NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
9879 |
1ovx   |
cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
assign ( segid "AAAA" and resid 2 and name HN )
( segid "AAAA" and resid 2 and name HA )
3.40 1.60 0.00 peak 0 volume 160.670 ppm1 7.850 ppm2 4.241
assign ( segid "AAAA" and resid 2 and name HN )
( segid "AAAA" and resid 11 and name HA )
5.50 3.70 0.00 peak 1 volume 6.891 ppm1 7.853 ppm2 3.803
assign ( segid "AAAA" and resid 2 and name HN )
( segid "AAAA" and resid 11 and name HG* )
5.50 3.70 0.00 peak 2 volume 12.273 ppm1 7.846 ppm2 1.788
assign ( segid "AAAA" and resid 2 and name HN )
( segid "AAAA" and resid 2 and name HB1 )
4.00 2.20 0.00 peak 3 volume 39.954 ppm1 7.850 ppm2 1.419
assign ( segid "AAAA" and resid 2 and name HN )
( segid "AAAA" and resid 2 and name HG )
6.00 4.20 0.00 peak 4 volume 25.635 ppm1 7.848 ppm2 1.066
assign ( segid "AAAA" and resid 2 and name HN )
( segid "AAAA" and resid 1 and name HD2# )
5.80 4.00 0.00 peak 5 volume 13.760 ppm1 7.850 ppm2 0.815
assign ( segid "AAAA" and resid 3 and name HN )
( segid "AAAA" and resid 4 and name HN )
5.50 3.70 0.00 peak 6 volume 7.399 ppm1 7.582 ppm2 9.170
assign ( segid "AAAA" and resid 3 and name HN )
( segid "AAAA" and resid 3 and name HD% )
6.00 4.20 0.00 peak 7 volume 19.229 ppm1 7.580 ppm2 6.963
OR { 7 }
( segid "AAAA" and resid 3 and name HN )
( segid "AAAA" and resid 3 and name HD% )
OR { 7 }
( segid "AAAA" and resid 3 and name HN )
( segid "AAAA" and resid 24 and name HD% )
assign ( segid "AAAA" and resid 3 and name HN )
( segid "AAAA" and resid 3 and name HA )
6.00 4.20 0.00 peak 8 volume 16.127 ppm1 7.580 ppm2 4.871
assign ( segid "AAAA" and resid 3 and name HN )
( segid "AAAA" and resid 2 and name HA )
2.90 1.10 0.00 peak 9 volume 138.214 ppm1 7.581 ppm2 4.243
assign ( segid "AAAA" and resid 3 and name HN )
( segid "AAAA" and resid 3 and name HB2 )
4.00 2.20 0.00 peak 10 volume 34.738 ppm1 7.580 ppm2 2.428
assign ( segid "AAAA" and resid 3 and name HN )
( segid "AAAA" and resid 2 and name HB1 )
5.50 3.70 0.00 peak 11 volume 7.819 ppm1 7.573 ppm2 1.386
assign ( segid "AAAA" and resid 3 and name HN )
( segid "AAAA" and resid 2 and name HG )
5.50 3.70 0.00 peak 12 volume 16.071 ppm1 7.580 ppm2 1.032
assign ( segid "AAAA" and resid 4 and name HN )
( segid "AAAA" and resid 9 and name HN )
5.50 3.70 0.00 peak 13 volume 8.303 ppm1 9.162 ppm2 8.733
assign ( segid "AAAA" and resid 4 and name HN )
( segid "AAAA" and resid 3 and name HN )
5.50 3.70 0.00 peak 14 volume 8.830 ppm1 9.164 ppm2 7.607
assign ( segid "AAAA" and resid 4 and name HN )
( segid "AAAA" and resid 3 and name HA )
2.90 1.10 0.00 peak 15 volume 53.400 ppm1 9.162 ppm2 4.866
assign ( segid "AAAA" and resid 4 and name HN )
( segid "AAAA" and resid 8 and name HA2 )
5.50 3.70 0.00 peak 16 volume 16.374 ppm1 9.163 ppm2 3.996
OR { 16 }
( segid "AAAA" and resid 4 and name HN )
( segid "AAAA" and resid 8 and name HA2 )
OR { 16 }
( segid "AAAA" and resid 4 and name HN )
( segid "AAAA" and resid 4 and name HA )
assign ( segid "AAAA" and resid 4 and name HN )
( segid "AAAA" and resid 4 and name HB1 )
4.00 2.20 0.00 peak 17 volume 38.371 ppm1 9.162 ppm2 3.477
assign ( segid "AAAA" and resid 4 and name HN )
( segid "AAAA" and resid 4 and name HB2 )
6.00 4.20 0.00 peak 18 volume 27.796 ppm1 9.163 ppm2 2.696
assign ( segid "AAAA" and resid 4 and name HN )
( segid "AAAA" and resid 3 and name HB1 )
5.50 3.70 0.00 peak 19 volume 17.855 ppm1 9.163 ppm2 2.468
assign ( segid "AAAA" and resid 4 and name HN )
( segid "AAAA" and resid 17 and name HD2# )
5.80 4.00 0.00 peak 21 volume 13.251 ppm1 9.163 ppm2 0.505
assign ( segid "AAAA" and resid 6 and name HN )
( segid "AAAA" and resid 5 and name HN )
5.50 3.70 0.00 peak 22 volume 20.561 ppm1 9.921 ppm2 9.614
assign ( segid "AAAA" and resid 6 and name HN )
( segid "AAAA" and resid 7 and name HN )
3.50 1.70 0.00 peak 23 volume 45.373 ppm1 9.921 ppm2 8.686
assign ( segid "AAAA" and resid 6 and name HN )
( segid "AAAA" and resid 6 and name HD% )
6.00 4.20 0.00 peak 24 volume 22.603 ppm1 9.922 ppm2 7.417
assign ( segid "AAAA" and resid 6 and name HN )
( segid "AAAA" and resid 6 and name HD% )
6.00 4.20 0.00 peak 25 volume 22.603 ppm1 9.922 ppm2 7.417
assign ( segid "AAAA" and resid 6 and name HN )
( segid "AAAA" and resid 25 and name HA )
5.50 3.70 0.00 peak 26 volume 4.235 ppm1 9.922 ppm2 6.133
assign ( segid "AAAA" and resid 6 and name HN )
( segid "AAAA" and resid 5 and name HA )
5.50 3.70 0.00 peak 27 volume 9.102 ppm1 9.921 ppm2 4.416
assign ( segid "AAAA" and resid 6 and name HN )
( segid "AAAA" and resid 6 and name HA )
6.00 4.20 0.00 peak 28 volume 24.724 ppm1 9.922 ppm2 4.179
assign ( segid "AAAA" and resid 6 and name HN )
( segid "AAAA" and resid 6 and name HB1 )
4.00 2.20 0.00 peak 29 volume 39.685 ppm1 9.921 ppm2 3.944
assign ( segid "AAAA" and resid 6 and name HN )
( segid "AAAA" and resid 4 and name HB1 )
5.50 3.70 0.00 peak 30 volume 5.383 ppm1 9.921 ppm2 3.447
assign ( segid "AAAA" and resid 6 and name HN )
( segid "AAAA" and resid 6 and name HB2 )
6.00 4.20 0.00 peak 31 volume 22.217 ppm1 9.921 ppm2 3.108
assign ( segid "AAAA" and resid 6 and name HN )
( segid "AAAA" and resid 4 and name HB2 )
5.50 3.70 0.00 peak 32 volume 5.100 ppm1 9.922 ppm2 2.721
assign ( segid "AAAA" and resid 7 and name HN )
( segid "AAAA" and resid 6 and name HN )
3.50 1.70 0.00 peak 33 volume 42.932 ppm1 8.686 ppm2 9.928
assign ( segid "AAAA" and resid 7 and name HN )
( segid "AAAA" and resid 8 and name HN )
2.90 1.10 0.00 peak 34 volume 58.408 ppm1 8.687 ppm2 7.645
assign ( segid "AAAA" and resid 7 and name HN )
( segid "AAAA" and resid 6 and name HD% )
5.50 3.70 0.00 peak 35 volume 5.143 ppm1 8.694 ppm2 7.424
assign ( segid "AAAA" and resid 7 and name HN )
( segid "AAAA" and resid 7 and name HA )
6.00 4.20 0.00 peak 36 volume 18.583 ppm1 8.686 ppm2 4.979
assign ( segid "AAAA" and resid 7 and name HN )
( segid "AAAA" and resid 6 and name HA )
5.50 3.70 0.00 peak 37 volume 14.032 ppm1 8.690 ppm2 4.209
assign ( segid "AAAA" and resid 7 and name HN )
( segid "AAAA" and resid 6 and name HB1 )
3.50 1.70 0.00 peak 38 volume 30.683 ppm1 8.689 ppm2 3.935
assign ( segid "AAAA" and resid 7 and name HN )
( segid "AAAA" and resid 4 and name HB1 )
5.50 3.70 0.00 peak 39 volume 13.501 ppm1 8.688 ppm2 3.471
assign ( segid "AAAA" and resid 7 and name HN )
( segid "AAAA" and resid 6 and name HB2 )
5.50 3.70 0.00 peak 40 volume 21.492 ppm1 8.686 ppm2 3.146
assign ( segid "AAAA" and resid 7 and name HN )
( segid "AAAA" and resid 7 and name HB2 )
6.00 4.20 0.00 peak 41 volume 18.799 ppm1 8.686 ppm2 2.670
assign ( segid "AAAA" and resid 8 and name HN )
( segid "AAAA" and resid 6 and name HN )
5.50 3.70 0.00 peak 42 volume 12.584 ppm1 7.640 ppm2 9.921
assign ( segid "AAAA" and resid 8 and name HN )
( segid "AAAA" and resid 4 and name HN )
5.50 3.70 0.00 peak 43 volume 6.822 ppm1 7.640 ppm2 9.157
assign ( segid "AAAA" and resid 8 and name HN )
( segid "AAAA" and resid 7 and name HN )
2.90 1.10 0.00 peak 44 volume 73.191 ppm1 7.642 ppm2 8.711
assign ( segid "AAAA" and resid 8 and name HN )
( segid "AAAA" and resid 7 and name HA )
5.50 3.70 0.00 peak 45 volume 10.278 ppm1 7.644 ppm2 4.963
assign ( segid "AAAA" and resid 8 and name HN )
( segid "AAAA" and resid 8 and name HA1 )
3.40 1.60 0.00 peak 46 volume 54.541 ppm1 7.642 ppm2 4.203
assign ( segid "AAAA" and resid 8 and name HN )
( segid "AAAA" and resid 8 and name HA2 )
3.40 1.60 0.00 peak 47 volume 76.525 ppm1 7.644 ppm2 3.963
assign ( segid "AAAA" and resid 8 and name HN )
( segid "AAAA" and resid 4 and name HB1 )
5.50 3.70 0.00 peak 48 volume 20.877 ppm1 7.643 ppm2 3.479
assign ( segid "AAAA" and resid 8 and name HN )
( segid "AAAA" and resid 7 and name HB1 )
5.50 3.70 0.00 peak 49 volume 6.973 ppm1 7.646 ppm2 3.164
assign ( segid "AAAA" and resid 8 and name HN )
( segid "AAAA" and resid 7 and name HB2 )
5.50 3.70 0.00 peak 50 volume 15.658 ppm1 7.643 ppm2 2.676
assign ( segid "AAAA" and resid 8 and name HN )
( segid "AAAA" and resid 3 and name HB2 )
5.50 3.70 0.00 peak 51 volume 4.614 ppm1 7.640 ppm2 2.451
assign ( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 4 and name HN )
5.50 3.70 0.00 peak 52 volume 13.567 ppm1 8.754 ppm2 9.138
assign ( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 8 and name HN )
5.50 3.70 0.00 peak 53 volume 28.559 ppm1 8.754 ppm2 7.650
assign ( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 9 and name HA )
4.00 2.20 0.00 peak 54 volume 31.424 ppm1 8.756 ppm2 4.300
assign ( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 8 and name HA2 )
5.50 3.70 0.00 peak 55 volume 14.101 ppm1 8.755 ppm2 3.960
assign ( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 4 and name HB1 )
5.50 3.70 0.00 peak 56 volume 28.149 ppm1 8.756 ppm2 3.471
assign ( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 7 and name HB1 )
5.50 3.70 0.00 peak 57 volume 5.783 ppm1 8.757 ppm2 3.161
assign ( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 9 and name HE2 )
6.00 4.20 0.00 peak 58 volume 7.057 ppm1 8.756 ppm2 2.995
OR { 58 }
( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 9 and name HE2 )
OR { 58 }
( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 9 and name HE1 )
assign ( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 4 and name HB2 )
5.50 3.70 0.00 peak 59 volume 17.535 ppm1 8.755 ppm2 2.682
OR { 59 }
( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 4 and name HB2 )
OR { 59 }
( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 7 and name HB2 )
assign ( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 13 and name HB* )
5.50 3.70 0.00 peak 60 volume 6.189 ppm1 8.757 ppm2 2.230
OR { 60 }
( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 13 and name HB* )
OR { 60 }
( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 13 and name HB* )
assign ( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 9 and name HB2 )
3.40 1.60 0.00 peak 61 volume 65.138 ppm1 8.756 ppm2 1.748
OR { 61 }
( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 9 and name HB2 )
OR { 61 }
( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 9 and name HG2 )
assign ( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 9 and name HD1 )
6.00 4.20 0.00 peak 62 volume 17.937 ppm1 8.757 ppm2 1.422
OR { 62 }
( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 9 and name HD1 )
OR { 62 }
( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 9 and name HD2 )
assign ( segid "AAAA" and resid 9 and name HN )
( segid "AAAA" and resid 14 and name HG1# )
5.80 4.00 0.00 peak 63 volume 6.453 ppm1 8.756 ppm2 0.988
assign ( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 9 and name HN )
5.50 3.70 0.00 peak 64 volume 5.921 ppm1 9.121 ppm2 8.756
assign ( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 11 and name HN )
5.50 3.70 0.00 peak 65 volume 4.313 ppm1 9.122 ppm2 8.132
assign ( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 13 and name HN )
5.50 3.70 0.00 peak 66 volume 4.125 ppm1 9.127 ppm2 7.850
assign ( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 9 and name HA )
2.90 1.10 0.00 peak 67 volume 75.753 ppm1 9.124 ppm2 4.336
assign ( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 10 and name HB* )
6.00 4.20 0.00 peak 68 volume 19.886 ppm1 9.123 ppm2 3.869
assign ( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 13 and name HG* )
3.50 1.70 0.00 peak 69 volume 35.537 ppm1 9.123 ppm2 2.260
OR { 69 }
( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 13 and name HG* )
OR { 69 }
( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 13 and name HB* )
assign ( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 9 and name HG2 )
5.50 3.70 0.00 peak 70 volume 24.951 ppm1 9.123 ppm2 1.739
OR { 70 }
( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 9 and name HG2 )
OR { 70 }
( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 9 and name HB2 )
assign ( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 9 and name HD2 )
5.50 3.70 0.00 peak 71 volume 9.084 ppm1 9.124 ppm2 1.421
OR { 71 }
( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 9 and name HD2 )
OR { 71 }
( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 9 and name HD1 )
assign ( segid "AAAA" and resid 10 and name HN )
( segid "AAAA" and resid 14 and name HG1# )
5.80 4.00 0.00 peak 72 volume 3.652 ppm1 9.122 ppm2 0.968
assign ( segid "AAAA" and resid 11 and name HN )
( segid "AAAA" and resid 10 and name HN )
5.50 3.70 0.00 peak 73 volume 3.676 ppm1 8.127 ppm2 9.130
assign ( segid "AAAA" and resid 11 and name HN )
( segid "AAAA" and resid 12 and name HN )
5.50 3.70 0.00 peak 74 volume 4.508 ppm1 8.121 ppm2 7.577
assign ( segid "AAAA" and resid 11 and name HN )
( segid "AAAA" and resid 11 and name HA )
6.00 4.20 0.00 peak 75 volume 25.729 ppm1 8.125 ppm2 3.734
assign ( segid "AAAA" and resid 11 and name HN )
( segid "AAAA" and resid 11 and name HG* )
6.00 4.20 0.00 peak 76 volume 24.912 ppm1 8.126 ppm2 1.810
assign ( segid "AAAA" and resid 12 and name HN )
( segid "AAAA" and resid 11 and name HN )
5.50 3.70 0.00 peak 77 volume 7.253 ppm1 7.546 ppm2 8.117
assign ( segid "AAAA" and resid 12 and name HN )
( segid "AAAA" and resid 13 and name HN )
5.50 3.70 0.00 peak 78 volume 19.964 ppm1 7.551 ppm2 7.854
assign ( segid "AAAA" and resid 12 and name HN )
( segid "AAAA" and resid 14 and name HN )
5.50 3.70 0.00 peak 79 volume 3.353 ppm1 7.545 ppm2 7.022
assign ( segid "AAAA" and resid 12 and name HN )
( segid "AAAA" and resid 10 and name HB* )
5.50 3.70 0.00 peak 80 volume 6.926 ppm1 7.550 ppm2 3.732
assign ( segid "AAAA" and resid 12 and name HN )
( segid "AAAA" and resid 12 and name HB* )
6.00 4.20 0.00 peak 81 volume 10.015 ppm1 7.551 ppm2 3.222
assign ( segid "AAAA" and resid 12 and name HN )
( segid "AAAA" and resid 12 and name HB* )
6.00 4.20 0.00 peak 82 volume 11.435 ppm1 7.550 ppm2 2.855
assign ( segid "AAAA" and resid 12 and name HN )
( segid "AAAA" and resid 11 and name HG* )
5.50 3.70 0.00 peak 83 volume 7.931 ppm1 7.552 ppm2 1.784
OR { 83 }
( segid "AAAA" and resid 12 and name HN )
( segid "AAAA" and resid 11 and name HG* )
OR { 83 }
( segid "AAAA" and resid 12 and name HN )
( segid "AAAA" and resid 11 and name HB* )
assign ( segid "AAAA" and resid 13 and name HN )
( segid "AAAA" and resid 10 and name HN )
5.50 3.70 0.00 peak 84 volume 4.729 ppm1 7.870 ppm2 9.113
assign ( segid "AAAA" and resid 13 and name HN )
( segid "AAAA" and resid 12 and name HN )
5.50 3.70 0.00 peak 85 volume 20.663 ppm1 7.868 ppm2 7.546
