 ppm1 3.158 ppm2 7.715
assign ( resid 74 and name HB* )
( resid 74 and name HD% )
6.00 4.20 0.00 peak 467 volume 2.053 ppm1 3.163 ppm2 7.392
assign ( resid 74 and name HB* )
( resid 74 and name HA )
6.00 4.20 0.00 peak 468 volume 2.899 ppm1 3.154 ppm2 4.649
assign ( resid 45 and name HD1# )
( resid 34 and name HD% )
5.80 4.00 0.00 peak 469 volume 2.022 ppm1 0.522 ppm2 7.703
assign ( resid 53 and name HD2# )
( resid 58 and name HG2# )
5.80 4.00 0.00 peak 471 volume 8.188 ppm1 0.990 ppm2 0.175
assign ( resid 53 and name HD2# )
( resid 34 and name HE% )
5.80 4.00 0.00 peak 472 volume 7.925 ppm1 0.990 ppm2 6.981
assign ( resid 39 and name HD2# )
( resid 44 and name HG* )
3.80 2.00 0.00 peak 473 volume 4.764 ppm1 0.763 ppm2 2.281
assign ( resid 53 and name HD2# )
( resid 53 and name HB* )
3.70 1.90 0.00 peak 474 volume 9.337 ppm1 0.989 ppm2 2.042
assign ( resid 48 and name HD1# )
( resid 45 and name HG2# )
3.80 2.00 0.00 peak 475 volume 4.820 ppm1 1.046 ppm2 0.521
assign ( resid 48 and name HD1# )
( resid 45 and name HG2# )
5.80 4.00 0.00 peak 476 volume 6.607 ppm1 1.045 ppm2 0.220
assign ( resid 61 and name HG2# )
( resid 62 and name HA* )
3.20 1.40 0.00 peak 477 volume 6.029 ppm1 0.898 ppm2 3.843
assign ( resid 35 and name HG2# )
( resid 35 and name HB )
3.70 1.90 0.00 peak 478 volume 6.288 ppm1 0.943 ppm2 2.090
assign ( resid 35 and name HG2# )
( resid 35 and name HA )
4.30 2.50 0.00 peak 479 volume 3.836 ppm1 0.942 ppm2 3.592
assign ( resid 17 and name HA )
( resid 17 and name HN )
6.00 4.20 0.00 peak 480 volume 1.745 ppm1 4.054 ppm2 9.149
assign ( resid 17 and name HA )
( resid 17 and name HD% )
6.00 4.20 0.00 peak 481 volume 2.016 ppm1 4.065 ppm2 6.977
assign ( resid 17 and name HA )
( resid 17 and name HB* )
6.00 4.20 0.00 peak 482 volume 1.405 ppm1 4.066 ppm2 3.446
assign ( resid 17 and name HA )
( resid 17 and name HB* )
6.00 4.20 0.00 peak 483 volume 1.158 ppm1 4.071 ppm2 3.338
assign ( resid 17 and name HA )
( resid 20 and name HD1# )
5.80 4.00 0.00 peak 484 volume 1.748 ppm1 4.070 ppm2 0.912
assign ( resid 71 and name HB1 )
( resid 45 and name HG2# )
5.80 4.00 0.00 peak 485 volume 1.411 ppm1 4.041 ppm2 0.228
assign ( resid 64 and name HA )
( resid 64 and name HN )
6.00 4.20 0.00 peak 486 volume 1.509 ppm1 3.799 ppm2 7.790
assign ( resid 64 and name HA )
( resid 64 and name HB* )
6.00 4.20 0.00 peak 487 volume 2.880 ppm1 3.800 ppm2 1.849
assign ( resid 64 and name HA )
( resid 64 and name HB* )
6.00 4.20 0.00 peak 488 volume 1.852 ppm1 3.802 ppm2 1.618
assign ( resid 64 and name HA )
( resid 53 and name HD1# )
5.80 4.00 0.00 peak 489 volume 1.876 ppm1 3.791 ppm2 1.180
assign ( resid 64 and name HA )
( resid 67 and name HD1# )
3.80 2.00 0.00 peak 490 volume 4.444 ppm1 3.801 ppm2 0.908
assign ( resid 39 and name HD2# )
( resid 40 and name HN )