assign ( segid "AAAA" and resid 13 and name HN )
( segid "AAAA" and resid 14 and name HN )
2.90 1.10 0.00 peak 86 volume 71.135 ppm1 7.868 ppm2 6.989
assign ( segid "AAAA" and resid 13 and name HN )
( segid "AAAA" and resid 13 and name HA )
6.00 4.20 0.00 peak 87 volume 20.720 ppm1 7.868 ppm2 4.450
assign ( segid "AAAA" and resid 13 and name HN )
( segid "AAAA" and resid 11 and name HA )
5.50 3.70 0.00 peak 88 volume 7.844 ppm1 7.868 ppm2 3.774
assign ( segid "AAAA" and resid 13 and name HN )
( segid "AAAA" and resid 12 and name HB* )
5.50 3.70 0.00 peak 89 volume 6.194 ppm1 7.869 ppm2 3.227
assign ( segid "AAAA" and resid 13 and name HN )
( segid "AAAA" and resid 12 and name HB* )
5.50 3.70 0.00 peak 90 volume 6.790 ppm1 7.869 ppm2 2.845
assign ( segid "AAAA" and resid 13 and name HN )
( segid "AAAA" and resid 13 and name HB* )
3.40 1.60 0.00 peak 91 volume 88.523 ppm1 7.868 ppm2 2.264
assign ( segid "AAAA" and resid 13 and name HN )
( segid "AAAA" and resid 11 and name HG* )
5.50 3.70 0.00 peak 92 volume 6.287 ppm1 7.868 ppm2 1.768
assign ( segid "AAAA" and resid 13 and name HN )
( segid "AAAA" and resid 14 and name HG1# )
5.80 4.00 0.00 peak 93 volume 7.916 ppm1 7.869 ppm2 0.951
assign ( segid "AAAA" and resid 13 and name HN )
( segid "AAAA" and resid 14 and name HG2# )
5.80 4.00 0.00 peak 94 volume 11.045 ppm1 7.868 ppm2 0.682
assign ( segid "AAAA" and resid 14 and name HN )
( segid "AAAA" and resid 15 and name HN )
5.50 3.70 0.00 peak 95 volume 8.241 ppm1 6.985 ppm2 9.107
assign ( segid "AAAA" and resid 14 and name HN )
( segid "AAAA" and resid 13 and name HN )
2.90 1.10 0.00 peak 96 volume 82.610 ppm1 6.984 ppm2 7.869
assign ( segid "AAAA" and resid 14 and name HN )
( segid "AAAA" and resid 14 and name HA )
4.00 2.20 0.00 peak 97 volume 31.869 ppm1 6.984 ppm2 4.897
assign ( segid "AAAA" and resid 14 and name HN )
( segid "AAAA" and resid 13 and name HA )
5.50 3.70 0.00 peak 98 volume 17.408 ppm1 6.984 ppm2 4.443
assign ( segid "AAAA" and resid 14 and name HN )
( segid "AAAA" and resid 11 and name HA )
5.50 3.70 0.00 peak 99 volume 8.870 ppm1 6.984 ppm2 3.770
assign ( segid "AAAA" and resid 14 and name HN )
( segid "AAAA" and resid 14 and name HB )
6.00 4.20 0.00 peak 100 volume 10.094 ppm1 6.984 ppm2 2.708
assign ( segid "AAAA" and resid 14 and name HN )
( segid "AAAA" and resid 13 and name HB* )
5.50 3.70 0.00 peak 101 volume 28.560 ppm1 6.983 ppm2 2.259
OR { 101 }
( segid "AAAA" and resid 14 and name HN )
( segid "AAAA" and resid 13 and name HB* )
OR { 101 }
( segid "AAAA" and resid 14 and name HN )
( segid "AAAA" and resid 13 and name HB* )
assign ( segid "AAAA" and resid 14 and name HN )
( segid "AAAA" and resid 9 and name HB2 )
5.50 3.70 0.00 peak 102 volume 7.816 ppm1 6.983 ppm2 1.740
assign ( segid "AAAA" and resid 14 and name HN )
( segid "AAAA" and resid 14 and name HG1# )
4.30 2.50 0.00 peak 103 volume 34.933 ppm1 6.984 ppm2 0.952
assign ( segid "AAAA" and resid 14 and name HN )
( segid "AAAA" and resid 14 and name HG2# )
3.70 1.90 0.00 peak 104 volume 81.691 ppm1 6.984 ppm2 0.692
assign ( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 16 and name HN )
3.50 1.70 0.00 peak 105 volume 49.078 ppm1 9.096 ppm2 8.538
assign ( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 14 and name HN )
5.50 3.70 0.00 peak 106 volume 4.656 ppm1 9.098 ppm2 6.989
assign ( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 15 and name HA )
6.00 4.20 0.00 peak 107 volume 25.996 ppm1 9.100 ppm2 4.250
OR { 107 }
( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 15 and name HA )
OR { 107 }
( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 1 and name HA )
assign ( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 14 and name HB )
2.90 1.10 0.00 peak 108 volume 62.380 ppm1 9.097 ppm2 2.706
assign ( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 15 and name HB* )
3.40 1.60 0.00 peak 109 volume 66.049 ppm1 9.099 ppm2 1.831
OR { 109 }
( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 15 and name HB* )
OR { 109 }
( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 15 and name HB* )
assign ( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 15 and name HG* )
6.00 4.20 0.00 peak 110 volume 15.517 ppm1 9.097 ppm2 1.603
OR { 110 }
( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 15 and name HG* )
OR { 110 }
( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 15 and name HG* )
assign ( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 14 and name HG1# )
5.80 4.00 0.00 peak 111 volume 15.807 ppm1 9.101 ppm2 0.952
assign ( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 14 and name HG2# )
5.80 4.00 0.00 peak 112 volume 17.614 ppm1 9.096 ppm2 0.677
assign ( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 15 and name HN )
2.90 1.10 0.00 peak 113 volume 53.155 ppm1 8.533 ppm2 9.089
assign ( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 16 and name HA )
6.00 4.20 0.00 peak 114 volume 20.122 ppm1 8.534 ppm2 4.502
assign ( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 15 and name HA )
5.50 3.70 0.00 peak 115 volume 11.053 ppm1 8.536 ppm2 4.244
assign ( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 27 and name HB* )
5.50 3.70 0.00 peak 116 volume 25.493 ppm1 8.533 ppm2 2.713
OR { 116 }
( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 27 and name HB* )
OR { 116 }
( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 14 and name HB )
assign ( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 27 and name HB* )
5.50 3.70 0.00 peak 117 volume 9.261 ppm1 8.533 ppm2 2.438
assign ( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 15 and name HB* )
3.50 1.70 0.00 peak 118 volume 36.937 ppm1 8.534 ppm2 1.823
OR { 118 }
( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 15 and name HB* )
OR { 118 }
( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 15 and name HB* )
assign ( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 16 and name HB* )
4.00 2.20 0.00 peak 119 volume 36.395 ppm1 8.534 ppm2 1.614
OR { 119 }
( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 16 and name HB* )
OR { 119 }
( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 16 and name HB* )
assign ( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 16 and name HG* )
6.00 4.20 0.00 peak 120 volume 8.759 ppm1 8.533 ppm2 1.307
OR { 120 }
( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 16 and name HG* )
OR { 120 }
( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 16 and name HG* )
assign ( segid "AAAA" and resid 16 and name HN )
( segid "AAAA" and resid 14 and name HG2# )
5.80 4.00 0.00 peak 121 volume 18.349 ppm1 8.534 ppm2 0.675
assign ( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 18 and name HN )
5.50 3.70 0.00 peak 122 volume 3.309 ppm1 8.449 ppm2 9.445
assign ( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 17 and name HA )
6.00 4.20 0.00 peak 123 volume 14.101 ppm1 8.447 ppm2 4.784
assign ( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 16 and name HA )
2.90 1.10 0.00 peak 124 volume 87.990 ppm1 8.448 ppm2 4.488
assign ( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 17 and name HB* )
6.00 4.20 0.00 peak 125 volume 29.637 ppm1 8.448 ppm2 1.641
OR { 125 }
( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 17 and name HB* )
OR { 125 }
( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 16 and name HB* )
assign ( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 17 and name HB* )
6.00 4.20 0.00 peak 126 volume 29.637 ppm1 8.448 ppm2 1.641
OR { 126 }
( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 17 and name HB* )
OR { 126 }
( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 16 and name HB* )
assign ( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 2 and name HB2 )
5.50 3.70 0.00 peak 127 volume 24.099 ppm1 8.448 ppm2 1.242
OR { 127 }
( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 2 and name HB2 )
OR { 127 }
( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 16 and name HG* )
OR { 127 }
( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 16 and name HG* )
assign ( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 14 and name HG2# )
5.80 4.00 0.00 peak 128 volume 4.149 ppm1 8.452 ppm2 0.746
assign ( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 2 and name HD2# )
5.80 4.00 0.00 peak 129 volume 5.779 ppm1 8.447 ppm2 0.546
OR { 129 }
( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 2 and name HD2# )
OR { 129 }
( segid "AAAA" and resid 17 and name HN )
( segid "AAAA" and resid 17 and name HD1# )
assign ( segid "AAAA" and resid 18 and name HN )
( segid "AAAA" and resid 17 and name HN )
5.50 3.70 0.00 peak 130 volume 4.787 ppm1 9.435 ppm2 8.505
assign ( segid "AAAA" and resid 18 and name HN )
( segid "AAAA" and resid 26 and name HA )
5.50 3.70 0.00 peak 131 volume 12.099 ppm1 9.439 ppm2 5.985
assign ( segid "AAAA" and resid 18 and name HN )
( segid "AAAA" and resid 17 and name HA )
2.90 1.10 0.00 peak 132 volume 59.819 ppm1 9.436 ppm2 4.805
assign ( segid "AAAA" and resid 18 and name HN )
( segid "AAAA" and resid 18 and name HA )
6.00 4.20 0.00 peak 133 volume 11.870 ppm1 9.435 ppm2 4.225
assign ( segid "AAAA" and resid 18 and name HN )
( segid "AAAA" and resid 18 and name HB )
4.00 2.20 0.00 peak 134 volume 41.276 ppm1 9.436 ppm2 2.095
assign ( segid "AAAA" and resid 18 and name HN )
( segid "AAAA" and resid 18 and name HG12 )
6.00 4.20 0.00 peak 135 volume 15.429 ppm1 9.438 ppm2 1.439
assign ( segid "AAAA" and resid 18 and name HN )
( segid "AAAA" and resid 18 and name HG11 )
6.00 4.20 0.00 peak 136 volume 12.558 ppm1 9.437 ppm2 1.156
assign ( segid "AAAA" and resid 18 and name HN )
( segid "AAAA" and resid 18 and name HD1# )
6.30 4.50 0.00 peak 137 volume 10.373 ppm1 9.437 ppm2 0.846
assign ( segid "AAAA" and resid 18 and name HN )
( segid "AAAA" and resid 17 and name HD1# )
5.80 4.00 0.00 peak 138 volume 14.756 ppm1 9.438 ppm2 0.563
assign ( segid "AAAA" and resid 19 and name HN )
( segid "AAAA" and resid 25 and name HN )
5.50 3.70 0.00 peak 139 volume 6.154 ppm1 8.595 ppm2 9.440
OR { 139 }
( segid "AAAA" and resid 19 and name HN )
( segid "AAAA" and resid 25 and name HN )
OR { 139 }
( segid "AAAA" and resid 19 and name HN )
( segid "AAAA" and resid 18 and name HN )
assign ( segid "AAAA" and resid 19 and name HN )
( segid "AAAA" and resid 24 and name HE% )
5.50 3.70 0.00 peak 140 volume 3.675 ppm1 8.600 ppm2 7.033
assign ( segid "AAAA" and resid 19 and name HN )
( segid "AAAA" and resid 19 and name HA )
6.00 4.20 0.00 peak 141 volume 20.421 ppm1 8.601 ppm2 4.777
assign ( segid "AAAA" and resid 19 and name HN )
( segid "AAAA" and resid 19 and name HB1 )
3.40 1.60 0.00 peak 142 volume 82.618 ppm1 8.593 ppm2 1.536
assign ( segid "AAAA" and resid 19 and name HN )
( segid "AAAA" and resid 18 and name HG2# )
3.80 2.00 0.00 peak 143 volume 40.362 ppm1 8.594 ppm2 0.985
assign ( segid "AAAA" and resid 20 and name HN )
( segid "AAAA" and resid 19 and name HN )
5.50 3.70 0.00 peak 144 volume 6.009 ppm1 8.344 ppm2 8.607
assign ( segid "AAAA" and resid 20 and name HN )
( segid "AAAA" and resid 24 and name HE% )
5.50 3.70 0.00 peak 145 volume 8.527 ppm1 8.337 ppm2 6.987
OR { 145 }
( segid "AAAA" and resid 20 and name HN )
( segid "AAAA" and resid 24 and name HE% )
OR { 145 }
( segid "AAAA" and resid 20 and name HN )
( segid "AAAA" and resid 24 and name HD% )
assign ( segid "AAAA" and resid 20 and name HN )
( segid "AAAA" and resid 23 and name HN )
5.50 3.70 0.00 peak 146 volume 8.121 ppm1 8.338 ppm2 6.439
assign ( segid "AAAA" and resid 20 and name HN )
( segid "AAAA" and resid 24 and name HA )
5.50 3.70 0.00 peak 147 volume 16.406 ppm1 8.336 ppm2 5.679
assign ( segid "AAAA" and resid 20 and name HN )
( segid "AAAA" and resid 19 and name HA )
2.90 1.10 0.00 peak 148 volume 96.003 ppm1 8.336 ppm2 4.784
assign ( segid "AAAA" and resid 20 and name HN )
( segid "AAAA" and resid 20 and name HA* )
6.00 4.20 0.00 peak 149 volume 19.134 ppm1 8.339 ppm2 4.616
assign ( segid "AAAA" and resid 20 and name HN )
( segid "AAAA" and resid 20 and name HA* )
4.00 2.20 0.00 peak 150 volume 33.397 ppm1 8.337 ppm2 3.108
assign ( segid "AAAA" and resid 20 and name HN )
( segid "AAAA" and resid 19 and name HB1 )
5.50 3.70 0.00 peak 151 volume 15.138 ppm1 8.353 ppm2 1.565
assign ( segid "AAAA" and resid 20 and name HN )
( segid "AAAA" and resid 23 and name HG2# )
5.80 4.00 0.00 peak 152 volume 7.103 ppm1 8.334 ppm2 0.116
assign ( segid "AAAA" and resid 22 and name HN )
( segid "AAAA" and resid 23 and name HN )
5.50 3.70 0.00 peak 153 volume 12.671 ppm1 8.147 ppm2 6.453
assign ( segid "AAAA" and resid 22 and name HN )
( segid "AAAA" and resid 21 and name HA )
5.50 3.70 0.00 peak 154 volume 15.319 ppm1 8.149 ppm2 4.428
assign ( segid "AAAA" and resid 22 and name HN )
( segid "AAAA" and resid 21 and name HB* )
5.50 3.70 0.00 peak 155 volume 7.969 ppm1 8.148 ppm2 2.109
OR { 155 }
( segid "AAAA" and resid 22 and name HN )
( segid "AAAA" and resid 21 and name HB* )
OR { 155 }
( segid "AAAA" and resid 22 and name HN )
( segid "AAAA" and resid 21 and name HB* )
assign ( segid "AAAA" and resid 23 and name HN )
( segid "AAAA" and resid 24 and name HN )
5.50 3.70 0.00 peak 156 volume 6.564 ppm1 6.443 ppm2 8.644
assign ( segid "AAAA" and resid 23 and name HN )
( segid "AAAA" and resid 20 and name HN )
5.50 3.70 0.00 peak 157 volume 15.728 ppm1 6.444 ppm2 8.353
assign ( segid "AAAA" and resid 23 and name HN )
( segid "AAAA" and resid 22 and name HN )
5.50 3.70 0.00 peak 158 volume 17.262 ppm1 6.441 ppm2 8.149
assign ( segid "AAAA" and resid 23 and name HN )
( segid "AAAA" and resid 23 and name HB )
6.00 4.20 0.00 peak 159 volume 12.864 ppm1 6.444 ppm2 1.732
assign ( segid "AAAA" and resid 23 and name HN )
( segid "AAAA" and resid 23 and name HG1# )
4.30 2.50 0.00 peak 160 volume 36.337 ppm1 6.442 ppm2 0.236
assign ( segid "AAAA" and resid 23 and name HN )
( segid "AAAA" and resid 23 and name HG2# )
4.30 2.50 0.00 peak 161 volume 43.390 ppm1 6.442 ppm2 0.077
assign ( segid "AAAA" and resid 24 and name HN )
( segid "AAAA" and resid 5 and name HN )
5.50 3.70 0.00 peak 162 volume 9.875 ppm1 8.654 ppm2 9.611
assign ( segid "AAAA" and resid 24 and name HN )
( segid "AAAA" and resid 20 and name HN )
5.50 3.70 0.00 peak 163 volume 4.071 ppm1 8.661 ppm2 8.348
assign ( segid "AAAA" and resid 24 and name HN )
( segid "AAAA" and resid 24 and name HD% )
6.00 4.20 0.00 peak 164 volume 13.903 ppm1 8.650 ppm2 6.990
assign ( segid "AAAA" and resid 24 and name HN )
( segid "AAAA" and resid 24 and name HA )