5.80 4.00 0.00 peak 491 volume 2.811 ppm1 0.761 ppm2 7.649
assign ( resid 39 and name HD2# )
( resid 44 and name HA )
5.80 4.00 0.00 peak 492 volume 1.715 ppm1 0.761 ppm2 4.236
assign ( resid 39 and name HD2# )
( resid 45 and name HA )
5.80 4.00 0.00 peak 493 volume 1.440 ppm1 0.762 ppm2 3.630
assign ( resid 39 and name HD2# )
( resid 56 and name HD1# )
5.80 4.00 0.00 peak 494 volume 2.422 ppm1 0.762 ppm2 0.136
assign ( resid 71 and name HB1 )
( resid 71 and name HN )
6.00 4.20 0.00 peak 495 volume 0.921 ppm1 4.282 ppm2 9.143
assign ( resid 71 and name HB1 )
( resid 45 and name HG2# )
5.80 4.00 0.00 peak 496 volume 1.284 ppm1 4.280 ppm2 0.225
assign ( resid 71 and name HB1 )
( resid 21 and name HD% )
5.50 3.70 0.00 peak 497 volume 0.445 ppm1 4.287 ppm2 6.966
assign ( resid 48 and name HD1# )
( resid 48 and name HN )
6.30 4.50 0.00 peak 498 volume 2.499 ppm1 1.045 ppm2 7.280
assign ( resid 48 and name HD1# )
( resid 21 and name HE% )
5.80 4.00 0.00 peak 499 volume 0.789 ppm1 1.046 ppm2 7.413
assign ( resid 48 and name HD1# )
( resid 34 and name HD% )
5.80 4.00 0.00 peak 500 volume 0.911 ppm1 1.045 ppm2 7.702
assign ( resid 48 and name HD1# )
( resid 71 and name HB1 )
5.80 4.00 0.00 peak 501 volume 1.530 ppm1 1.045 ppm2 4.287
assign ( resid 48 and name HD1# )
( resid 48 and name HA )
4.30 2.50 0.00 peak 502 volume 3.771 ppm1 1.045 ppm2 4.042
assign ( resid 48 and name HD1# )
( resid 45 and name HA )
5.80 4.00 0.00 peak 503 volume 3.177 ppm1 1.046 ppm2 3.637
assign ( resid 53 and name HD2# )
( resid 34 and name HD% )
5.80 4.00 0.00 peak 504 volume 1.368 ppm1 0.922 ppm2 7.700
assign ( resid 39 and name HD2# )
( resid 39 and name HN )
6.30 4.50 0.00 peak 505 volume 2.428 ppm1 0.761 ppm2 8.225
assign ( resid 39 and name HD1# )
( resid 45 and name HG2# )
5.80 4.00 0.00 peak 506 volume 0.828 ppm1 0.634 ppm2 0.253
assign ( resid 64 and name HB* )
( resid 64 and name HN )
6.00 4.20 0.00 peak 508 volume 0.734 ppm1 1.623 ppm2 7.788
assign ( resid 64 and name HB* )
( resid 65 and name HN )
5.50 3.70 0.00 peak 509 volume 0.883 ppm1 1.615 ppm2 8.384
assign ( resid 64 and name HB* )
( resid 64 and name HA )
6.00 4.20 0.00 peak 510 volume 1.090 ppm1 1.607 ppm2 3.794
assign ( resid 45 and name HD1# )
( resid 45 and name HG2# )
3.70 1.90 0.00 peak 511 volume 7.867 ppm1 0.522 ppm2 0.222
assign ( resid 45 and name HD1# )
( resid 71 and name HB1 )
5.80 4.00 0.00 peak 512 volume 0.742 ppm1 0.524 ppm2 4.056
assign ( resid 45 and name HD1# )
( resid 42 and name HA )
5.80 4.00 0.00 peak 514 volume 0.731 ppm1 0.525 ppm2 2.888
assign ( resid 48 and name HD1# )
( resid 39 and name HD2# )
5.80 4.00 0.00 peak 516 volume 3.169 ppm1 1.045 ppm2 0.762
assign ( resid 48 and name HD1# )
( resid 39 and name HD1# )
3.80 2.00 0.00 peak 517 volume 4.188 ppm1 1.045 ppm2 0.664