6.00 4.20 0.00 peak 165 volume 10.911 ppm1 8.650 ppm2 5.669
assign ( segid "AAAA" and resid 24 and name HN )
( segid "AAAA" and resid 23 and name HA )
2.90 1.10 0.00 peak 166 volume 51.455 ppm1 8.650 ppm2 4.266
assign ( segid "AAAA" and resid 24 and name HN )
( segid "AAAA" and resid 5 and name HB1 )
5.50 3.70 0.00 peak 167 volume 16.590 ppm1 8.651 ppm2 4.030
OR { 167 }
( segid "AAAA" and resid 24 and name HN )
( segid "AAAA" and resid 5 and name HB1 )
OR { 167 }
( segid "AAAA" and resid 24 and name HN )
( segid "AAAA" and resid 5 and name HB2 )
assign ( segid "AAAA" and resid 24 and name HN )
( segid "AAAA" and resid 24 and name HB* )
6.00 4.20 0.00 peak 168 volume 18.466 ppm1 8.652 ppm2 3.249
assign ( segid "AAAA" and resid 24 and name HN )
( segid "AAAA" and resid 24 and name HB* )
6.00 4.20 0.00 peak 169 volume 10.869 ppm1 8.652 ppm2 2.796
assign ( segid "AAAA" and resid 24 and name HN )
( segid "AAAA" and resid 23 and name HG2# )
5.80 4.00 0.00 peak 171 volume 21.140 ppm1 8.651 ppm2 0.078
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 24 and name HN )
5.50 3.70 0.00 peak 172 volume 4.888 ppm1 9.388 ppm2 8.645
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 6 and name HZ )
5.50 3.70 0.00 peak 173 volume 9.224 ppm1 9.383 ppm2 7.009
OR { 173 }
( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 6 and name HZ )
OR { 173 }
( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 24 and name HD% )
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 25 and name HA )
6.00 4.20 0.00 peak 174 volume 9.933 ppm1 9.384 ppm2 6.123
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 24 and name HA )
2.90 1.10 0.00 peak 175 volume 61.813 ppm1 9.383 ppm2 5.678
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 18 and name HA )
5.50 3.70 0.00 peak 176 volume 3.252 ppm1 9.383 ppm2 4.257
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 4 and name HA )
5.50 3.70 0.00 peak 177 volume 4.309 ppm1 9.381 ppm2 4.026
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 24 and name HB* )
5.50 3.70 0.00 peak 178 volume 8.447 ppm1 9.385 ppm2 3.249
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 24 and name HB* )
5.50 3.70 0.00 peak 179 volume 17.709 ppm1 9.383 ppm2 2.772
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 18 and name HB )
5.50 3.70 0.00 peak 180 volume 12.129 ppm1 9.383 ppm2 2.092
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 25 and name HB )
6.00 4.20 0.00 peak 181 volume 9.965 ppm1 9.383 ppm2 1.827
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 25 and name HG11 )
6.00 4.20 0.00 peak 182 volume 7.498 ppm1 9.385 ppm2 1.545
OR { 182 }
( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 25 and name HG11 )
OR { 182 }
( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 25 and name HG12 )
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 25 and name HG2# )
4.30 2.50 0.00 peak 183 volume 40.309 ppm1 9.382 ppm2 0.628
assign ( segid "AAAA" and resid 27 and name HN )
( segid "AAAA" and resid 30 and name HN )
5.50 3.70 0.00 peak 184 volume 17.378 ppm1 8.993 ppm2 8.522
assign ( segid "AAAA" and resid 27 and name HN )
( segid "AAAA" and resid 28 and name HN )
5.50 3.70 0.00 peak 185 volume 24.393 ppm1 8.995 ppm2 8.202
assign ( segid "AAAA" and resid 27 and name HN )
( segid "AAAA" and resid 26 and name HA )
2.90 1.10 0.00 peak 186 volume 56.697 ppm1 8.994 ppm2 5.986
assign ( segid "AAAA" and resid 27 and name HN )
( segid "AAAA" and resid 26 and name HB* )
3.50 1.70 0.00 peak 187 volume 33.444 ppm1 8.995 ppm2 3.474
assign ( segid "AAAA" and resid 27 and name HN )
( segid "AAAA" and resid 27 and name HB* )
4.00 2.20 0.00 peak 188 volume 38.396 ppm1 8.994 ppm2 2.712
assign ( segid "AAAA" and resid 27 and name HN )
( segid "AAAA" and resid 27 and name HB* )
4.00 2.20 0.00 peak 189 volume 35.252 ppm1 8.994 ppm2 2.442
assign ( segid "AAAA" and resid 28 and name HN )
( segid "AAAA" and resid 29 and name HN )
2.90 1.10 0.00 peak 190 volume 62.099 ppm1 8.182 ppm2 9.204
assign ( segid "AAAA" and resid 28 and name HN )
( segid "AAAA" and resid 27 and name HN )
5.50 3.70 0.00 peak 191 volume 20.049 ppm1 8.185 ppm2 8.994
assign ( segid "AAAA" and resid 28 and name HN )
( segid "AAAA" and resid 26 and name HA )
5.50 3.70 0.00 peak 192 volume 4.948 ppm1 8.182 ppm2 6.006
assign ( segid "AAAA" and resid 28 and name HN )
( segid "AAAA" and resid 28 and name HA )
6.00 4.20 0.00 peak 193 volume 28.063 ppm1 8.183 ppm2 4.219
assign ( segid "AAAA" and resid 28 and name HN )
( segid "AAAA" and resid 26 and name HB* )
5.50 3.70 0.00 peak 194 volume 10.429 ppm1 8.184 ppm2 3.473
assign ( segid "AAAA" and resid 28 and name HN )
( segid "AAAA" and resid 28 and name HG* )
6.00 4.20 0.00 peak 196 volume 23.186 ppm1 8.183 ppm2 2.092
OR { 196 }
( segid "AAAA" and resid 28 and name HN )
( segid "AAAA" and resid 28 and name HG* )
OR { 196 }
( segid "AAAA" and resid 28 and name HN )
( segid "AAAA" and resid 28 and name HG* )
assign ( segid "AAAA" and resid 29 and name HN )
( segid "AAAA" and resid 30 and name HN )
5.50 3.70 0.00 peak 197 volume 20.385 ppm1 9.199 ppm2 8.525
assign ( segid "AAAA" and resid 29 and name HN )
( segid "AAAA" and resid 28 and name HN )
3.50 1.70 0.00 peak 198 volume 47.192 ppm1 9.197 ppm2 8.195
assign ( segid "AAAA" and resid 29 and name HN )
( segid "AAAA" and resid 31 and name HN )
5.50 3.70 0.00 peak 199 volume 4.555 ppm1 9.200 ppm2 7.505
assign ( segid "AAAA" and resid 29 and name HN )
( segid "AAAA" and resid 29 and name HB* )
6.00 4.20 0.00 peak 200 volume 27.292 ppm1 9.198 ppm2 3.032
assign ( segid "AAAA" and resid 29 and name HN )
( segid "AAAA" and resid 29 and name HB* )
4.00 2.20 0.00 peak 201 volume 30.084 ppm1 9.199 ppm2 2.500
assign ( segid "AAAA" and resid 29 and name HN )
( segid "AAAA" and resid 28 and name HG* )
5.50 3.70 0.00 peak 202 volume 12.426 ppm1 9.198 ppm2 2.087
OR { 202 }
( segid "AAAA" and resid 29 and name HN )
( segid "AAAA" and resid 28 and name HG* )
OR { 202 }
( segid "AAAA" and resid 29 and name HN )
( segid "AAAA" and resid 28 and name HG* )
assign ( segid "AAAA" and resid 29 and name HN )
( segid "AAAA" and resid 25 and name HG11 )
5.50 3.70 0.00 peak 203 volume 4.385 ppm1 9.199 ppm2 1.552
OR { 203 }
( segid "AAAA" and resid 29 and name HN )
( segid "AAAA" and resid 25 and name HG11 )
OR { 203 }
( segid "AAAA" and resid 29 and name HN )
( segid "AAAA" and resid 25 and name HG12 )
assign ( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 29 and name HN )
3.50 1.70 0.00 peak 204 volume 34.387 ppm1 8.531 ppm2 9.197
assign ( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 27 and name HN )
5.50 3.70 0.00 peak 205 volume 6.792 ppm1 8.529 ppm2 8.966
assign ( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 28 and name HN )
5.50 3.70 0.00 peak 206 volume 8.986 ppm1 8.533 ppm2 8.202
assign ( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 31 and name HN )
3.50 1.70 0.00 peak 207 volume 48.132 ppm1 8.531 ppm2 7.470
assign ( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 29 and name HA )
3.50 1.70 0.00 peak 208 volume 33.033 ppm1 8.531 ppm2 4.012
assign ( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 30 and name HA )
6.00 4.20 0.00 peak 209 volume 27.990 ppm1 8.532 ppm2 3.202
assign ( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 29 and name HB* )
5.50 3.70 0.00 peak 210 volume 14.000 ppm1 8.532 ppm2 2.507
assign ( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 30 and name HB )
3.40 1.60 0.00 peak 211 volume 67.216 ppm1 8.531 ppm2 1.960
assign ( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 25 and name HG11 )
5.50 3.70 0.00 peak 212 volume 9.675 ppm1 8.531 ppm2 1.542
OR { 212 }
( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 25 and name HG11 )
OR { 212 }
( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 25 and name HG12 )
assign ( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 30 and name HG2# )
3.70 1.90 0.00 peak 213 volume 90.544 ppm1 8.531 ppm2 0.778
OR { 213 }
( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 30 and name HG2# )
OR { 213 }
( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 30 and name HG1# )
assign ( segid "AAAA" and resid 30 and name HN )
( segid "AAAA" and resid 25 and name HD1# )
5.80 4.00 0.00 peak 214 volume 10.284 ppm1 8.531 ppm2 -0.127
assign ( segid "AAAA" and resid 31 and name HN )
( segid "AAAA" and resid 29 and name HN )
5.50 3.70 0.00 peak 215 volume 3.705 ppm1 7.466 ppm2 9.188
assign ( segid "AAAA" and resid 31 and name HN )
( segid "AAAA" and resid 30 and name HN )
3.50 1.70 0.00 peak 216 volume 33.816 ppm1 7.462 ppm2 8.542
assign ( segid "AAAA" and resid 31 and name HN )
( segid "AAAA" and resid 28 and name HA )
5.50 3.70 0.00 peak 217 volume 13.048 ppm1 7.466 ppm2 4.229
assign ( segid "AAAA" and resid 31 and name HN )
( segid "AAAA" and resid 30 and name HA )
5.50 3.70 0.00 peak 218 volume 11.558 ppm1 7.464 ppm2 3.186
assign ( segid "AAAA" and resid 31 and name HN )
( segid "AAAA" and resid 31 and name HB* )
3.40 1.60 0.00 peak 219 volume 61.208 ppm1 7.462 ppm2 2.855
assign ( segid "AAAA" and resid 31 and name HN )
( segid "AAAA" and resid 30 and name HB )
3.50 1.70 0.00 peak 220 volume 32.954 ppm1 7.463 ppm2 1.963
assign ( segid "AAAA" and resid 31 and name HN )
( segid "AAAA" and resid 30 and name HG2# )
5.80 4.00 0.00 peak 221 volume 25.306 ppm1 7.462 ppm2 0.748
assign ( segid "AAAA" and resid 32 and name HN )
( segid "AAAA" and resid 30 and name HN )
5.50 3.70 0.00 peak 222 volume 5.987 ppm1 7.565 ppm2 8.512
assign ( segid "AAAA" and resid 32 and name HN )
( segid "AAAA" and resid 33 and name HN )
3.50 1.70 0.00 peak 223 volume 33.239 ppm1 7.563 ppm2 8.314
assign ( segid "AAAA" and resid 32 and name HN )
( segid "AAAA" and resid 31 and name HA )
5.50 3.70 0.00 peak 224 volume 10.340 ppm1 7.564 ppm2 4.472
assign ( segid "AAAA" and resid 32 and name HN )
( segid "AAAA" and resid 32 and name HA )
4.00 2.20 0.00 peak 225 volume 35.862 ppm1 7.561 ppm2 4.185
assign ( segid "AAAA" and resid 32 and name HN )
( segid "AAAA" and resid 30 and name HA )
5.50 3.70 0.00 peak 226 volume 6.901 ppm1 7.561 ppm2 3.191
assign ( segid "AAAA" and resid 32 and name HN )
( segid "AAAA" and resid 31 and name HB* )
5.50 3.70 0.00 peak 227 volume 23.635 ppm1 7.562 ppm2 2.793
assign ( segid "AAAA" and resid 32 and name HN )
( segid "AAAA" and resid 32 and name HB* )
3.40 1.60 0.00 peak 228 volume 85.680 ppm1 7.561 ppm2 1.821
OR { 228 }
( segid "AAAA" and resid 32 and name HN )
( segid "AAAA" and resid 32 and name HB* )
OR { 228 }
( segid "AAAA" and resid 32 and name HN )
( segid "AAAA" and resid 32 and name HB* )
assign ( segid "AAAA" and resid 33 and name HN )
( segid "AAAA" and resid 35 and name HN )
5.50 3.70 0.00 peak 229 volume 10.914 ppm1 8.315 ppm2 7.793
assign ( segid "AAAA" and resid 33 and name HN )
( segid "AAAA" and resid 32 and name HN )
2.90 1.10 0.00 peak 230 volume 51.460 ppm1 8.314 ppm2 7.553
assign ( segid "AAAA" and resid 33 and name HN )
( segid "AAAA" and resid 31 and name HA )
5.50 3.70 0.00 peak 231 volume 3.723 ppm1 8.313 ppm2 4.456
assign ( segid "AAAA" and resid 33 and name HN )
( segid "AAAA" and resid 32 and name HA )
5.50 3.70 0.00 peak 232 volume 13.741 ppm1 8.315 ppm2 4.191
assign ( segid "AAAA" and resid 33 and name HN )
( segid "AAAA" and resid 33 and name HA )
4.00 2.20 0.00 peak 233 volume 33.006 ppm1 8.315 ppm2 3.932
assign ( segid "AAAA" and resid 33 and name HN )
( segid "AAAA" and resid 33 and name HB* )
3.40 1.60 0.00 peak 234 volume 54.928 ppm1 8.315 ppm2 3.222
assign ( segid "AAAA" and resid 33 and name HN )
( segid "AAAA" and resid 33 and name HB* )
6.00 4.20 0.00 peak 235 volume 22.464 ppm1 8.314 ppm2 2.293
assign ( segid "AAAA" and resid 33 and name HN )
( segid "AAAA" and resid 32 and name HB* )
3.50 1.70 0.00 peak 236 volume 49.495 ppm1 8.315 ppm2 1.835
assign ( segid "AAAA" and resid 33 and name HN )
( segid "AAAA" and resid 25 and name HD1# )
5.80 4.00 0.00 peak 237 volume 5.111 ppm1 8.315 ppm2 -0.121
assign ( segid "AAAA" and resid 34 and name HN )
( segid "AAAA" and resid 35 and name HN )
3.50 1.70 0.00 peak 238 volume 49.375 ppm1 8.484 ppm2 7.779
assign ( segid "AAAA" and resid 34 and name HN )
( segid "AAAA" and resid 32 and name HN )
5.50 3.70 0.00 peak 239 volume 20.979 ppm1 8.484 ppm2 7.532
assign ( segid "AAAA" and resid 34 and name HN )
( segid "AAAA" and resid 34 and name HA )
4.00 2.20 0.00 peak 240 volume 31.044 ppm1 8.485 ppm2 4.271
assign ( segid "AAAA" and resid 34 and name HN )
( segid "AAAA" and resid 33 and name HA )
5.50 3.70 0.00 peak 241 volume 11.178 ppm1 8.484 ppm2 3.949
assign ( segid "AAAA" and resid 34 and name HN )
( segid "AAAA" and resid 30 and name HA )
3.50 1.70 0.00 peak 242 volume 33.895 ppm1 8.485 ppm2 3.231
OR { 242 }
( segid "AAAA" and resid 34 and name HN )
( segid "AAAA" and resid 30 and name HA )
OR { 242 }
( segid "AAAA" and resid 34 and name HN )
( segid "AAAA" and resid 33 and name HB* )
assign ( segid "AAAA" and resid 34 and name HN )
( segid "AAAA" and resid 34 and name HB* )
3.40 1.60 0.00 peak 243 volume 56.497 ppm1 8.484 ppm2 3.002
assign ( segid "AAAA" and resid 34 and name HN )
( segid "AAAA" and resid 34 and name HB* )
4.00 2.20 0.00 peak 244 volume 33.278 ppm1 8.485 ppm2 2.655
assign ( segid "AAAA" and resid 34 and name HN )
( segid "AAAA" and resid 33 and name HB* )
5.50 3.70 0.00 peak 245 volume 14.900 ppm1 8.484 ppm2 2.302
assign ( segid "AAAA" and resid 35 and name HN )
( segid "AAAA" and resid 34 and name HN )
3.50 1.70 0.00 peak 246 volume 30.565 ppm1 7.771 ppm2 8.484
assign ( segid "AAAA" and resid 35 and name HN )
( segid "AAAA" and resid 37 and name HN )
5.50 3.70 0.00 peak 247 volume 10.456 ppm1 7.772 ppm2 8.257
assign ( segid "AAAA" and resid 35 and name HN )
( segid "AAAA" and resid 35 and name HB* )
3.40 1.60 0.00 peak 248 volume 64.559 ppm1 7.770 ppm2 2.957
assign ( segid "AAAA" and resid 35 and name HN )
( segid "AAAA" and resid 35 and name HB* )
4.00 2.20 0.00 peak 249 volume 42.297 ppm1 7.771 ppm2 2.693
assign ( segid "AAAA" and resid 36 and name HN )
( segid "AAAA" and resid 37 and name HN )
5.50 3.70 0.00 peak 250 volume 28.995 ppm1 7.883 ppm2 8.273
assign ( segid "AAAA" and resid 36 and name HN )
( segid "AAAA" and resid 36 and name HA )
6.00 4.20 0.00 peak 251 volume 21.399 ppm1 7.879 ppm2 3.758
assign ( segid "AAAA" and resid 36 and name HN )
( segid "AAAA" and resid 35 and name HB* )
5.50 3.70 0.00 peak 252 volume 22.814 ppm1 7.883 ppm2 2.971
assign ( segid "AAAA" and resid 36 and name HN )