assign ( resid 18 and name HG2# )
( resid 19 and name HN )
5.80 4.00 0.00 peak 518 volume 0.770 ppm1 0.857 ppm2 7.218
assign ( resid 18 and name HG2# )
( resid 45 and name HD1# )
3.20 1.40 0.00 peak 519 volume 12.318 ppm1 0.857 ppm2 0.491
assign ( resid 18 and name HG2# )
( resid 42 and name HG* )
3.20 1.40 0.00 peak 520 volume 11.893 ppm1 0.890 ppm2 1.550
OR { 520 }
( resid 18 and name HG2# )
( resid 42 and name HG* )
OR { 520 }
( resid 18 and name HG2# )
( resid 39 and name HB* )
assign ( resid 40 and name HG1# )
( resid 41 and name HN )
5.80 4.00 0.00 peak 521 volume 2.960 ppm1 0.993 ppm2 8.231
assign ( resid 40 and name HG1# )
( resid 40 and name HN )
6.30 4.50 0.00 peak 522 volume 1.855 ppm1 0.992 ppm2 7.634
assign ( resid 40 and name HG1# )
( resid 40 and name HA )
3.70 1.90 0.00 peak 523 volume 6.424 ppm1 0.993 ppm2 4.569
assign ( resid 40 and name HG1# )
( resid 40 and name HB )
3.70 1.90 0.00 peak 524 volume 8.384 ppm1 0.993 ppm2 2.347
assign ( resid 68 and name HD2# )
( resid 68 and name HN )
6.30 4.50 0.00 peak 525 volume 2.341 ppm1 0.675 ppm2 8.582
assign ( resid 68 and name HD2# )
( resid 50 and name HN )
5.80 4.00 0.00 peak 526 volume 1.595 ppm1 0.677 ppm2 8.917
assign ( resid 68 and name HD2# )
( resid 49 and name HA )
3.20 1.40 0.00 peak 527 volume 6.438 ppm1 0.677 ppm2 4.694
assign ( resid 68 and name HD2# )
( resid 68 and name HA )
3.70 1.90 0.00 peak 528 volume 10.382 ppm1 0.677 ppm2 4.342
assign ( resid 68 and name HD2# )
( resid 68 and name HA )
3.70 1.90 0.00 peak 529 volume 10.382 ppm1 0.677 ppm2 4.342
assign ( resid 68 and name HD2# )
( resid 49 and name HB* )
5.80 4.00 0.00 peak 530 volume 1.315 ppm1 0.673 ppm2 3.157
assign ( resid 68 and name HD2# )
( resid 49 and name HB* )
5.80 4.00 0.00 peak 531 volume 1.129 ppm1 0.676 ppm2 2.782
assign ( resid 68 and name HD2# )
( resid 68 and name HB* )
3.70 1.90 0.00 peak 532 volume 11.391 ppm1 0.676 ppm2 1.826
assign ( resid 68 and name HD2# )
( resid 68 and name HB* )
3.70 1.90 0.00 peak 533 volume 7.125 ppm1 0.676 ppm2 1.490
assign ( resid 68 and name HD2# )
( resid 68 and name HA )
3.70 1.90 0.00 peak 534 volume 10.382 ppm1 0.677 ppm2 4.342
assign ( resid 56 and name HD1# )
( resid 53 and name HB* )
5.80 4.00 0.00 peak 535 volume 0.463 ppm1 0.134 ppm2 2.028
assign ( resid 56 and name HD1# )
( resid 37 and name HA )
5.80 4.00 0.00 peak 536 volume 0.396 ppm1 0.132 ppm2 4.579
assign ( resid 56 and name HD2# )
( resid 30 and name HD% )
5.80 4.00 0.00 peak 537 volume 0.683 ppm1 0.403 ppm2 7.335
assign ( resid 56 and name HD2# )
( resid 34 and name HE% )
5.80 4.00 0.00 peak 538 volume 0.930 ppm1 0.406 ppm2 6.991
assign ( resid 56 and name HD2# )
( resid 34 and name HN )
5.80 4.00 0.00 peak 539 volume 1.146 ppm1 0.404 ppm2 8.122
assign ( resid 56 and name HD2# )
( resid 56 and name HA )