( segid "AAAA" and resid 35 and name HB* )
5.50 3.70 0.00 peak 253 volume 14.139 ppm1 7.887 ppm2 2.698
assign ( segid "AAAA" and resid 36 and name HN )
( segid "AAAA" and resid 36 and name HB )
3.40 1.60 0.00 peak 254 volume 69.046 ppm1 7.883 ppm2 1.920
assign ( segid "AAAA" and resid 36 and name HN )
( segid "AAAA" and resid 36 and name HG11 )
6.00 4.20 0.00 peak 255 volume 21.507 ppm1 7.882 ppm2 1.112
assign ( segid "AAAA" and resid 36 and name HN )
( segid "AAAA" and resid 37 and name HG2# )
3.80 2.00 0.00 peak 256 volume 44.823 ppm1 7.883 ppm2 0.891
assign ( segid "AAAA" and resid 37 and name HN )
( segid "AAAA" and resid 34 and name HA )
5.50 3.70 0.00 peak 257 volume 12.749 ppm1 8.273 ppm2 4.311
assign ( segid "AAAA" and resid 37 and name HN )
( segid "AAAA" and resid 36 and name HB )
2.90 1.10 0.00 peak 258 volume 96.677 ppm1 8.274 ppm2 1.957
assign ( segid "AAAA" and resid 37 and name HN )
( segid "AAAA" and resid 37 and name HG2# )
4.30 2.50 0.00 peak 259 volume 45.019 ppm1 8.276 ppm2 0.915
assign ( segid "AAAA" and resid 38 and name HN )
( segid "AAAA" and resid 34 and name HA )
5.50 3.70 0.00 peak 260 volume 9.777 ppm1 8.028 ppm2 4.348
assign ( segid "AAAA" and resid 38 and name HN )
( segid "AAAA" and resid 38 and name HA )
6.00 4.20 0.00 peak 261 volume 18.148 ppm1 8.032 ppm2 4.078
assign ( segid "AAAA" and resid 38 and name HN )
( segid "AAAA" and resid 38 and name HB* )
3.40 1.60 0.00 peak 262 volume 50.586 ppm1 8.032 ppm2 1.943
OR { 262 }
( segid "AAAA" and resid 38 and name HN )
( segid "AAAA" and resid 38 and name HB* )
OR { 262 }
( segid "AAAA" and resid 38 and name HN )
( segid "AAAA" and resid 38 and name HB* )
assign ( segid "AAAA" and resid 38 and name HN )
( segid "AAAA" and resid 37 and name HG2# )
5.80 4.00 0.00 peak 263 volume 9.144 ppm1 8.034 ppm2 0.927
assign ( segid "AAAA" and resid 39 and name HN )
( segid "AAAA" and resid 39 and name HG* )
6.00 4.20 0.00 peak 264 volume 29.954 ppm1 7.702 ppm2 2.082
OR { 264 }
( segid "AAAA" and resid 39 and name HN )
( segid "AAAA" and resid 39 and name HG* )
OR { 264 }
( segid "AAAA" and resid 39 and name HN )
( segid "AAAA" and resid 39 and name HB* )
OR { 264 }
( segid "AAAA" and resid 39 and name HN )
( segid "AAAA" and resid 39 and name HB* )
assign ( segid "AAAA" and resid 39 and name HN )
( segid "AAAA" and resid 39 and name HG* )
6.00 4.20 0.00 peak 265 volume 29.954 ppm1 7.702 ppm2 2.082
OR { 265 }
( segid "AAAA" and resid 39 and name HN )
( segid "AAAA" and resid 39 and name HG* )
OR { 265 }
( segid "AAAA" and resid 39 and name HN )
( segid "AAAA" and resid 39 and name HB* )
OR { 265 }
( segid "AAAA" and resid 39 and name HN )
( segid "AAAA" and resid 39 and name HB* )
assign ( segid "AAAA" and resid 11 and name HE2% )
( segid "AAAA" and resid 2 and name HD2# )
5.80 4.00 0.00 peak 266 volume 2.542 ppm1 7.422 ppm2 0.542
assign ( segid "AAAA" and resid 11 and name HE2% )
( segid "AAAA" and resid 11 and name HG* )
6.00 4.20 0.00 peak 267 volume 12.676 ppm1 6.722 ppm2 1.754
assign ( segid "AAAA" and resid 11 and name HE2% )
( segid "AAAA" and resid 2 and name HB1 )
5.50 3.70 0.00 peak 268 volume 3.628 ppm1 6.719 ppm2 1.427
assign ( segid "AAAA" and resid 11 and name HE2% )
( segid "AAAA" and resid 2 and name HD1# )
5.80 4.00 0.00 peak 269 volume 6.114 ppm1 6.721 ppm2 0.595
OR { 269 }
( segid "AAAA" and resid 11 and name HE2% )
( segid "AAAA" and resid 2 and name HD1# )
OR { 269 }
( segid "AAAA" and resid 11 and name HE2% )
( segid "AAAA" and resid 2 and name HD2# )
assign ( segid "AAAA" and resid 18 and name HN )
( segid "AAAA" and resid 17 and name HN )
5.50 3.70 0.00 peak 271 volume 4.787 ppm1 9.435 ppm2 8.505
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 26 and name HN )
5.50 3.70 0.00 peak 272 volume 6.147 ppm1 9.378 ppm2 8.972
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 20 and name HN )
5.50 3.70 0.00 peak 273 volume 2.991 ppm1 9.370 ppm2 8.361
assign ( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 17 and name HA )
5.50 3.70 0.00 peak 274 volume 10.253 ppm1 9.383 ppm2 4.789
OR { 274 }
( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 17 and name HA )
OR { 274 }
( segid "AAAA" and resid 25 and name HN )
( segid "AAAA" and resid 19 and name HA )
assign ( segid "AAAA" and resid 4 and name HN )
( segid "AAAA" and resid 5 and name HN )
5.50 3.70 0.00 peak 275 volume 4.110 ppm1 9.160 ppm2 9.598
assign ( segid "AAAA" and resid 29 and name HN )
( segid "AAAA" and resid 25 and name HD1# )
5.80 4.00 0.00 peak 276 volume 2.535 ppm1 9.195 ppm2 -0.108
assign ( segid "AAAA" and resid 32 and name HN )
( segid "AAAA" and resid 29 and name HN )
5.50 3.70 0.00 peak 277 volume 2.702 ppm1 7.568 ppm2 9.186
assign ( segid "AAAA" and resid 5 and name HN )
( segid "AAAA" and resid 6 and name HN )
5.50 3.70 0.00 peak 278 volume 20.406 ppm1 9.605 ppm2 9.914
assign ( segid "AAAA" and resid 5 and name HN )
( segid "AAAA" and resid 3 and name HD% )
5.50 3.70 0.00 peak 280 volume 5.080 ppm1 9.607 ppm2 6.962
assign ( segid "AAAA" and resid 5 and name HN )
( segid "AAAA" and resid 25 and name HA )
5.50 3.70 0.00 peak 281 volume 5.544 ppm1 9.604 ppm2 6.138
assign ( segid "AAAA" and resid 5 and name HN )
( segid "AAAA" and resid 5 and name HA )
6.00 4.20 0.00 peak 282 volume 18.753 ppm1 9.604 ppm2 4.405
assign ( segid "AAAA" and resid 5 and name HN )
( segid "AAAA" and resid 5 and name HB2 )
3.40 1.60 0.00 peak 283 volume 89.402 ppm1 9.604 ppm2 4.020
OR { 283 }
( segid "AAAA" and resid 5 and name HN )
( segid "AAAA" and resid 5 and name HB2 )
OR { 283 }
( segid "AAAA" and resid 5 and name HN )
( segid "AAAA" and resid 4 and name HA )
OR { 283 }
( segid "AAAA" and resid 5 and name HN )
( segid "AAAA" and resid 5 and name HB1 )
assign ( segid "AAAA" and resid 5 and name HN )
( segid "AAAA" and resid 4 and name HB1 )
5.50 3.70 0.00 peak 284 volume 5.786 ppm1 9.600 ppm2 3.502
assign ( segid "AAAA" and resid 5 and name HN )
( segid "AAAA" and resid 24 and name HB* )
5.50 3.70 0.00 peak 285 volume 21.122 ppm1 9.605 ppm2 3.252
assign ( segid "AAAA" and resid 5 and name HN )
( segid "AAAA" and resid 24 and name HB* )
5.50 3.70 0.00 peak 286 volume 16.348 ppm1 9.605 ppm2 2.765
assign ( segid "AAAA" and resid 6 and name HN )
( segid "AAAA" and resid 6 and name HD% )
6.00 4.20 0.00 peak 287 volume 22.603 ppm1 9.922 ppm2 7.417
assign ( segid "AAAA" and resid 4 and name HN )
( segid "AAAA" and resid 4 and name HB1 )
4.00 2.20 0.00 peak 288 volume 37.707 ppm1 9.162 ppm2 3.472
assign ( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 15 and name HD* )
6.00 4.20 0.00 peak 289 volume 5.727 ppm1 9.102 ppm2 3.226
OR { 289 }
( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 15 and name HD* )
OR { 289 }
( segid "AAAA" and resid 15 and name HN )
( segid "AAAA" and resid 15 and name HD* )
assign ( segid "AAAA" and resid 18 and name HN )
( segid "AAAA" and resid 24 and name HA )
5.50 3.70 0.00 peak 290 volume 3.998 ppm1 9.434 ppm2 5.687
assign ( segid "AAAA" and resid 26 and name HN )
( segid "AAAA" and resid 26 and name HA )
6.00 4.20 0.00 peak 291 volume 16.162 ppm1 9.015 ppm2 5.953
assign ( segid "AAAA" and resid 26 and name HN )
( segid "AAAA" and resid 25 and name HA )
2.90 1.10 0.00 peak 292 volume 61.926 ppm1 9.012 ppm2 6.131
assign ( segid "AAAA" and resid 26 and name HN )
( segid "AAAA" and resid 25 and name HG2# )
5.80 4.00 0.00 peak 295 volume 12.792 ppm1 9.013 ppm2 0.597
assign ( segid "AAAA" and resid 26 and name HN )
( segid "AAAA" and resid 25 and name HD1# )
5.80 4.00 0.00 peak 296 volume 9.237 ppm1 9.014 ppm2 -0.119
assign ( segid "AAAA" and resid 36 and name HN )
( segid "AAAA" and resid 35 and name HA )
5.50 3.70 0.00 peak 297 volume 10.017 ppm1 7.879 ppm2 4.398
! spectrum: motherc-run90.xpk
! using intensity strong threshold of 20.00
! using intensity medium threshold of 8.00
!
! using strong restraint of 2.90
! using medium restraint of 3.50
! using weak restraint of 5.50
assign ( segid "AAAA" and resid 1 and name HA )
( segid "AAAA" and resid 2 and name HN )
5.50 3.70 0.00 peak 0 volume 35.938 ppm1 4.235 ppm2 7.848
assign ( segid "AAAA" and resid 1 and name HA )
( segid "AAAA" and resid 1 and name HB2 )
4.00 2.20 0.00 peak 2 volume 10.573 ppm1 4.237 ppm2 1.440
assign ( segid "AAAA" and resid 1 and name HA )
( segid "AAAA" and resid 1 and name HD2# )
4.30 2.50 0.00 peak 3 volume 15.743 ppm1 4.233 ppm2 0.814
assign ( segid "AAAA" and resid 1 and name HB2 )
( segid "AAAA" and resid 1 and name HD2# )
4.30 2.50 0.00 peak 4 volume 8.695 ppm1 1.500 ppm2 0.849
OR { 4 }
( segid "AAAA" and resid 1 and name HB2 )
( segid "AAAA" and resid 1 and name HD2# )
OR { 4 }
( segid "AAAA" and resid 1 and name HB1 )
( segid "AAAA" and resid 1 and name HD1# )
assign ( segid "AAAA" and resid 1 and name HB1 )
( segid "AAAA" and resid 1 and name HA )
6.00 4.20 0.00 peak 5 volume 4.095 ppm1 1.500 ppm2 4.248
assign ( segid "AAAA" and resid 2 and name HB2 )
( segid "AAAA" and resid 2 and name HA )
6.00 4.20 0.00 peak 6 volume 4.583 ppm1 1.237 ppm2 4.251
assign ( segid "AAAA" and resid 2 and name HB2 )
( segid "AAAA" and resid 1 and name HD1# )
5.80 4.00 0.00 peak 7 volume 4.029 ppm1 1.244 ppm2 0.845
assign ( segid "AAAA" and resid 30 and name HG1# )
( segid "AAAA" and resid 30 and name HN )
4.30 2.50 0.00 peak 8 volume 12.965 ppm1 0.799 ppm2 8.529
assign ( segid "AAAA" and resid 1 and name HD2# )
( segid "AAAA" and resid 1 and name HA )
4.30 2.50 0.00 peak 9 volume 14.239 ppm1 0.798 ppm2 4.217
assign ( segid "AAAA" and resid 2 and name HA )
( segid "AAAA" and resid 3 and name HN )
3.50 1.70 0.00 peak 10 volume 15.431 ppm1 4.235 ppm2 7.590
assign ( segid "AAAA" and resid 2 and name HA )
( segid "AAAA" and resid 11 and name HB* )
5.50 3.70 0.00 peak 11 volume 3.156 ppm1 4.242 ppm2 1.858
assign ( segid "AAAA" and resid 2 and name HA )
( segid "AAAA" and resid 2 and name HG )
6.00 4.20 0.00 peak 12 volume 6.218 ppm1 4.222 ppm2 1.001
assign ( segid "AAAA" and resid 3 and name HA )
( segid "AAAA" and resid 4 and name HN )
3.50 1.70 0.00 peak 13 volume 11.140 ppm1 4.865 ppm2 9.156
assign ( segid "AAAA" and resid 3 and name HA )
( segid "AAAA" and resid 11 and name HN )
5.50 3.70 0.00 peak 14 volume 3.756 ppm1 4.873 ppm2 8.099
assign ( segid "AAAA" and resid 3 and name HA )
( segid "AAAA" and resid 3 and name HB1 )
6.00 4.20 0.00 peak 15 volume 7.990 ppm1 4.865 ppm2 2.463
OR { 15 }
( segid "AAAA" and resid 3 and name HA )
( segid "AAAA" and resid 3 and name HB1 )
OR { 15 }
( segid "AAAA" and resid 3 and name HA )
( segid "AAAA" and resid 3 and name HB2 )
assign ( segid "AAAA" and resid 3 and name HA )
( segid "AAAA" and resid 17 and name HD2# )
5.80 4.00 0.00 peak 16 volume 1.906 ppm1 4.874 ppm2 0.464
assign ( segid "AAAA" and resid 3 and name HB1 )
( segid "AAAA" and resid 10 and name HN )
5.50 3.70 0.00 peak 17 volume 2.471 ppm1 2.516 ppm2 9.143
OR { 17 }
( segid "AAAA" and resid 3 and name HB1 )
( segid "AAAA" and resid 10 and name HN )
OR { 17 }
( segid "AAAA" and resid 3 and name HB1 )
( segid "AAAA" and resid 4 and name HN )
assign ( segid "AAAA" and resid 27 and name HB* )
( segid "AAAA" and resid 27 and name HN )
6.00 4.20 0.00 peak 18 volume 2.626 ppm1 2.425 ppm2 9.039
assign ( segid "AAAA" and resid 3 and name HB1 )
( segid "AAAA" and resid 3 and name HN )
6.00 4.20 0.00 peak 19 volume 2.827 ppm1 2.512 ppm2 7.581
assign ( segid "AAAA" and resid 3 and name HB2 )
( segid "AAAA" and resid 3 and name HN )
6.00 4.20 0.00 peak 20 volume 2.401 ppm1 2.407 ppm2 7.562
assign ( segid "AAAA" and resid 3 and name HB1 )
( segid "AAAA" and resid 3 and name HD% )
6.00 4.20 0.00 peak 21 volume 2.818 ppm1 2.511 ppm2 6.921
assign ( segid "AAAA" and resid 3 and name HB1 )
( segid "AAAA" and resid 3 and name HA )
6.00 4.20 0.00 peak 22 volume 2.416 ppm1 2.514 ppm2 4.828
assign ( segid "AAAA" and resid 3 and name HB2 )
( segid "AAAA" and resid 3 and name HA )
6.00 4.20 0.00 peak 23 volume 2.015 ppm1 2.406 ppm2 4.839
assign ( segid "AAAA" and resid 3 and name HB2 )
( segid "AAAA" and resid 3 and name HD% )
6.00 4.20 0.00 peak 24 volume 3.590 ppm1 2.407 ppm2 6.994
assign ( segid "AAAA" and resid 4 and name HA )
( segid "AAAA" and resid 5 and name HN )
3.50 1.70 0.00 peak 25 volume 12.393 ppm1 4.013 ppm2 9.610
assign ( segid "AAAA" and resid 4 and name HA )
( segid "AAAA" and resid 4 and name HN )
6.00 4.20 0.00 peak 26 volume 3.090 ppm1 4.011 ppm2 9.146
assign ( segid "AAAA" and resid 4 and name HA )
( segid "AAAA" and resid 4 and name HB2 )
6.00 4.20 0.00 peak 27 volume 7.886 ppm1 4.014 ppm2 2.718
assign ( segid "AAAA" and resid 4 and name HB1 )
( segid "AAAA" and resid 4 and name HN )
6.00 4.20 0.00 peak 28 volume 4.741 ppm1 3.470 ppm2 9.160
assign ( segid "AAAA" and resid 4 and name HB2 )
( segid "AAAA" and resid 4 and name HN )
6.00 4.20 0.00 peak 29 volume 4.433 ppm1 2.685 ppm2 9.149
assign ( segid "AAAA" and resid 4 and name HB1 )
( segid "AAAA" and resid 9 and name HN )
5.50 3.70 0.00 peak 30 volume 2.422 ppm1 3.473 ppm2 8.746
assign ( segid "AAAA" and resid 4 and name HB2 )
( segid "AAAA" and resid 9 and name HN )
5.50 3.70 0.00 peak 31 volume 2.868 ppm1 2.673 ppm2 8.705
OR { 31 }
( segid "AAAA" and resid 4 and name HB2 )
( segid "AAAA" and resid 9 and name HN )
OR { 31 }
( segid "AAAA" and resid 4 and name HB2 )
( segid "AAAA" and resid 7 and name HN )
assign ( segid "AAAA" and resid 4 and name HB1 )
( segid "AAAA" and resid 4 and name HA )
6.00 4.20 0.00 peak 32 volume 3.069 ppm1 3.469 ppm2 4.003
assign ( segid "AAAA" and resid 4 and name HB2 )
( segid "AAAA" and resid 4 and name HA )
6.00 4.20 0.00 peak 33 volume 3.402 ppm1 2.682 ppm2 4.014
assign ( segid "AAAA" and resid 4 and name HB1 )
( segid "AAAA" and resid 17 and name HD2# )
5.80 4.00 0.00 peak 34 volume 2.458 ppm1 3.476 ppm2 0.498
assign ( segid "AAAA" and resid 4 and name HB2 )
( segid "AAAA" and resid 17 and name HD2# )
5.80 4.00 0.00 peak 35 volume 3.608 ppm1 2.687 ppm2 0.518
assign ( segid "AAAA" and resid 5 and name HA )
( segid "AAAA" and resid 5 and name HN )
6.00 4.20 0.00 peak 36 volume 3.278 ppm1 4.415 ppm2 9.606
assign ( segid "AAAA" and resid 18 and name HA )
( segid "AAAA" and resid 19 and name HN )
3.50 1.70 0.00 peak 37 volume 17.916 ppm1 4.202 ppm2 8.600
assign ( segid "AAAA" and resid 18 and name HA )
( segid "AAAA" and resid 18 and name HN )
6.00 4.20 0.00 peak 38 volume 4.551 ppm1 4.200 ppm2 9.480
assign ( segid "AAAA" and resid 6 and name HA )
( segid "AAAA" and resid 6 and name HB2 )
4.00 2.20 0.00 peak 39 volume 8.517 ppm1 4.198 ppm2 3.139
assign ( segid "AAAA" and resid 6 and name HA )
( segid "AAAA" and resid 6 and name HN )
6.00 4.20 0.00 peak 40 volume 3.911 ppm1 4.202 ppm2 9.881
assign ( segid "AAAA" and resid 6 and name HB1 )
( segid "AAAA" and resid 6 and name HN )
6.00 4.20 0.00 peak 41 volume 1.756 ppm1 3.929 ppm2 9.924
assign ( segid "AAAA" and resid 6 and name HB1 )
( segid "AAAA" and resid 7 and name HN )
5.50 3.70 0.00 peak 42 volume 2.046 ppm1 3.921 ppm2 8.677
assign ( segid "AAAA" and resid 6 and name HB1 )
( segid "AAAA" and resid 6 and name HD% )
6.00 4.20 0.00 peak 43 volume 2.369 ppm1 3.910 ppm2 7.392
assign ( segid "AAAA" and resid 6 and name HB1 )
( segid "AAAA" and resid 6 and name HA )
6.00 4.20 0.00 peak 44 volume 3.958 ppm1 3.919 ppm2 4.194
assign ( segid "AAAA" and resid 7 and name HA )
( segid "AAAA" and resid 7 and name HN )
6.00 4.20 0.00 peak 45 volume 6.382 ppm1 4.984 ppm2 8.689
assign ( segid "AAAA" and resid 7 and name HA )
( segid "AAAA" and resid 8 and name HN )
5.50 3.70 0.00 peak 46 volume 3.581 ppm1 4.985 ppm2 7.630
assign ( segid "AAAA" and resid 7 and name HA )
( segid "AAAA" and resid 7 and name HB1 )
3.40 1.60 0.00 peak 47 volume 24.040 ppm1 4.984 ppm2 3.182
assign ( segid "AAAA" and resid 7 and name HA )
( segid "AAAA" and resid 7 and name HB2 )
4.00 2.20 0.00 peak 48 volume 19.785 ppm1 4.984 ppm2 2.661
assign ( segid "AAAA" and resid 7 and name HB2 )
( segid "AAAA" and resid 7 and name HN )
6.00 4.20 0.00 peak 49 volume 3.150 ppm1 2.665 ppm2 8.686
assign ( segid "AAAA" and resid 7 and name HB1 )
( segid "AAAA" and resid 7 and name HN )
6.00 4.20 0.00 peak 50 volume 3.009 ppm1 3.187 ppm2 8.698
assign ( segid "AAAA" and resid 7 and name HB1 )
( segid "AAAA" and resid 7 and name HA )
4.00 2.20 0.00 peak 51 volume 12.246 ppm1 3.186 ppm2 4.985
assign ( segid "AAAA" and resid 7 and name HB2 )
( segid "AAAA" and resid 7 and name HA )
4.00 2.20 0.00 peak 52 volume 11.133 ppm1 2.654 ppm2 4.975
assign ( segid "AAAA" and resid 8 and name HA1 )
( segid "AAAA" and resid 9 and name HN )
5.50 3.70 0.00 peak 53 volume 3.193 ppm1 4.219 ppm2 8.743
assign ( segid "AAAA" and resid 8 and name HA2 )
( segid "AAAA" and resid 9 and name HN )
5.50 3.70 0.00 peak 54 volume 2.194 ppm1 3.961 ppm2 8.769
assign ( segid "AAAA" and resid 8 and name HA1 )
( segid "AAAA" and resid 8 and name HN )
6.00 4.20 0.00 peak 55 volume 7.501 ppm1 4.221 ppm2 7.626
assign ( segid "AAAA" and resid 8 and name HA2 )
( segid "AAAA" and resid 8 and name HN )
6.00 4.20 0.00 peak 56 volume 6.648 ppm1 3.953 ppm2 7.631
assign ( segid "AAAA" and resid 9 and name HA )
( segid "AAAA" and resid 10 and name HN )
2.90 1.10 0.00 peak 57 volume 20.336 ppm1 4.327 ppm2 9.128
assign ( segid "AAAA" and resid 12 and name HA )
( segid "AAAA" and resid 12 and name HN )
6.00 4.20 0.00 peak 58 volume 4.725 ppm1 4.790 ppm2 7.527
assign ( segid "AAAA" and resid 12 and name HB* )
( segid "AAAA" and resid 12 and name HA )
6.00 4.20 0.00 peak 59 volume 6.945 ppm1 3.238 ppm2 4.770
assign ( segid "AAAA" and resid 12 and name HB* )
( segid "AAAA" and resid 12 and name HA )
6.00 4.20 0.00 peak 60 volume 5.989 ppm1 2.845 ppm2 4.751
assign ( segid "AAAA" and resid 13 and name HA )
( segid "AAAA" and resid 14 and name HN )
5.50 3.70 0.00 peak 61 volume 5.148 ppm1 4.434 ppm2 6.980
assign ( segid "AAAA" and resid 14 and name HA )
( segid "AAAA" and resid 15 and name HN )
3.50 1.70 0.00 peak 62 volume 13.399 ppm1 4.898 ppm2 9.095
assign ( segid "AAAA" and resid 14 and name HA )
( segid "AAAA" and resid 14 and name HN )
6.00 4.20 0.00 peak 63 volume 6.112 ppm1 4.899 ppm2 6.974
assign ( segid "AAAA" and resid 14 and name HA )
( segid "AAAA" and resid 14 and name HB )
4.00 2.20 0.00 peak 64 volume 18.234 ppm1 4.899 ppm2 2.701
assign ( segid "AAAA" and resid 14 and name HA )
( segid "AAAA" and resid 14 and name HG1# )
4.30 2.50 0.00 peak 66 volume 15.336 ppm1 4.899 ppm2 0.960
assign ( segid "AAAA" and resid 14 and name HA )
( segid "AAAA" and resid 14 and name HG2# )
6.30 4.50 0.00 peak 67 volume 6.026 ppm1 4.900 ppm2 0.692
assign ( segid "AAAA" and resid 14 and name HB )
( segid "AAAA" and resid 15 and name HN )
3.50 1.70 0.00 peak 68 volume 9.135 ppm1 2.709 ppm2 9.080
assign ( segid "AAAA" and resid 14 and name HB )
( segid "AAAA" and resid 14 and name HA )
6.00 4.20 0.00 peak 69 volume 7.316 ppm1 2.707 ppm2 4.900
assign ( segid "AAAA" and resid 14 and name HB )
( segid "AAAA" and resid 14 and name HG1# )
6.30 4.50 0.00 peak 70 volume 6.001 ppm1 2.705 ppm2 0.987
assign ( segid "AAAA" and resid 14 and name HB )
( segid "AAAA" and resid 14 and name HG2# )
6.30 4.50 0.00 peak 71 volume 7.209 ppm1 2.708 ppm2 0.659
assign ( segid "AAAA" and resid 15 and name HA )
( segid "AAAA" and resid 15 and name HN )
6.00 4.20 0.00 peak 72 volume 6.193 ppm1 4.247 ppm2 9.114
assign ( segid "AAAA" and resid 15 and name HA )
( segid "AAAA" and resid 16 and name HN )
5.50 3.70 0.00 peak 73 volume 4.181 ppm1 4.253 ppm2 8.551
assign ( segid "AAAA" and resid 14 and name HG1# )
( segid "AAAA" and resid 14 and name HN )
4.30 2.50 0.00 peak 74 volume 8.279 ppm1 0.963 ppm2 6.975
assign ( segid "AAAA" and resid 14 and name HG1# )
( segid "AAAA" and resid 14 and name HA )
4.30 2.50 0.00 peak 75 volume 15.276 ppm1 0.961 ppm2 4.904
assign ( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 15 and name HN )
6.00 4.20 0.00 peak 76 volume 5.706 ppm1 1.824 ppm2 9.079
OR { 76 }
( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 15 and name HN )
OR { 76 }
( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 15 and name HN )
assign ( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 16 and name HN )
5.50 3.70 0.00 peak 77 volume 5.121 ppm1 1.825 ppm2 8.533
OR { 77 }
( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 16 and name HN )
OR { 77 }
( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 16 and name HN )
assign ( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 15 and name HA )
4.00 2.20 0.00 peak 78 volume 10.300 ppm1 1.826 ppm2 4.252
OR { 78 }
( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 15 and name HA )
OR { 78 }
( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 15 and name HA )
assign ( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 15 and name HD* )
4.00 2.20 0.00 peak 79 volume 8.032 ppm1 1.832 ppm2 3.232
OR { 79 }
( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 15 and name HD* )
OR { 79 }
( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 15 and name HD* )
assign ( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 27 and name HB* )
5.50 3.70 0.00 peak 80 volume 4.439 ppm1 1.850 ppm2 2.678
OR { 80 }
( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 27 and name HB* )
OR { 80 }
( segid "AAAA" and resid 15 and name HB* )
( segid "AAAA" and resid 27 and name HB* )
assign ( segid "AAAA" and resid 16 and name HA )
( segid "AAAA" and resid 17 and name HN )
2.90 1.10 0.00 peak 81 volume 24.301 ppm1 4.488 ppm2 8.451
assign ( segid "AAAA" and resid 16 and name HA )
( segid "AAAA" and resid 16 and name HB* )
4.00 2.20 0.00 peak 82 volume 16.882 ppm1 4.488 ppm2 1.651
OR { 82 }
( segid "AAAA" and resid 16 and name HA )
( segid "AAAA" and resid 16 and name HB* )
OR { 82 }
( segid "AAAA" and resid 16 and name HA )
( segid "AAAA" and resid 16 and name HB* )
assign ( segid "AAAA" and resid 16 and name HA )
( segid "AAAA" and resid 16 and name HG* )
6.00 4.20 0.00 peak 83 volume 6.791 ppm1 4.486 ppm2 1.259
OR { 83 }
( segid "AAAA" and resid 16 and name HA )
( segid "AAAA" and resid 16 and name HG* )
OR { 83 }
( segid "AAAA" and resid 16 and name HA )
( segid "AAAA" and resid 16 and name HG* )
assign ( segid "AAAA" and resid 16 and name HB* )
( segid "AAAA" and resid 17 and name HN )
5.50 3.70 0.00 peak 84 volume 3.016 ppm1 1.624 ppm2 8.509
assign ( segid "AAAA" and resid 16 and name HB* )
( segid "AAAA" and resid 16 and name HA )
6.00 4.20 0.00 peak 85 volume 4.994 ppm1 1.632 ppm2 4.498
OR { 85 }
( segid "AAAA" and resid 16 and name HB* )
( segid "AAAA" and resid 16 and name HA )
OR { 85 }
( segid "AAAA" and resid 16 and name HB* )
( segid "AAAA" and resid 16 and name HA )
assign ( segid "AAAA" and resid 16 and name HB* )
( segid "AAAA" and resid 16 and name HG* )
4.00 2.20 0.00 peak 86 volume 9.281 ppm1 1.636 ppm2 1.261
OR { 86 }
( segid "AAAA" and resid 16 and name HB* )
( segid "AAAA" and resid 16 and name HG* )
OR { 86 }
( segid "AAAA" and resid 16 and name HB* )
( segid "AAAA" and resid 16 and name HG* )
assign ( segid "AAAA" and resid 17 and name HA )
( segid "AAAA" and resid 18 and name HN )
5.50 3.70 0.00 peak 87 volume 7.018 ppm1 4.815 ppm2 9.420
assign ( segid "AAAA" and resid 17 and name HA )
( segid "AAAA" and resid 17 and name HN )
6.00 4.20 0.00 peak 88 volume 4.614 ppm1 4.806 ppm2 8.448
assign ( segid "AAAA" and resid 17 and name HA )
( segid "AAAA" and resid 26 and name HA )
5.50 3.70 0.00 peak 89 volume 5.982 ppm1 4.817 ppm2 6.001
assign ( segid "AAAA" and resid 17 and name HA )
( segid "AAAA" and resid 17 and name HD2# )
4.30 2.50 0.00 peak 90 volume 8.870 ppm1 4.818 ppm2 0.517
OR { 90 }
( segid "AAAA" and resid 17 and name HA )
( segid "AAAA" and resid 17 and name HD2# )
OR { 90 }
( segid "AAAA" and resid 17 and name HA )
( segid "AAAA" and resid 17 and name HD1# )
assign ( segid "AAAA" and resid 17 and name HB* )
( segid "AAAA" and resid 17 and name HN )
6.00 4.20 0.00 peak 91 volume 3.696 ppm1 1.623 ppm2 8.448
assign ( segid "AAAA" and resid 17 and name HB* )
( segid "AAAA" and resid 17 and name HA )
6.00 4.20 0.00 peak 92 volume 2.951 ppm1 1.623 ppm2 4.829
assign ( segid "AAAA" and resid 17 and name HB* )
( segid "AAAA" and resid 17 and name HD1# )
6.30 4.50 0.00 peak 93 volume 7.037 ppm1 1.621 ppm2 0.514
OR { 93 }
( segid "AAAA" and resid 17 and name HB* )
( segid "AAAA" and resid 17 and name HD1# )
OR { 93 }
( segid "AAAA" and resid 17 and name HB* )
( segid "AAAA" and resid 17 and name HD2# )
assign ( segid "AAAA" and resid 17 and name HB* )
( segid "AAAA" and resid 17 and name HN )
6.00 4.20 0.00 peak 94 volume 3.794 ppm1 1.180 ppm2 8.444
assign ( segid "AAAA" and resid 17 and name HB* )
( segid "AAAA" and resid 17 and name HA )
6.00 4.20 0.00 peak 95 volume 4.492 ppm1 1.186 ppm2 4.834
assign ( segid "AAAA" and resid 17 and name HB* )
( segid "AAAA" and resid 17 and name HD1# )
6.30 4.50 0.00 peak 96 volume 7.345 ppm1 1.182 ppm2 0.538
assign ( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 18 and name HN )
5.80 4.00 0.00 peak 97 volume 3.398 ppm1 0.527 ppm2 9.416
OR { 97 }
( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 18 and name HN )
OR { 97 }
( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 18 and name HN )
OR { 97 }
( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 25 and name HN )
assign ( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 26 and name HA )
5.80 4.00 0.00 peak 98 volume 4.874 ppm1 0.523 ppm2 6.016
OR { 98 }
( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 26 and name HA )
OR { 98 }
( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 26 and name HA )
assign ( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 4 and name HA )
5.80 4.00 0.00 peak 99 volume 6.976 ppm1 0.524 ppm2 4.010
assign ( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 4 and name HB1 )
5.80 4.00 0.00 peak 100 volume 5.133 ppm1 0.524 ppm2 3.452
OR { 100 }
( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 4 and name HB1 )
OR { 100 }
( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 26 and name HB* )
assign ( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 26 and name HB* )
3.80 2.00 0.00 peak 101 volume 10.454 ppm1 0.526 ppm2 2.778
OR { 101 }
( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 26 and name HB* )
OR { 101 }
( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 24 and name HB* )
assign ( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 26 and name HA )
5.80 4.00 0.00 peak 102 volume 2.537 ppm1 0.480 ppm2 6.013
OR { 102 }
( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 26 and name HA )
OR { 102 }
( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 26 and name HA )
assign ( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 17 and name HA )
6.30 4.50 0.00 peak 103 volume 5.734 ppm1 0.479 ppm2 4.825
OR { 103 }
( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 17 and name HA )
OR { 103 }
( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 3 and name HA )
assign ( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 26 and name HB* )
5.80 4.00 0.00 peak 104 volume 4.269 ppm1 0.481 ppm2 3.431
assign ( segid "AAAA" and resid 18 and name HB )
( segid "AAAA" and resid 18 and name HN )
6.00 4.20 0.00 peak 105 volume 7.155 ppm1 2.094 ppm2 9.419
assign ( segid "AAAA" and resid 18 and name HB )
( segid "AAAA" and resid 18 and name HG2# )
4.30 2.50 0.00 peak 106 volume 8.466 ppm1 2.093 ppm2 0.993
assign ( segid "AAAA" and resid 18 and name HB )
( segid "AAAA" and resid 25 and name HG2# )
3.80 2.00 0.00 peak 107 volume 8.570 ppm1 2.090 ppm2 0.670
assign ( segid "AAAA" and resid 18 and name HG2# )
( segid "AAAA" and resid 18 and name HN )
6.30 4.50 0.00 peak 108 volume 4.958 ppm1 0.995 ppm2 9.407
assign ( segid "AAAA" and resid 18 and name HG2# )
( segid "AAAA" and resid 19 and name HN )
3.80 2.00 0.00 peak 109 volume 8.601 ppm1 0.990 ppm2 8.603
assign ( segid "AAAA" and resid 18 and name HD1# )
( segid "AAAA" and resid 25 and name HN )
5.80 4.00 0.00 peak 110 volume 2.830 ppm1 0.801 ppm2 9.411
OR { 110 }
( segid "AAAA" and resid 18 and name HD1# )
( segid "AAAA" and resid 25 and name HN )
OR { 110 }
( segid "AAAA" and resid 18 and name HD1# )
( segid "AAAA" and resid 18 and name HN )
assign ( segid "AAAA" and resid 19 and name HB1 )
( segid "AAAA" and resid 19 and name HN )
4.00 2.20 0.00 peak 111 volume 17.424 ppm1 1.535 ppm2 8.576
assign ( segid "AAAA" and resid 19 and name HB1 )
( segid "AAAA" and resid 19 and name HN )
4.00 2.20 0.00 peak 112 volume 17.424 ppm1 1.535 ppm2 8.576
assign ( segid "AAAA" and resid 19 and name HB1 )
( segid "AAAA" and resid 19 and name HA )
4.00 2.20 0.00 peak 113 volume 19.242 ppm1 1.531 ppm2 4.758
assign ( segid "AAAA" and resid 20 and name HA* )
( segid "AAAA" and resid 20 and name HN )
6.00 4.20 0.00 peak 114 volume 4.460 ppm1 3.120 ppm2 8.317
assign ( segid "AAAA" and resid 21 and name HA )
( segid "AAAA" and resid 22 and name HN )
5.50 3.70 0.00 peak 115 volume 3.482 ppm1 4.443 ppm2 8.170
assign ( segid "AAAA" and resid 21 and name HA )
( segid "AAAA" and resid 23 and name HN )