3.70 1.90 0.00 peak 540 volume 8.519 ppm1 0.403 ppm2 4.142
assign ( resid 56 and name HD2# )
( resid 34 and name HA )
5.80 4.00 0.00 peak 541 volume 3.057 ppm1 0.403 ppm2 4.019
assign ( resid 34 and name HB* )
( resid 35 and name HN )
5.50 3.70 0.00 peak 542 volume 1.060 ppm1 3.509 ppm2 8.434
assign ( resid 34 and name HB* )
( resid 34 and name HD% )
6.00 4.20 0.00 peak 543 volume 1.883 ppm1 3.499 ppm2 7.699
assign ( resid 47 and name HB* )
( resid 47 and name HA )
4.00 2.20 0.00 peak 544 volume 4.806 ppm1 3.447 ppm2 4.758
assign ( resid 47 and name HB* )
( resid 47 and name HB* )
3.40 1.60 0.00 peak 545 volume 12.869 ppm1 3.448 ppm2 2.652
assign ( resid 34 and name HB* )
( resid 48 and name HD2# )
5.80 4.00 0.00 peak 546 volume 2.581 ppm1 3.504 ppm2 0.880
OR { 546 }
( resid 34 and name HB* )
( resid 48 and name HD2# )
OR { 546 }
( resid 34 and name HB* )
( resid 18 and name HG2# )
assign ( resid 34 and name HB* )
( resid 22 and name HD1# )
5.80 4.00 0.00 peak 547 volume 0.551 ppm1 3.352 ppm2 0.451
assign ( resid 34 and name HB* )
( resid 22 and name HD1# )
5.80 4.00 0.00 peak 548 volume 0.434 ppm1 3.477 ppm2 0.470
assign ( resid 71 and name HB1 )
( resid 21 and name HE% )
5.50 3.70 0.00 peak 549 volume 1.273 ppm1 4.043 ppm2 7.415
assign ( resid 71 and name HB1 )
( resid 74 and name HN )
5.50 3.70 0.00 peak 550 volume 0.923 ppm1 4.048 ppm2 7.742
assign ( resid 70 and name HA )
( resid 70 and name HN )
6.00 4.20 0.00 peak 551 volume 3.426 ppm1 4.309 ppm2 7.704
assign ( resid 45 and name HD1# )
( resid 74 and name HE% )
5.80 4.00 0.00 peak 552 volume 0.618 ppm1 0.520 ppm2 7.278
assign ( resid 45 and name HD1# )
( resid 18 and name HN )
5.80 4.00 0.00 peak 553 volume 1.390 ppm1 0.524 ppm2 8.262
assign ( resid 48 and name HD2# )
( resid 48 and name HB* )
3.70 1.90 0.00 peak 555 volume 6.581 ppm1 0.919 ppm2 2.321
assign ( resid 53 and name HD2# )
( resid 64 and name HB* )
5.80 4.00 0.00 peak 556 volume 13.127 ppm1 0.931 ppm2 1.666
assign ( resid 34 and name HB* )
( resid 31 and name HD2# )
5.80 4.00 0.00 peak 559 volume 1.303 ppm1 3.359 ppm2 0.970
assign ( resid 34 and name HB* )
( resid 67 and name HD1# )
5.80 4.00 0.00 peak 560 volume 1.930 ppm1 3.366 ppm2 0.880
assign ( resid 48 and name HA )
( resid 53 and name HD1# )
5.80 4.00 0.00 peak 561 volume 2.751 ppm1 4.058 ppm2 1.186
assign ( resid 45 and name HD1# )
( resid 18 and name HG1# )
5.80 4.00 0.00 peak 568 volume 7.879 ppm1 0.523 ppm2 1.056
assign ( resid 48 and name HD2# )
( resid 58 and name HG2# )
5.80 4.00 0.00 peak 570 volume 2.233 ppm1 0.913 ppm2 0.173
assign ( resid 39 and name HD2# )
( resid 48 and name HD1# )
3.20 1.40 0.00 peak 572 volume 14.076 ppm1 0.767 ppm2 1.057
! spectrum: arofull-run21.xpk
! using intensity strong threshold of 5.00
! using intensity medium threshold of 3.50
!