5.50 3.70 0.00 peak 116 volume 1.802 ppm1 4.442 ppm2 6.407
assign ( segid "AAAA" and resid 23 and name HA )
( segid "AAAA" and resid 24 and name HN )
3.50 1.70 0.00 peak 117 volume 16.703 ppm1 4.276 ppm2 8.662
assign ( segid "AAAA" and resid 23 and name HA )
( segid "AAAA" and resid 23 and name HN )
6.00 4.20 0.00 peak 118 volume 4.006 ppm1 4.274 ppm2 6.445
assign ( segid "AAAA" and resid 23 and name HB )
( segid "AAAA" and resid 24 and name HN )
5.50 3.70 0.00 peak 119 volume 6.482 ppm1 1.720 ppm2 8.674
assign ( segid "AAAA" and resid 23 and name HB )
( segid "AAAA" and resid 23 and name HA )
4.00 2.20 0.00 peak 120 volume 9.617 ppm1 1.723 ppm2 4.273
assign ( segid "AAAA" and resid 23 and name HB )
( segid "AAAA" and resid 6 and name HE% )
5.50 3.70 0.00 peak 121 volume 1.802 ppm1 1.718 ppm2 7.029
OR { 121 }
( segid "AAAA" and resid 23 and name HB )
( segid "AAAA" and resid 6 and name HE% )
OR { 121 }
( segid "AAAA" and resid 9 and name HB2 )
( segid "AAAA" and resid 14 and name HN )
assign ( segid "AAAA" and resid 23 and name HB )
( segid "AAAA" and resid 23 and name HN )
6.00 4.20 0.00 peak 122 volume 1.766 ppm1 1.728 ppm2 6.398
assign ( segid "AAAA" and resid 23 and name HG1# )
( segid "AAAA" and resid 24 and name HN )
5.80 4.00 0.00 peak 123 volume 3.283 ppm1 0.261 ppm2 8.662
assign ( segid "AAAA" and resid 23 and name HG1# )
( segid "AAAA" and resid 23 and name HN )
6.30 4.50 0.00 peak 124 volume 4.268 ppm1 0.252 ppm2 6.446
assign ( segid "AAAA" and resid 23 and name HG2# )
( segid "AAAA" and resid 24 and name HN )
5.80 4.00 0.00 peak 125 volume 4.858 ppm1 0.083 ppm2 8.661
assign ( segid "AAAA" and resid 23 and name HG2# )
( segid "AAAA" and resid 23 and name HN )
6.30 4.50 0.00 peak 126 volume 4.455 ppm1 0.084 ppm2 6.443
assign ( segid "AAAA" and resid 23 and name HG2# )
( segid "AAAA" and resid 22 and name HB* )
3.80 2.00 0.00 peak 127 volume 12.183 ppm1 0.084 ppm2 4.142
OR { 127 }
( segid "AAAA" and resid 23 and name HG2# )
( segid "AAAA" and resid 22 and name HB* )
OR { 127 }
( segid "AAAA" and resid 23 and name HG2# )
( segid "AAAA" and resid 22 and name HB* )
assign ( segid "AAAA" and resid 23 and name HG2# )
( segid "AAAA" and resid 20 and name HA* )
5.80 4.00 0.00 peak 128 volume 3.713 ppm1 0.085 ppm2 3.154
assign ( segid "AAAA" and resid 23 and name HG2# )
( segid "AAAA" and resid 21 and name HB* )
5.80 4.00 0.00 peak 129 volume 3.429 ppm1 0.088 ppm2 2.098
OR { 129 }
( segid "AAAA" and resid 23 and name HG2# )
( segid "AAAA" and resid 21 and name HB* )
OR { 129 }
( segid "AAAA" and resid 23 and name HG2# )
( segid "AAAA" and resid 21 and name HB* )
assign ( segid "AAAA" and resid 24 and name HA )
( segid "AAAA" and resid 25 and name HN )
3.50 1.70 0.00 peak 130 volume 14.448 ppm1 5.676 ppm2 9.392
assign ( segid "AAAA" and resid 24 and name HA )
( segid "AAAA" and resid 24 and name HN )
6.00 4.20 0.00 peak 131 volume 3.400 ppm1 5.676 ppm2 8.654
assign ( segid "AAAA" and resid 24 and name HA )
( segid "AAAA" and resid 20 and name HN )
5.50 3.70 0.00 peak 132 volume 3.827 ppm1 5.678 ppm2 8.327
assign ( segid "AAAA" and resid 24 and name HA )
( segid "AAAA" and resid 24 and name HD% )
6.00 4.20 0.00 peak 133 volume 5.405 ppm1 5.678 ppm2 7.000
assign ( segid "AAAA" and resid 24 and name HA )
( segid "AAAA" and resid 19 and name HA )
5.50 3.70 0.00 peak 134 volume 5.543 ppm1 5.679 ppm2 4.767
assign ( segid "AAAA" and resid 24 and name HA )
( segid "AAAA" and resid 24 and name HB* )
6.00 4.20 0.00 peak 135 volume 4.738 ppm1 5.679 ppm2 3.271
assign ( segid "AAAA" and resid 24 and name HA )
( segid "AAAA" and resid 24 and name HB* )
6.00 4.20 0.00 peak 136 volume 6.981 ppm1 5.676 ppm2 2.779
assign ( segid "AAAA" and resid 24 and name HB* )
( segid "AAAA" and resid 18 and name HN )
5.50 3.70 0.00 peak 137 volume 2.177 ppm1 3.254 ppm2 9.489
assign ( segid "AAAA" and resid 24 and name HB* )
( segid "AAAA" and resid 18 and name HN )
5.50 3.70 0.00 peak 138 volume 1.637 ppm1 2.772 ppm2 9.443
OR { 138 }
( segid "AAAA" and resid 24 and name HB* )
( segid "AAAA" and resid 18 and name HN )
OR { 138 }
( segid "AAAA" and resid 24 and name HB* )
( segid "AAAA" and resid 25 and name HN )
assign ( segid "AAAA" and resid 24 and name HB* )
( segid "AAAA" and resid 24 and name HN )
6.00 4.20 0.00 peak 139 volume 2.371 ppm1 3.250 ppm2 8.652
assign ( segid "AAAA" and resid 24 and name HB* )
( segid "AAAA" and resid 24 and name HD% )
6.00 4.20 0.00 peak 140 volume 3.377 ppm1 3.253 ppm2 6.935
assign ( segid "AAAA" and resid 24 and name HB* )
( segid "AAAA" and resid 24 and name HE% )
6.00 4.20 0.00 peak 141 volume 3.519 ppm1 2.783 ppm2 6.968
OR { 141 }
( segid "AAAA" and resid 24 and name HB* )
( segid "AAAA" and resid 24 and name HE% )
OR { 141 }
( segid "AAAA" and resid 24 and name HB* )
( segid "AAAA" and resid 24 and name HD% )
assign ( segid "AAAA" and resid 24 and name HB* )
( segid "AAAA" and resid 24 and name HA )
6.00 4.20 0.00 peak 142 volume 2.195 ppm1 3.244 ppm2 5.723
assign ( segid "AAAA" and resid 24 and name HB* )
( segid "AAAA" and resid 24 and name HA )
6.00 4.20 0.00 peak 143 volume 3.411 ppm1 2.782 ppm2 5.679
assign ( segid "AAAA" and resid 25 and name HA )
( segid "AAAA" and resid 25 and name HN )
6.00 4.20 0.00 peak 144 volume 3.158 ppm1 6.133 ppm2 9.414
assign ( segid "AAAA" and resid 25 and name HA )
( segid "AAAA" and resid 26 and name HN )
3.50 1.70 0.00 peak 145 volume 12.114 ppm1 6.130 ppm2 9.018
assign ( segid "AAAA" and resid 25 and name HA )
( segid "AAAA" and resid 6 and name HD% )
5.50 3.70 0.00 peak 146 volume 2.306 ppm1 6.131 ppm2 7.418
assign ( segid "AAAA" and resid 25 and name HA )
( segid "AAAA" and resid 6 and name HD% )
5.50 3.70 0.00 peak 147 volume 2.306 ppm1 6.131 ppm2 7.418
assign ( segid "AAAA" and resid 25 and name HA )
( segid "AAAA" and resid 4 and name HA )
5.50 3.70 0.00 peak 148 volume 2.238 ppm1 6.137 ppm2 3.999
assign ( segid "AAAA" and resid 25 and name HA )
( segid "AAAA" and resid 6 and name HB2 )
5.50 3.70 0.00 peak 149 volume 2.401 ppm1 6.129 ppm2 3.083
OR { 149 }
( segid "AAAA" and resid 25 and name HA )
( segid "AAAA" and resid 6 and name HB2 )
OR { 149 }
( segid "AAAA" and resid 25 and name HA )
( segid "AAAA" and resid 29 and name HB* )
assign ( segid "AAAA" and resid 25 and name HA )
( segid "AAAA" and resid 25 and name HB )
6.00 4.20 0.00 peak 150 volume 7.124 ppm1 6.132 ppm2 1.831
assign ( segid "AAAA" and resid 25 and name HA )
( segid "AAAA" and resid 25 and name HG11 )
6.00 4.20 0.00 peak 151 volume 4.490 ppm1 6.132 ppm2 1.515
assign ( segid "AAAA" and resid 25 and name HA )
( segid "AAAA" and resid 25 and name HG2# )
6.30 4.50 0.00 peak 152 volume 4.197 ppm1 6.130 ppm2 0.644
assign ( segid "AAAA" and resid 25 and name HA )
( segid "AAAA" and resid 25 and name HD1# )
6.30 4.50 0.00 peak 153 volume 2.837 ppm1 6.127 ppm2 -0.135
assign ( segid "AAAA" and resid 32 and name HB* )
( segid "AAAA" and resid 33 and name HN )
5.50 3.70 0.00 peak 154 volume 3.819 ppm1 1.831 ppm2 8.327
assign ( segid "AAAA" and resid 32 and name HB* )
( segid "AAAA" and resid 32 and name HN )
4.00 2.20 0.00 peak 155 volume 8.235 ppm1 1.828 ppm2 7.553
assign ( segid "AAAA" and resid 25 and name HB )
( segid "AAAA" and resid 6 and name HE% )
5.50 3.70 0.00 peak 156 volume 4.620 ppm1 1.826 ppm2 7.047
OR { 156 }
( segid "AAAA" and resid 25 and name HB )
( segid "AAAA" and resid 6 and name HE% )
OR { 156 }
( segid "AAAA" and resid 25 and name HB )
( segid "AAAA" and resid 6 and name HZ )
assign ( segid "AAAA" and resid 25 and name HB )
( segid "AAAA" and resid 25 and name HA )
6.00 4.20 0.00 peak 157 volume 3.655 ppm1 1.820 ppm2 6.141
assign ( segid "AAAA" and resid 32 and name HB* )
( segid "AAAA" and resid 32 and name HD1# )
6.30 4.50 0.00 peak 158 volume 6.502 ppm1 1.840 ppm2 0.995
OR { 158 }
( segid "AAAA" and resid 32 and name HB* )
( segid "AAAA" and resid 32 and name HD1# )
OR { 158 }
( segid "AAAA" and resid 32 and name HB* )
( segid "AAAA" and resid 32 and name HD1# )
assign ( segid "AAAA" and resid 25 and name HB )
( segid "AAAA" and resid 25 and name HG2# )
6.30 4.50 0.00 peak 159 volume 4.652 ppm1 1.833 ppm2 0.630
assign ( segid "AAAA" and resid 25 and name HB )
( segid "AAAA" and resid 25 and name HD1# )
6.30 4.50 0.00 peak 160 volume 4.332 ppm1 1.830 ppm2 -0.125
assign ( segid "AAAA" and resid 25 and name HG2# )
( segid "AAAA" and resid 18 and name HN )
3.80 2.00 0.00 peak 161 volume 13.289 ppm1 0.632 ppm2 9.399
OR { 161 }
( segid "AAAA" and resid 25 and name HG2# )
( segid "AAAA" and resid 18 and name HN )
OR { 161 }
( segid "AAAA" and resid 25 and name HG2# )
( segid "AAAA" and resid 25 and name HN )
assign ( segid "AAAA" and resid 25 and name HG2# )
( segid "AAAA" and resid 17 and name HA )
5.80 4.00 0.00 peak 162 volume 1.639 ppm1 0.638 ppm2 4.854
assign ( segid "AAAA" and resid 25 and name HD1# )
( segid "AAAA" and resid 25 and name HN )
6.30 4.50 0.00 peak 163 volume 1.647 ppm1 -0.120 ppm2 9.373
assign ( segid "AAAA" and resid 25 and name HD1# )
( segid "AAAA" and resid 26 and name HN )
5.80 4.00 0.00 peak 164 volume 1.734 ppm1 -0.123 ppm2 9.032
assign ( segid "AAAA" and resid 25 and name HD1# )
( segid "AAAA" and resid 30 and name HN )
5.80 4.00 0.00 peak 165 volume 2.122 ppm1 -0.125 ppm2 8.517
assign ( segid "AAAA" and resid 25 and name HD1# )
( segid "AAAA" and resid 31 and name HN )
5.80 4.00 0.00 peak 166 volume 2.364 ppm1 -0.128 ppm2 7.442
assign ( segid "AAAA" and resid 25 and name HD1# )
( segid "AAAA" and resid 25 and name HA )
6.30 4.50 0.00 peak 167 volume 3.045 ppm1 -0.126 ppm2 6.138
assign ( segid "AAAA" and resid 25 and name HD1# )
( segid "AAAA" and resid 29 and name HA )
5.80 4.00 0.00 peak 168 volume 2.938 ppm1 -0.124 ppm2 4.011
assign ( segid "AAAA" and resid 25 and name HD1# )
( segid "AAAA" and resid 25 and name HB )
4.30 2.50 0.00 peak 169 volume 10.321 ppm1 -0.127 ppm2 1.839
assign ( segid "AAAA" and resid 25 and name HD1# )
( segid "AAAA" and resid 25 and name HG11 )
4.30 2.50 0.00 peak 170 volume 10.325 ppm1 -0.127 ppm2 1.519
OR { 170 }
( segid "AAAA" and resid 25 and name HD1# )
( segid "AAAA" and resid 25 and name HG11 )
OR { 170 }
( segid "AAAA" and resid 25 and name HD1# )
( segid "AAAA" and resid 25 and name HG12 )
assign ( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 18 and name HN )
5.50 3.70 0.00 peak 171 volume 3.356 ppm1 5.983 ppm2 9.427
assign ( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 26 and name HN )
4.00 2.20 0.00 peak 172 volume 11.526 ppm1 5.984 ppm2 9.006
OR { 172 }
( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 26 and name HN )
OR { 172 }
( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 27 and name HN )
assign ( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 30 and name HN )
5.50 3.70 0.00 peak 173 volume 1.654 ppm1 5.984 ppm2 8.512
OR { 173 }
( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 30 and name HN )
OR { 173 }
( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 17 and name HN )
OR { 173 }
( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 16 and name HN )
assign ( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 17 and name HA )
3.50 1.70 0.00 peak 174 volume 10.447 ppm1 5.986 ppm2 4.824
assign ( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 26 and name HB* )
6.00 4.20 0.00 peak 175 volume 7.785 ppm1 5.985 ppm2 3.480
assign ( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 26 and name HB* )
4.00 2.20 0.00 peak 176 volume 8.585 ppm1 5.985 ppm2 2.797
assign ( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 16 and name HB* )
5.50 3.70 0.00 peak 177 volume 2.068 ppm1 5.988 ppm2 1.602
OR { 177 }
( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 16 and name HB* )
OR { 177 }
( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 9 and name HG1 )
OR { 177 }
( segid "AAAA" and resid 26 and name HA )
( segid "AAAA" and resid 17 and name HB* )
assign ( segid "AAAA" and resid 26 and name HB* )
( segid "AAAA" and resid 26 and name HN )
6.00 4.20 0.00 peak 178 volume 4.667 ppm1 3.471 ppm2 9.021
OR { 178 }
( segid "AAAA" and resid 26 and name HB* )
( segid "AAAA" and resid 26 and name HN )
OR { 178 }
( segid "AAAA" and resid 26 and name HB* )
( segid "AAAA" and resid 27 and name HN )
assign ( segid "AAAA" and resid 26 and name HB* )
( segid "AAAA" and resid 26 and name HN )
6.00 4.20 0.00 peak 179 volume 4.487 ppm1 2.822 ppm2 9.018
assign ( segid "AAAA" and resid 26 and name HB* )
( segid "AAAA" and resid 26 and name HA )
6.00 4.20 0.00 peak 180 volume 3.183 ppm1 3.471 ppm2 5.971
assign ( segid "AAAA" and resid 26 and name HB* )
( segid "AAAA" and resid 26 and name HA )
6.00 4.20 0.00 peak 181 volume 3.442 ppm1 2.816 ppm2 6.001
assign ( segid "AAAA" and resid 27 and name HA )
( segid "AAAA" and resid 28 and name HN )
5.50 3.70 0.00 peak 184 volume 3.910 ppm1 4.643 ppm2 8.192
assign ( segid "AAAA" and resid 27 and name HB* )
( segid "AAAA" and resid 27 and name HN )
6.00 4.20 0.00 peak 185 volume 2.666 ppm1 2.689 ppm2 9.017
assign ( segid "AAAA" and resid 27 and name HB* )
( segid "AAAA" and resid 27 and name HN )
6.00 4.20 0.00 peak 186 volume 2.846 ppm1 2.418 ppm2 9.046
assign ( segid "AAAA" and resid 35 and name HB* )
( segid "AAAA" and resid 35 and name HN )
6.00 4.20 0.00 peak 187 volume 7.396 ppm1 2.698 ppm2 7.812
assign ( segid "AAAA" and resid 27 and name HB* )
( segid "AAAA" and resid 16 and name HB* )
5.50 3.70 0.00 peak 188 volume 4.416 ppm1 2.693 ppm2 1.618
OR { 188 }
( segid "AAAA" and resid 27 and name HB* )
( segid "AAAA" and resid 16 and name HB* )
OR { 188 }
( segid "AAAA" and resid 27 and name HB* )
( segid "AAAA" and resid 16 and name HB* )
assign ( segid "AAAA" and resid 27 and name HB* )
( segid "AAAA" and resid 16 and name HB* )
5.50 3.70 0.00 peak 189 volume 3.705 ppm1 2.428 ppm2 1.629
OR { 189 }
( segid "AAAA" and resid 27 and name HB* )
( segid "AAAA" and resid 16 and name HB* )
OR { 189 }
( segid "AAAA" and resid 27 and name HB* )
( segid "AAAA" and resid 16 and name HB* )
assign ( segid "AAAA" and resid 27 and name HB* )
( segid "AAAA" and resid 30 and name HG1# )
5.80 4.00 0.00 peak 190 volume 3.123 ppm1 2.428 ppm2 0.789
OR { 190 }
( segid "AAAA" and resid 27 and name HB* )
( segid "AAAA" and resid 30 and name HG1# )
OR { 190 }
( segid "AAAA" and resid 3 and name HB2 )
( segid "AAAA" and resid 1 and name HD1# )
assign ( segid "AAAA" and resid 29 and name HA )
( segid "AAAA" and resid 29 and name HN )
6.00 4.20 0.00 peak 191 volume 4.661 ppm1 4.025 ppm2 9.190
assign ( segid "AAAA" and resid 29 and name HA )
( segid "AAAA" and resid 32 and name HN )
5.50 3.70 0.00 peak 192 volume 5.324 ppm1 4.023 ppm2 7.548
assign ( segid "AAAA" and resid 29 and name HA )
( segid "AAAA" and resid 29 and name HB* )
6.00 4.20 0.00 peak 193 volume 5.056 ppm1 4.021 ppm2 3.062
assign ( segid "AAAA" and resid 29 and name HA )
( segid "AAAA" and resid 29 and name HB* )
6.00 4.20 0.00 peak 194 volume 7.954 ppm1 4.022 ppm2 2.537
assign ( segid "AAAA" and resid 29 and name HA )
( segid "AAAA" and resid 32 and name HD1# )
5.80 4.00 0.00 peak 195 volume 4.769 ppm1 4.019 ppm2 0.991
assign ( segid "AAAA" and resid 29 and name HB* )
( segid "AAAA" and resid 29 and name HN )
6.00 4.20 0.00 peak 196 volume 3.089 ppm1 3.035 ppm2 9.177
assign ( segid "AAAA" and resid 29 and name HB* )
( segid "AAAA" and resid 29 and name HN )
6.00 4.20 0.00 peak 197 volume 3.204 ppm1 2.523 ppm2 9.165
assign ( segid "AAAA" and resid 29 and name HB* )
( segid "AAAA" and resid 29 and name HN )
6.00 4.20 0.00 peak 198 volume 3.204 ppm1 2.523 ppm2 9.165
assign ( segid "AAAA" and resid 29 and name HB* )
( segid "AAAA" and resid 29 and name HA )
6.00 4.20 0.00 peak 199 volume 3.008 ppm1 3.025 ppm2 4.025
assign ( segid "AAAA" and resid 29 and name HB* )
( segid "AAAA" and resid 29 and name HA )
6.00 4.20 0.00 peak 200 volume 5.230 ppm1 2.531 ppm2 4.020
assign ( segid "AAAA" and resid 29 and name HB* )
( segid "AAAA" and resid 25 and name HD1# )
5.80 4.00 0.00 peak 201 volume 1.875 ppm1 3.034 ppm2 -0.087
assign ( segid "AAAA" and resid 29 and name HB* )
( segid "AAAA" and resid 25 and name HD1# )
5.80 4.00 0.00 peak 202 volume 3.166 ppm1 2.526 ppm2 -0.146
assign ( segid "AAAA" and resid 30 and name HA )
( segid "AAAA" and resid 34 and name HN )
5.50 3.70 0.00 peak 203 volume 5.997 ppm1 3.191 ppm2 8.521
OR { 203 }
( segid "AAAA" and resid 30 and name HA )
( segid "AAAA" and resid 34 and name HN )
OR { 203 }
( segid "AAAA" and resid 30 and name HA )
( segid "AAAA" and resid 30 and name HN )
assign ( segid "AAAA" and resid 30 and name HA )
( segid "AAAA" and resid 31 and name HN )
5.50 3.70 0.00 peak 204 volume 2.582 ppm1 3.197 ppm2 7.478
assign ( segid "AAAA" and resid 30 and name HA )
( segid "AAAA" and resid 30 and name HB )
6.00 4.20 0.00 peak 205 volume 4.202 ppm1 3.194 ppm2 1.968
assign ( segid "AAAA" and resid 30 and name HA )
( segid "AAAA" and resid 25 and name HD1# )
5.80 4.00 0.00 peak 206 volume 3.616 ppm1 3.195 ppm2 -0.107
assign ( segid "AAAA" and resid 30 and name HB )
( segid "AAAA" and resid 30 and name HN )
6.00 4.20 0.00 peak 207 volume 6.324 ppm1 1.950 ppm2 8.540
assign ( segid "AAAA" and resid 30 and name HB )
( segid "AAAA" and resid 31 and name HN )
5.50 3.70 0.00 peak 208 volume 4.789 ppm1 1.957 ppm2 7.487
assign ( segid "AAAA" and resid 30 and name HG2# )
( segid "AAAA" and resid 30 and name HN )
6.30 4.50 0.00 peak 209 volume 6.604 ppm1 0.725 ppm2 8.515
assign ( segid "AAAA" and resid 31 and name HA )
( segid "AAAA" and resid 34 and name HN )
5.50 3.70 0.00 peak 210 volume 3.820 ppm1 4.471 ppm2 8.498
assign ( segid "AAAA" and resid 31 and name HA )
( segid "AAAA" and resid 35 and name HN )
5.50 3.70 0.00 peak 211 volume 6.466 ppm1 4.469 ppm2 7.824
assign ( segid "AAAA" and resid 31 and name HB* )
( segid "AAAA" and resid 31 and name HN )
4.00 2.20 0.00 peak 212 volume 11.030 ppm1 2.866 ppm2 7.493
assign ( segid "AAAA" and resid 31 and name HB* )
( segid "AAAA" and resid 31 and name HN )
4.00 2.20 0.00 peak 213 volume 11.560 ppm1 2.750 ppm2 7.495
assign ( segid "AAAA" and resid 31 and name HB* )
( segid "AAAA" and resid 31 and name HA )
6.00 4.20 0.00 peak 214 volume 6.864 ppm1 2.867 ppm2 4.460
assign ( segid "AAAA" and resid 31 and name HB* )
( segid "AAAA" and resid 31 and name HA )
4.00 2.20 0.00 peak 215 volume 9.425 ppm1 2.747 ppm2 4.464
assign ( segid "AAAA" and resid 33 and name HA )
( segid "AAAA" and resid 33 and name HN )
6.00 4.20 0.00 peak 216 volume 5.948 ppm1 3.917 ppm2 8.323
assign ( segid "AAAA" and resid 33 and name HA )
( segid "AAAA" and resid 36 and name HN )
5.50 3.70 0.00 peak 217 volume 3.327 ppm1 3.923 ppm2 7.910
assign ( segid "AAAA" and resid 33 and name HA )
( segid "AAAA" and resid 36 and name HB )
3.50 1.70 0.00 peak 218 volume 9.545 ppm1 3.929 ppm2 1.941
assign ( segid "AAAA" and resid 33 and name HB* )
( segid "AAAA" and resid 33 and name HN )
6.00 4.20 0.00 peak 219 volume 2.689 ppm1 3.235 ppm2 8.350
assign ( segid "AAAA" and resid 34 and name HA )
( segid "AAAA" and resid 34 and name HB* )
6.00 4.20 0.00 peak 220 volume 7.816 ppm1 4.299 ppm2 3.006
assign ( segid "AAAA" and resid 34 and name HB* )
( segid "AAAA" and resid 34 and name HN )
6.00 4.20 0.00 peak 221 volume 4.449 ppm1 3.021 ppm2 8.479
assign ( segid "AAAA" and resid 34 and name HB* )
( segid "AAAA" and resid 34 and name HN )
6.00 4.20 0.00 peak 222 volume 4.259 ppm1 2.655 ppm2 8.484
assign ( segid "AAAA" and resid 34 and name HB* )
( segid "AAAA" and resid 35 and name HN )
5.50 3.70 0.00 peak 223 volume 4.015 ppm1 3.018 ppm2 7.781
assign ( segid "AAAA" and resid 34 and name HB* )
( segid "AAAA" and resid 35 and name HN )
5.50 3.70 0.00 peak 224 volume 4.629 ppm1 2.652 ppm2 7.796
assign ( segid "AAAA" and resid 34 and name HB* )
( segid "AAAA" and resid 34 and name HD2% )
6.00 4.20 0.00 peak 225 volume 4.026 ppm1 2.648 ppm2 7.522
assign ( segid "AAAA" and resid 34 and name HB* )
( segid "AAAA" and resid 35 and name HA )
5.50 3.70 0.00 peak 226 volume 5.808 ppm1 3.017 ppm2 4.381
assign ( segid "AAAA" and resid 34 and name HB* )
( segid "AAAA" and resid 34 and name HA )
4.00 2.20 0.00 peak 227 volume 8.399 ppm1 2.649 ppm2 4.335
assign ( segid "AAAA" and resid 35 and name HB* )
( segid "AAAA" and resid 35 and name HN )
6.00 4.20 0.00 peak 228 volume 7.008 ppm1 2.954 ppm2 7.814
assign ( segid "AAAA" and resid 35 and name HB* )
( segid "AAAA" and resid 35 and name HN )
4.00 2.20 0.00 peak 229 volume 9.540 ppm1 2.698 ppm2 7.808
assign ( segid "AAAA" and resid 35 and name HA )
( segid "AAAA" and resid 35 and name HN )
4.00 2.20 0.00 peak 230 volume 10.694 ppm1 4.394 ppm2 7.802
assign ( segid "AAAA" and resid 35 and name HA )
( segid "AAAA" and resid 35 and name HB* )
4.00 2.20 0.00 peak 231 volume 14.817 ppm1 4.393 ppm2 2.718
assign ( segid "AAAA" and resid 36 and name HA )
( segid "AAAA" and resid 37 and name HN )
5.50 3.70 0.00 peak 232 volume 2.346 ppm1 3.768 ppm2 8.301
assign ( segid "AAAA" and resid 36 and name HA )
( segid "AAAA" and resid 36 and name HN )
4.00 2.20 0.00 peak 233 volume 9.039 ppm1 3.757 ppm2 7.869
assign ( segid "AAAA" and resid 36 and name HB )
( segid "AAAA" and resid 37 and name HN )
5.50 3.70 0.00 peak 234 volume 7.308 ppm1 1.963 ppm2 8.237
assign ( segid "AAAA" and resid 36 and name HB )
( segid "AAAA" and resid 36 and name HN )
4.00 2.20 0.00 peak 235 volume 9.314 ppm1 1.956 ppm2 7.914
assign ( segid "AAAA" and resid 36 and name HB )
( segid "AAAA" and resid 36 and name HD1# )
3.70 1.90 0.00 peak 236 volume 31.983 ppm1 1.962 ppm2 0.881
OR { 236 }
( segid "AAAA" and resid 36 and name HB )
( segid "AAAA" and resid 36 and name HD1# )
OR { 236 }
( segid "AAAA" and resid 36 and name HB )
( segid "AAAA" and resid 36 and name HG2# )
assign ( segid "AAAA" and resid 37 and name HA )
( segid "AAAA" and resid 38 and name HN )
5.50 3.70 0.00 peak 238 volume 2.681 ppm1 4.164 ppm2 7.977
assign ( segid "AAAA" and resid 38 and name HA )
( segid "AAAA" and resid 38 and name HN )
4.00 2.20 0.00 peak 239 volume 9.213 ppm1 4.089 ppm2 8.051
assign ( segid "AAAA" and resid 38 and name HA )
( segid "AAAA" and resid 38 and name HN )
4.00 2.20 0.00 peak 240 volume 9.213 ppm1 4.089 ppm2 8.051
assign ( segid "AAAA" and resid 36 and name HD1# )
( segid "AAAA" and resid 36 and name HN )
6.30 4.50 0.00 peak 241 volume 5.044 ppm1 0.895 ppm2 7.879
assign ( segid "AAAA" and resid 37 and name HD1# )
( segid "AAAA" and resid 37 and name HN )
6.30 4.50 0.00 peak 242 volume 5.178 ppm1 0.791 ppm2 8.308
assign ( segid "AAAA" and resid 38 and name HA )
( segid "AAAA" and resid 38 and name HN )
4.00 2.20 0.00 peak 243 volume 9.213 ppm1 4.089 ppm2 8.051
assign ( segid "AAAA" and resid 28 and name HA )
( segid "AAAA" and resid 32 and name HN )
3.50 1.70 0.00 peak 244 volume 10.310 ppm1 4.191 ppm2 7.557
assign ( segid "AAAA" and resid 2 and name HD2# )
( segid "AAAA" and resid 2 and name HN )
6.30 4.50 0.00 peak 245 volume 4.781 ppm1 0.547 ppm2 7.819
assign ( segid "AAAA" and resid 2 and name HD2# )
( segid "AAAA" and resid 11 and name HE2% )
5.80 4.00 0.00 peak 246 volume 6.347 ppm1 0.549 ppm2 6.765
assign ( segid "AAAA" and resid 2 and name HD2# )
( segid "AAAA" and resid 11 and name HG* )
5.80 4.00 0.00 peak 247 volume 4.409 ppm1 0.543 ppm2 1.747
OR { 247 }
( segid "AAAA" and resid 2 and name HD2# )
( segid "AAAA" and resid 11 and name HG* )
OR { 247 }
( segid "AAAA" and resid 2 and name HD2# )
( segid "AAAA" and resid 11 and name HB* )
assign ( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 26 and name HN )
5.80 4.00 0.00 peak 248 volume 4.126 ppm1 0.526 ppm2 9.053
OR { 248 }
( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 26 and name HN )
OR { 248 }
( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 26 and name HN )
OR { 248 }
( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 27 and name HN )
assign ( segid "AAAA" and resid 23 and name HG1# )
( segid "AAAA" and resid 6 and name HZ )
5.80 4.00 0.00 peak 249 volume 3.943 ppm1 0.254 ppm2 7.046
OR { 249 }
( segid "AAAA" and resid 23 and name HG1# )
( segid "AAAA" and resid 6 and name HZ )
OR { 249 }
( segid "AAAA" and resid 23 and name HG1# )
( segid "AAAA" and resid 6 and name HE% )
assign ( segid "AAAA" and resid 23 and name HG1# )
( segid "AAAA" and resid 23 and name HB )
4.30 2.50 0.00 peak 250 volume 17.765 ppm1 0.251 ppm2 1.722
assign ( segid "AAAA" and resid 24 and name HA )
( segid "AAAA" and resid 24 and name HD% )
6.00 4.20 0.00 peak 251 volume 5.405 ppm1 5.678 ppm2 7.000
assign ( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 18 and name HN )
5.80 4.00 0.00 peak 252 volume 3.398 ppm1 0.527 ppm2 9.416
OR { 252 }
( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 18 and name HN )
OR { 252 }
( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 25 and name HN )
assign ( segid "AAAA" and resid 24 and name HB* )
( segid "AAAA" and resid 4 and name HA )
5.50 3.70 0.00 peak 253 volume 3.465 ppm1 2.785 ppm2 4.006
assign ( segid "AAAA" and resid 24 and name HB* )
( segid "AAAA" and resid 17 and name HD2# )
5.80 4.00 0.00 peak 254 volume 3.708 ppm1 2.778 ppm2 0.515
assign ( segid "AAAA" and resid 24 and name HB* )
( segid "AAAA" and resid 17 and name HD2# )
5.80 4.00 0.00 peak 255 volume 2.562 ppm1 3.258 ppm2 0.537
assign ( segid "AAAA" and resid 1 and name HA )
( segid "AAAA" and resid 11 and name HE2% )
5.50 3.70 0.00 peak 256 volume 2.620 ppm1 4.227 ppm2 6.787
assign ( segid "AAAA" and resid 1 and name HD2# )
( segid "AAAA" and resid 11 and name HE2% )
5.80 4.00 0.00 peak 257 volume 4.864 ppm1 0.796 ppm2 7.492
assign ( segid "AAAA" and resid 1 and name HD2# )
( segid "AAAA" and resid 2 and name HN )
5.80 4.00 0.00 peak 258 volume 5.031 ppm1 0.798 ppm2 7.822
assign ( segid "AAAA" and resid 4 and name HA )
( segid "AAAA" and resid 17 and name HD2# )
5.80 4.00 0.00 peak 259 volume 7.924 ppm1 4.012 ppm2 0.515
assign ( segid "AAAA" and resid 14 and name HG1# )
( segid "AAAA" and resid 26 and name HB* )
3.80 2.00 0.00 peak 260 volume 16.397 ppm1 0.958 ppm2 3.509
assign ( segid "AAAA" and resid 14 and name HG1# )
( segid "AAAA" and resid 14 and name HB )
3.70 1.90 0.00 peak 261 volume 27.177 ppm1 0.961 ppm2 2.773
assign ( segid "AAAA" and resid 14 and name HG1# )
( segid "AAAA" and resid 26 and name HA )
5.80 4.00 0.00 peak 262 volume 3.302 ppm1 0.963 ppm2 5.949
assign ( segid "AAAA" and resid 14 and name HG2# )
( segid "AAAA" and resid 16 and name HN )
5.80 4.00 0.00 peak 264 volume 6.565 ppm1 0.685 ppm2 8.535
assign ( segid "AAAA" and resid 14 and name HG2# )
( segid "AAAA" and resid 14 and name HN )
4.30 2.50 0.00 peak 265 volume 17.086 ppm1 0.684 ppm2 6.989
assign ( segid "AAAA" and resid 14 and name HG2# )
( segid "AAAA" and resid 26 and name HA )
5.80 4.00 0.00 peak 266 volume 3.975 ppm1 0.686 ppm2 6.008
assign ( segid "AAAA" and resid 14 and name HG2# )
( segid "AAAA" and resid 14 and name HA )
4.30 2.50 0.00 peak 267 volume 8.367 ppm1 0.684 ppm2 4.868
assign ( segid "AAAA" and resid 14 and name HG2# )
( segid "AAAA" and resid 11 and name HA )
3.80 2.00 0.00 peak 268 volume 15.581 ppm1 0.685 ppm2 3.753
assign ( segid "AAAA" and resid 14 and name HG2# )
( segid "AAAA" and resid 26 and name HB* )
3.80 2.00 0.00 peak 269 volume 9.938 ppm1 0.685 ppm2 3.474
assign ( segid "AAAA" and resid 14 and name HG2# )
( segid "AAAA" and resid 14 and name HB )
3.70 1.90 0.00 peak 270 volume 22.230 ppm1 0.685 ppm2 2.728
assign ( segid "AAAA" and resid 14 and name HG2# )
( segid "AAAA" and resid 9 and name HB2 )
3.80 2.00 0.00 peak 271 volume 8.662 ppm1 0.683 ppm2 1.704
assign ( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 17 and name HA )
4.30 2.50 0.00 peak 272 volume 8.492 ppm1 0.523 ppm2 4.826
OR { 272 }
( segid "AAAA" and resid 17 and name HD2# )
( segid "AAAA" and resid 17 and name HA )
OR { 272 }
( segid "AAAA" and resid 17 and name HD1# )
( segid "AAAA" and resid 17 and name HA )
assign ( segid "AAAA" and resid 9 and name HA )
( segid "AAAA" and resid 9 and name HN )
6.00 4.20 0.00 peak 273 volume 5.909 ppm1 4.326 ppm2 8.770
assign ( segid "AAAA" and resid 23 and name HA )
( segid "AAAA" and resid 23 and name HB )
4.00 2.20 0.00 peak 274 volume 15.945 ppm1 4.321 ppm2 1.753
assign ( segid "AAAA" and resid 14 and name HG2# )
( segid "AAAA" and resid 14 and name HG1# )
3.70 1.90 0.00 peak 276 volume 26.816 ppm1 0.683 ppm2 1.017
assign ( segid "AAAA" and resid 13 and name HB* )
( segid "AAAA" and resid 13 and name HA )
6.00 4.20 0.00 peak 277 volume 6.616 ppm1 2.270 ppm2 4.440
assign ( segid "AAAA" and resid 13 and name HB* )
( segid "AAAA" and resid 13 and name HN )
6.00 4.20 0.00 peak 278 volume 4.417 ppm1 2.275 ppm2 7.859
assign ( segid "AAAA" and resid 2 and name HD1# )
( segid "AAAA" and resid 11 and name HE2% )
5.80 4.00 0.00 peak 279 volume 4.789 ppm1 0.626 ppm2 6.741
assign ( segid "AAAA" and resid 2 and name HD2# )
( segid "AAAA" and resid 3 and name HN )
5.80 4.00 0.00 peak 280 volume 5.509 ppm1 0.543 ppm2 7.600
! spectrum: inter-run90.xpk
! using intensity strong threshold of 3.00
! using intensity medium threshold of 1.50
!