! using strong restraint of 2.90
! using medium restraint of 3.50
! using weak restraint of 5.50
assign ( resid 34 and name HD% )
( resid 34 and name HA )
6.00 4.20 0.00 peak 0 volume 2.427 ppm1 7.692 ppm2 4.001
assign ( resid 34 and name HD% )
( resid 34 and name HB* )
6.00 4.20 0.00 peak 1 volume 1.861 ppm1 7.692 ppm2 3.479
assign ( resid 34 and name HD% )
( resid 34 and name HB* )
6.00 4.20 0.00 peak 2 volume 1.693 ppm1 7.692 ppm2 3.361
assign ( resid 34 and name HD% )
( resid 22 and name HB* )
5.50 3.70 0.00 peak 3 volume 1.572 ppm1 7.690 ppm2 1.810
assign ( resid 34 and name HD% )
( resid 18 and name HG1# )
5.80 4.00 0.00 peak 4 volume 2.794 ppm1 7.692 ppm2 1.006
assign ( resid 34 and name HD% )
( resid 18 and name HG2# )
3.80 2.00 0.00 peak 5 volume 4.739 ppm1 7.693 ppm2 0.860
assign ( resid 34 and name HD% )
( resid 22 and name HD2# )
5.80 4.00 0.00 peak 6 volume 1.819 ppm1 7.692 ppm2 0.745
assign ( resid 34 and name HD% )
( resid 22 and name HD1# )
5.80 4.00 0.00 peak 7 volume 2.731 ppm1 7.692 ppm2 0.503
assign ( resid 34 and name HD% )
( resid 56 and name HD1# )
5.80 4.00 0.00 peak 8 volume 1.433 ppm1 7.693 ppm2 0.123
assign ( resid 74 and name HD% )
( resid 74 and name HB* )
6.00 4.20 0.00 peak 9 volume 3.425 ppm1 7.379 ppm2 3.309
assign ( resid 74 and name HD% )
( resid 74 and name HB* )
6.00 4.20 0.00 peak 10 volume 3.244 ppm1 7.379 ppm2 3.139
assign ( resid 74 and name HD% )
( resid 74 and name HA )
3.40 1.60 0.00 peak 11 volume 5.596 ppm1 7.378 ppm2 4.627
assign ( resid 21 and name HE% )
( resid 70 and name HA )
5.50 3.70 0.00 peak 12 volume 2.388 ppm1 7.381 ppm2 4.282
OR { 12 }
( resid 21 and name HE% )
( resid 70 and name HA )
OR { 12 }
( resid 74 and name HD% )
( resid 75 and name HA )
OR { 12 }
( resid 21 and name HE% )
( resid 71 and name HA )
assign ( resid 74 and name HE% )
( resid 17 and name HA )
5.50 3.70 0.00 peak 13 volume 2.026 ppm1 7.293 ppm2 4.035
assign ( resid 47 and name HD% )
( resid 44 and name HA )
5.50 3.70 0.00 peak 14 volume 2.428 ppm1 7.259 ppm2 4.222
assign ( resid 47 and name HD% )
( resid 47 and name HA )
3.40 1.60 0.00 peak 15 volume 8.262 ppm1 7.258 ppm2 4.744
assign ( resid 30 and name HD% )
( resid 30 and name HA )
4.00 2.20 0.00 peak 16 volume 4.053 ppm1 7.322 ppm2 5.034
assign ( resid 30 and name HD% )
( resid 27 and name HA )
5.50 3.70 0.00 peak 17 volume 1.563 ppm1 7.322 ppm2 5.167
assign ( resid 30 and name HE% )
( resid 30 and name HA )
6.00 4.20 0.00 peak 18 volume 2.518 ppm1 6.948 ppm2 5.035
assign ( resid 30 and name HE% )
( resid 27 and name HA )
5.50 3.70 0.00 peak 19 volume 1.668 ppm1 6.942 ppm2 5.167
assign ( resid 30 and name HD% )
( resid 30 and name HB* )
6.00 4.20 0.00 peak 20 volume 1.960 ppm1 7.323 ppm2 3.710
assign ( resid 47 and name HD% )
( resid 47 and name HB* )
3.40 1.60 0.00 peak 21 volume 5.410 ppm1 7.258 ppm2 3.434
assign ( resid 47 and name HD% )
( resid 47 and name HB* )
3.40 1.60 0.00 peak 22 volume 5.678 ppm1 7.258 ppm2 2.637
assign ( resid 47 and name HD% )
( resid 43 and name HG* )
5.50 3.70 0.00 peak 23 volume 1.793 ppm1 7.258 ppm2 2.305