! using strong restraint of 2.90
! using medium restraint of 3.50
! using weak restraint of 5.50
assign ( segid "AAAA" and resid 25 and name HD1# )
( segid "BBBB" and resid 6 and name HE% )
5.80 4.00 0.00 peak 0 volume 0.975 ppm1 -0.113 ppm2 7.073
assign ( segid "AAAA" and resid 25 and name HD1# )
( segid "BBBB" and resid 25 and name HG2# )
4.30 2.50 0.00 peak 1 volume 2.297 ppm1 -0.107 ppm2 0.693
assign ( segid "AAAA" and resid 25 and name HG2# )
( segid "BBBB" and resid 6 and name HE% )
3.80 2.00 0.00 peak 2 volume 2.289 ppm1 0.651 ppm2 7.074
assign ( segid "AAAA" and resid 25 and name HG2# )
( segid "BBBB" and resid 18 and name HD1# )
5.80 4.00 0.00 peak 3 volume 1.409 ppm1 0.651 ppm2 0.825
assign ( segid "AAAA" and resid 23 and name HG2# )
( segid "BBBB" and resid 23 and name HG1# )
4.30 2.50 0.00 peak 4 volume 1.625 ppm1 0.096 ppm2 0.231
assign ( segid "AAAA" and resid 23 and name HG2# )
( segid "BBBB" and resid 23 and name HB )
6.30 4.50 0.00 peak 5 volume 1.010 ppm1 0.097 ppm2 1.731
assign ( segid "AAAA" and resid 23 and name HG2# )
( segid "BBBB" and resid 6 and name HE% )
3.80 2.00 0.00 peak 6 volume 1.928 ppm1 0.097 ppm2 7.117
assign ( segid "AAAA" and resid 23 and name HG2# )
( segid "BBBB" and resid 6 and name HD% )
5.80 4.00 0.00 peak 7 volume 0.825 ppm1 0.099 ppm2 7.422
assign ( segid "AAAA" and resid 5 and name HB2 )
( segid "BBBB" and resid 23 and name HG1# )
5.80 4.00 0.00 peak 8 volume 0.945 ppm1 4.099 ppm2 0.228
OR { 8 }
( segid "AAAA" and resid 5 and name HB2 )
( segid "BBBB" and resid 23 and name HG1# )
OR { 8 }
( segid "AAAA" and resid 5 and name HB1 )
( segid "BBBB" and resid 23 and name HG1# )
assign ( segid "AAAA" and resid 5 and name HB2 )
( segid "BBBB" and resid 23 and name HG2# )
5.80 4.00 0.00 peak 9 volume 0.854 ppm1 4.046 ppm2 0.115
OR { 9 }
( segid "AAAA" and resid 5 and name HB2 )
( segid "BBBB" and resid 23 and name HG2# )
OR { 9 }
( segid "AAAA" and resid 5 and name HB1 )
( segid "BBBB" and resid 23 and name HG2# )
assign ( segid "AAAA" and resid 23 and name HB )
( segid "BBBB" and resid 23 and name HG2# )
6.30 4.50 0.00 peak 10 volume 0.969 ppm1 1.737 ppm2 0.150
assign ( segid "AAAA" and resid 23 and name HG1# )
( segid "BBBB" and resid 23 and name HG2# )
4.30 2.50 0.00 peak 11 volume 2.344 ppm1 0.272 ppm2 0.114
assign ( segid "AAAA" and resid 23 and name HG1# )
( segid "BBBB" and resid 6 and name HE% )
5.80 4.00 0.00 peak 12 volume 0.865 ppm1 0.275 ppm2 7.069
assign ( segid "AAAA" and resid 30 and name HG1# )
( segid "BBBB" and resid 33 and name HB* )
5.80 4.00 0.00 peak 14 volume 1.160 ppm1 0.817 ppm2 3.258
OR { 14 }
( segid "AAAA" and resid 30 and name HG1# )
( segid "BBBB" and resid 33 and name HB* )
OR { 14 }
( segid "AAAA" and resid 30 and name HG1# )
( segid "BBBB" and resid 30 and name HA )
assign ( segid "AAAA" and resid 30 and name HG2# )
( segid "BBBB" and resid 33 and name HB* )
5.80 4.00 0.00 peak 15 volume 1.108 ppm1 0.743 ppm2 2.291
assign ( segid "AAAA" and resid 30 and name HG2# )
( segid "BBBB" and resid 33 and name HB* )
3.80 2.00 0.00 peak 16 volume 1.900 ppm1 0.742 ppm2 3.246
OR { 16 }
( segid "AAAA" and resid 30 and name HG2# )
( segid "BBBB" and resid 33 and name HB* )
OR { 16 }
( segid "AAAA" and resid 30 and name HG2# )
( segid "BBBB" and resid 30 and name HA )
assign ( segid "AAAA" and resid 30 and name HG2# )
( segid "BBBB" and resid 34 and name HA )
5.80 4.00 0.00 peak 17 volume 1.054 ppm1 0.743 ppm2 4.314
assign ( segid "AAAA" and resid 33 and name HB* )
( segid "BBBB" and resid 18 and name HD1# )
3.80 2.00 0.00 peak 18 volume 2.193 ppm1 3.275 ppm2 0.785
OR { 18 }
( segid "AAAA" and resid 33 and name HB* )
( segid "BBBB" and resid 18 and name HD1# )
OR { 18 }
( segid "AAAA" and resid 33 and name HB* )
( segid "BBBB" and resid 30 and name HG1# )
assign ( segid "AAAA" and resid 33 and name HB* )
( segid "BBBB" and resid 30 and name HG1# )
3.80 2.00 0.00 peak 19 volume 1.912 ppm1 2.295 ppm2 0.798
OR { 19 }
( segid "AAAA" and resid 33 and name HB* )
( segid "BBBB" and resid 30 and name HG1# )
OR { 19 }
( segid "AAAA" and resid 33 and name HB* )
( segid "BBBB" and resid 18 and name HD1# )
assign ( segid "AAAA" and resid 25 and name HG2# )
( segid "BBBB" and resid 25 and name HD1# )
6.30 4.50 0.00 peak 20 volume 0.849 ppm1 0.654 ppm2 -0.104
assign ( segid "AAAA" and resid 24 and name HA )
( segid "BBBB" and resid 6 and name HE% )
5.50 3.70 0.00 peak 21 volume 0.847 ppm1 5.710 ppm2 7.098
assign ( segid "AAAA" and resid 23 and name HG1# )
( segid "BBBB" and resid 23 and name HB )
6.30 4.50 0.00 peak 22 volume 0.848 ppm1 0.272 ppm2 1.725
assign ( segid "AAAA" and resid 23 and name HG1# )
( segid "BBBB" and resid 6 and name HD% )
5.80 4.00 0.00 peak 23 volume 0.611 ppm1 0.273 ppm2 7.417
assign ( segid "AAAA" and resid 30 and name HB )
( segid "BBBB" and resid 30 and name HG1# )
6.30 4.50 0.00 peak 24 volume 1.276 ppm1 1.982 ppm2 0.805
OR { 24 }
( segid "AAAA" and resid 30 and name HB )
( segid "BBBB" and resid 30 and name HG1# )
OR { 24 }
( segid "AAAA" and resid 30 and name HB )
( segid "BBBB" and resid 18 and name HD1# )
assign ( segid "AAAA" and resid 30 and name HG1# )
( segid "BBBB" and resid 30 and name HB )
6.30 4.50 0.00 peak 25 volume 1.075 ppm1 0.813 ppm2 1.945
assign ( segid "AAAA" and resid 30 and name HG2# )
( segid "BBBB" and resid 30 and name HB )
6.30 4.50 0.00 peak 26 volume 0.984 ppm1 0.747 ppm2 1.986
assign ( segid "AAAA" and resid 5 and name HA )
( segid "BBBB" and resid 23 and name HG2# )
5.80 4.00 0.00 peak 27 volume 0.666 ppm1 4.434 ppm2 0.164
assign ( segid "AAAA" and resid 25 and name HD1# )
( segid "BBBB" and resid 25 and name HD1# )
6.30 4.50 0.00 peak 28 volume 1.244 ppm1 -0.108 ppm2 -0.120
assign ( segid "AAAA" and resid 18 and name HD1# )
( segid "BBBB" and resid 30 and name HB )
3.80 2.00 0.00 peak 29 volume 2.946 ppm1 0.817 ppm2 1.977
assign ( segid "AAAA" and resid 30 and name HA )
( segid "BBBB" and resid 30 and name HG1# )
6.30 4.50 0.00 peak 30 volume 0.839 ppm1 3.223 ppm2 0.763
OR { 30 }
( segid "AAAA" and resid 30 and name HA )
( segid "BBBB" and resid 30 and name HG1# )
OR { 30 }
( segid "AAAA" and resid 30 and name HA )
( segid "BBBB" and resid 18 and name HD1# )
assign ( segid "AAAA" and resid 25 and name HD1# )
( segid "BBBB" and resid 18 and name HG2# )
5.80 4.00 0.00 peak 31 volume 0.813 ppm1 -0.103 ppm2 1.002
assign ( segid "AAAA" and resid 30 and name HG2# )
( segid "BBBB" and resid 30 and name HG2# )
3.70 1.90 0.00 peak 32 volume 6.372 ppm1 0.743 ppm2 0.785
OR { 32 }
( segid "AAAA" and resid 30 and name HG2# )
( segid "BBBB" and resid 30 and name HG2# )
OR { 32 }
( segid "AAAA" and resid 30 and name HG2# )
( segid "BBBB" and resid 18 and name HD1# )
assign ( segid "AAAA" and resid 25 and name HB )
( segid "BBBB" and resid 6 and name HE% )
5.50 3.70 0.00 peak 33 volume 0.740 ppm1 1.844 ppm2 7.045
OR { 33 }
( segid "AAAA" and resid 25 and name HB )
( segid "BBBB" and resid 6 and name HE% )
OR { 33 }
( segid "AAAA" and resid 25 and name HB )
( segid "BBBB" and resid 6 and name HZ )
assign ( segid "AAAA" and resid 18 and name HD1# )
( segid "BBBB" and resid 33 and name HB* )
5.80 4.00 0.00 peak 34 volume 1.109 ppm1 0.820 ppm2 3.258
OR { 34 }
( segid "AAAA" and resid 18 and name HD1# )
( segid "BBBB" and resid 33 and name HB* )
OR { 34 }
( segid "AAAA" and resid 18 and name HD1# )
( segid "BBBB" and resid 30 and name HA )
assign ( segid "AAAA" and resid 30 and name HG1# )
( segid "BBBB" and resid 25 and name HD1# )
5.80 4.00 0.00 peak 35 volume 0.707 ppm1 0.814 ppm2 -0.105
assign ( segid "AAAA" and resid 37 and name HG2# )
( segid "BBBB" and resid 18 and name HA )
5.80 4.00 0.00 peak 36 volume 1.451 ppm1 0.913 ppm2 4.198
assign ( segid "AAAA" and resid 34 and name HA )
( segid "BBBB" and resid 30 and name HG2# )
3.80 2.00 0.00 peak 37 volume 1.599 ppm1 4.320 ppm2 0.780
OR { 37 }
( segid "AAAA" and resid 34 and name HA )
( segid "BBBB" and resid 30 and name HG2# )
OR { 37 }
( segid "AAAA" and resid 34 and name HA )
( segid "BBBB" and resid 30 and name HG1# )
assign ( segid "AAAA" and resid 23 and name HG1# )
( segid "BBBB" and resid 5 and name HB2 )
5.80 4.00 0.00 peak 38 volume 0.706 ppm1 0.279 ppm2 4.113
OR { 38 }
( segid "AAAA" and resid 23 and name HG1# )
( segid "BBBB" and resid 5 and name HB2 )
OR { 38 }
( segid "AAAA" and resid 23 and name HG1# )
( segid "BBBB" and resid 5 and name HB1 )
assign ( segid "AAAA" and resid 27 and name HB* )
( segid "BBBB" and resid 37 and name HD1# )
5.80 4.00 0.00 peak 39 volume 0.774 ppm1 2.464 ppm2 0.844
assign ( segid "AAAA" and resid 18 and name HA )
( segid "BBBB" and resid 37 and name HG2# )
5.80 4.00 0.00 peak 40 volume 1.164 ppm1 4.223 ppm2 0.894
assign ( segid "AAAA" and resid 6 and name HA )
( segid "BBBB" and resid 21 and name HB* )
5.50 3.70 0.00 peak 41 volume 0.863 ppm1 4.229 ppm2 2.066
OR { 41 }
( segid "AAAA" and resid 6 and name HA )
( segid "BBBB" and resid 21 and name HB* )
OR { 41 }
( segid "AAAA" and resid 6 and name HA )
( segid "BBBB" and resid 21 and name HB* )
assign ( segid "AAAA" and resid 23 and name HB )
( segid "BBBB" and resid 6 and name HA )
5.50 3.70 0.00 peak 42 volume 0.628 ppm1 1.734 ppm2 4.268
OR { 42 }
( segid "AAAA" and resid 23 and name HB )
( segid "BBBB" and resid 6 and name HA )
OR { 42 }
( segid "AAAA" and resid 23 and name HB )
( segid "BBBB" and resid 23 and name HA )
assign ( segid "AAAA" and resid 18 and name HB )
( segid "BBBB" and resid 37 and name HD1# )
5.80 4.00 0.00 peak 43 volume 0.949 ppm1 2.110 ppm2 0.849
OR { 43 }
( segid "AAAA" and resid 18 and name HB )
( segid "BBBB" and resid 37 and name HD1# )
OR { 43 }
( segid "AAAA" and resid 18 and name HB )
( segid "BBBB" and resid 37 and name HG2# )
assign ( segid "AAAA" and resid 37 and name HD1# )
( segid "BBBB" and resid 16 and name HG* )
5.80 4.00 0.00 peak 44 volume 0.733 ppm1 0.798 ppm2 1.314
OR { 44 }
( segid "AAAA" and resid 37 and name HD1# )
( segid "BBBB" and resid 16 and name HG* )
OR { 44 }
( segid "AAAA" and resid 37 and name HD1# )
( segid "BBBB" and resid 16 and name HG* )
assign ( segid "AAAA" and resid 16 and name HB* )
( segid "BBBB" and resid 37 and name HD1# )
5.80 4.00 0.00 peak 45 volume 0.973 ppm1 1.644 ppm2 0.862
OR { 45 }
( segid "AAAA" and resid 16 and name HB* )
( segid "BBBB" and resid 37 and name HD1# )
OR { 45 }
( segid "AAAA" and resid 16 and name HB* )
( segid "BBBB" and resid 37 and name HD1# )
assign ( segid "AAAA" and resid 18 and name HD1# )
( segid "BBBB" and resid 33 and name HB* )
5.80 4.00 0.00 peak 46 volume 1.100 ppm1 0.824 ppm2 2.288
assign ( segid "AAAA" and resid 27 and name HB* )
( segid "BBBB" and resid 37 and name HD1# )
5.80 4.00 0.00 peak 47 volume 1.390 ppm1 2.717 ppm2 0.825
Contact the webmaster for help, if required. Thursday, May 2, 2024 12:30:31 AM GMT (wattos1)