assign ( resid 30 and name HD% )
( resid 30 and name HB* )
6.00 4.20 0.00 peak 24 volume 2.169 ppm1 7.323 ppm2 2.617
assign ( resid 74 and name HD% )
( resid 45 and name HG2# )
5.80 4.00 0.00 peak 25 volume 2.886 ppm1 7.380 ppm2 0.208
assign ( resid 30 and name HD% )
( resid 58 and name HG2# )
5.80 4.00 0.00 peak 26 volume 2.286 ppm1 7.312 ppm2 0.194
assign ( resid 30 and name HE% )
( resid 58 and name HG2# )
3.20 1.40 0.00 peak 27 volume 7.346 ppm1 6.956 ppm2 0.197
assign ( resid 17 and name HE% )
( resid 45 and name HG2# )
5.80 4.00 0.00 peak 28 volume 3.204 ppm1 6.848 ppm2 0.209
assign ( resid 17 and name HE% )
( resid 45 and name HD1# )
5.80 4.00 0.00 peak 29 volume 3.262 ppm1 6.849 ppm2 0.504
assign ( resid 30 and name HD% )
( resid 22 and name HD1# )
3.80 2.00 0.00 peak 30 volume 3.518 ppm1 7.323 ppm2 0.450
OR { 30 }
( resid 30 and name HD% )
( resid 22 and name HD1# )
OR { 30 }
( resid 30 and name HD% )
( resid 58 and name HG1# )
OR { 30 }
( resid 30 and name HD% )
( resid 25 and name HD1# )
assign ( resid 47 and name HE% )
( resid 47 and name HB* )
4.00 2.20 0.00 peak 31 volume 3.597 ppm1 6.842 ppm2 2.655
assign ( resid 74 and name HD% )
( resid 70 and name HB* )
5.50 3.70 0.00 peak 32 volume 1.698 ppm1 7.381 ppm2 1.807
OR { 32 }
( resid 74 and name HD% )
( resid 70 and name HB* )
OR { 32 }
( resid 21 and name HE% )
( resid 70 and name HB* )
assign ( resid 17 and name HZ )
( resid 45 and name HD1# )
5.80 4.00 0.00 peak 33 volume 0.793 ppm1 6.553 ppm2 0.507
assign ( resid 17 and name HZ )
( resid 45 and name HG2# )
5.80 4.00 0.00 peak 34 volume 0.994 ppm1 6.552 ppm2 0.209
assign ( resid 34 and name HD% )
( resid 56 and name HB* )
5.50 3.70 0.00 peak 35 volume 0.914 ppm1 7.692 ppm2 1.704
assign ( resid 34 and name HD% )
( resid 67 and name HG2# )
5.80 4.00 0.00 peak 36 volume 0.852 ppm1 7.692 ppm2 1.129
assign ( resid 34 and name HD% )
( resid 31 and name HA )
5.50 3.70 0.00 peak 37 volume 0.912 ppm1 7.692 ppm2 3.812
assign ( resid 47 and name HE% )
( resid 47 and name HA )
4.00 2.20 0.00 peak 38 volume 3.865 ppm1 6.840 ppm2 4.743
assign ( resid 47 and name HE% )
( resid 47 and name HB* )
6.00 4.20 0.00 peak 39 volume 3.156 ppm1 6.843 ppm2 3.427
assign ( resid 17 and name HE% )
( resid 70 and name HB* )
5.50 3.70 0.00 peak 40 volume 3.801 ppm1 6.842 ppm2 1.457
assign ( resid 17 and name HE% )
( resid 20 and name HD1# )
5.80 4.00 0.00 peak 41 volume 5.154 ppm1 6.847 ppm2 0.894
assign ( resid 17 and name HD% )
( resid 17 and name HA )
4.00 2.20 0.00 peak 42 volume 7.618 ppm1 6.961 ppm2 4.042
assign ( resid 30 and name HE% )
( resid 58 and name HA )
3.50 1.70 0.00 peak 43 volume 4.750 ppm1 6.949 ppm2 3.899
assign ( resid 34 and name HE% )
( resid 30 and name HB* )
5.50 3.70 0.00 peak 44 volume 2.975 ppm1 6.956 ppm2 3.777
assign ( resid 17 and name HD% )
( resid 17 and name HB* )
4.00 2.20 0.00 peak 45 volume 4.357 ppm1 6.963 ppm2 3.409
assign ( resid 17 and name HD% )
( resid 17 and name HB* )
4.00 2.20 0.00 peak 46 volume 3.761 ppm1 6.963 ppm2 3.315
assign ( resid 21 and name HD% )
( resid 21 and name HB* )
4.00 2.20 0.00 peak 47 volume 3.790 ppm1 6.953 ppm2 2.660
assign ( resid 21 and name HD% )
( resid 21 and name HB* )
6.00 4.20 0.00 peak 48 volume 2.813 ppm1 6.958 ppm2 2.275
assign ( resid 21 and name HD% )
( resid 70 and name HB* )
5.50 3.70 0.00 peak 49 volume 5.934 ppm1 6.955 ppm2 1.798
assign ( resid 74 and name HD% )
( resid 46 and name HB* )
5.50 3.70 0.00 peak 50 volume 2.360 ppm1 7.379 ppm2 1.438
OR { 50 }
( resid 74 and name HD% )
( resid 46 and name HB* )
OR { 50 }
( resid 21 and name HE% )
( resid 70 and name HB* )
assign ( resid 21 and name HE% )
( resid 67 and name HG2# )
5.80 4.00 0.00 peak 51 volume 2.445 ppm1 7.390 ppm2 1.130
assign ( resid 21 and name HE% )
( resid 67 and name HD1# )
5.80 4.00 0.00 peak 52 volume 3.114 ppm1 7.380 ppm2 0.865
assign ( resid 17 and name HZ )
( resid 74 and name HB* )
5.50 3.70 0.00 peak 53 volume 0.415 ppm1 6.552 ppm2 3.312
assign ( resid 34 and name HD% )
( resid 30 and name HB* )
5.50 3.70 0.00 peak 54 volume 0.609 ppm1 7.692 ppm2 2.619
assign ( resid 34 and name HD% )
( resid 39 and name HB* )
5.50 3.70 0.00 peak 55 volume 0.506 ppm1 7.692 ppm2 1.512
assign ( resid 34 and name HD% )
( resid 39 and name HG )
5.50 3.70 0.00 peak 56 volume 1.277 ppm1 7.693 ppm2 1.316
assign ( resid 34 and name HD% )
( resid 30 and name HA )
5.50 3.70 0.00 peak 57 volume 0.693 ppm1 7.689 ppm2 5.035
assign ( resid 34 and name HD% )
( resid 45 and name HG2# )
5.80 4.00 0.00 peak 58 volume 1.101 ppm1 7.693 ppm2 0.196
OR { 58 }
( resid 34 and name HD% )
( resid 45 and name HG2# )
OR { 58 }
( resid 57 and name HN )
( resid 58 and name HG2# )
assign ( resid 34 and name HD% )
( resid 39 and name HD1# )
5.80 4.00 0.00 peak 59 volume 1.983 ppm1 7.692 ppm2 0.614
! spectrum: aroaro-run21.xpk
! using intensity strong threshold of 5.00
! using intensity medium threshold of 3.50
!
! using strong restraint of 2.90
! using medium restraint of 3.50
! using weak restraint of 5.50
assign ( resid 34 and name HD% )
( resid 30 and name HD% )
5.50 3.70 0.00 peak 0 volume 1.110 ppm1 7.692 ppm2 7.324
assign ( resid 21 and name HD% )
( resid 17 and name HZ )
5.50 3.70 0.00 peak 2 volume 2.070 ppm1 7.378 ppm2 6.552
assign ( resid 21 and name HD% )
( resid 17 and name HE% )
5.50 3.70 0.00 peak 3 volume 2.524 ppm1 7.379 ppm2 6.855
assign ( resid 21 and name HE% )
( resid 17 and name HZ )
5.50 3.70 0.00 peak 6 volume 0.979 ppm1 7.298 ppm2 6.553
assign ( resid 17 and name HZ )
( resid 21 and name HE% )
5.50 3.70 0.00 peak 13 volume 0.967 ppm1 6.552 ppm2 7.296
assign ( resid 17 and name HZ )
( resid 74 and name HD% )
5.50 3.70 0.00 peak 14 volume 1.715 ppm1 6.553 ppm2 7.377
assign ( resid 34 and name HE% )
( resid 34 and name HD% )
3.40 1.60 0.00 peak 15 volume 8.888 ppm1 6.984 ppm2 7.693
assign ( resid 30 and name HD% )
( resid 34 and name HD% )
5.50 3.70 0.00 peak 16 volume 1.050 ppm1 7.327 ppm2 7.691
assign ( resid 17 and name HE% )
( resid 74 and name HD% )
5.50 3.70 0.00 peak 19 volume 3.488 ppm1 6.848 ppm2 7.380
Contact the webmaster for help, if required. Thursday, May 2, 2024 10:05:53 AM GMT (wattos1)