NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
16453 |
2a55   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!NOE RESTRAINTS
ASSI (
(( segid " " and resid 54 and name HZ2 ))
)(
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
OR
(( segid " " and resid 22 and name HE ))
OR
(( segid " " and resid 1 and name HD21))
)
6.000 6.000 0.000 peak 7392 weight 0.10000E+01 volume 0.17700E+00 ppm1 6.939 ppm2 7.215
ASSI (
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
OR
(( segid " " and resid 37 and name HE2 ))
OR
(( segid " " and resid 37 and name HE1 ))
)(
(( segid " " and resid 35 and name HG1 ))
OR
(( segid " " and resid 10 and name HB2 ))
)
5.000 5.000 0.000 peak 7386 weight 0.10000E+01 volume 0.41200E+00 ppm1 6.690 ppm2 2.152
ASSI (
(( segid " " and resid 16 and name HD13))
OR
(( segid " " and resid 16 and name HD12))
OR
(( segid " " and resid 16 and name HD11))
)(
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
OR
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)
5.000 5.000 0.000 peak 5519 weight 0.10000E+01 volume 0.50800E+00 ppm1 0.776 ppm2 0.052
ASSI (
(( segid " " and resid 16 and name HD13))
OR
(( segid " " and resid 16 and name HD12))
OR
(( segid " " and resid 16 and name HD11))
)(
(( segid " " and resid 29 and name HB1 ))
OR
(( segid " " and resid 14 and name HB2 ))
OR
(( segid " " and resid 13 and name HB2 ))
)
5.000 5.000 0.000 peak 5517 weight 0.10000E+01 volume 0.53700E+00 ppm1 0.777 ppm2 1.576
ASSI (
(( segid " " and resid 16 and name HD13))
OR
(( segid " " and resid 16 and name HD12))
OR
(( segid " " and resid 16 and name HD11))
)(
(( segid " " and resid 30 and name HB2 ))
OR
(( segid " " and resid 18 and name HB2 ))
OR
(( segid " " and resid 18 and name HB1 ))
OR
(( segid " " and resid 13 and name HB1 ))
)
5.000 5.000 0.000 peak 5518 weight 0.10000E+01 volume 0.88100E+00 ppm1 0.777 ppm2 1.670
ASSI (
(( segid " " and resid 70 and name HB2 ))
OR
(( segid " " and resid 70 and name HB1 ))
)(
(( segid " " and resid 70 and name HA ))
)
2.700 2.700 0.000 peak 8660 weight 0.10000E+01 volume 0.36280E+01 ppm1 1.754 ppm2 4.134
ASSI (
(( segid " " and resid 121 and name HG2 ))
OR
(( segid " " and resid 121 and name HG1 ))
OR
(( segid " " and resid 53 and name HG1 ))
)(
(( segid " " and resid 122 and name HB1 ))
OR
(( segid " " and resid 51 and name HB1 ))
)
5.000 5.000 0.000 peak 5618 weight 0.10000E+01 volume 0.63100E+00 ppm1 2.164 ppm2 2.805
ASSI (
(( segid " " and resid 53 and name HG2 ))
)(
(( segid " " and resid 53 and name HN ))
)
5.000 5.000 0.000 peak 6561 weight 0.10000E+01 volume 0.87100E+00 ppm1 2.094 ppm2 7.515
ASSI (
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HG1 ))
)(
(( segid " " and resid 103 and name HA ))
)
6.000 6.000 0.000 peak 5102 weight 0.10000E+01 volume 0.26700E+00 ppm1 2.143 ppm2 5.065
ASSI (
(( segid " " and resid 16 and name HB ))
)(
(( segid " " and resid 18 and name HA ))
)
6.000 6.000 0.000 peak 7815 weight 0.10000E+01 volume 0.13000E+00 ppm1 1.898 ppm2 4.393
ASSI (
(( segid " " and resid 122 and name HB1 ))
)(
(( segid " " and resid 72 and name HN ))
)
6.000 6.000 0.000 peak 6903 weight 0.10000E+01 volume 0.14200E+00 ppm1 2.749 ppm2 8.543
ASSI (
(( segid " " and resid 15 and name HB1 ))
)(
(( segid " " and resid 30 and name HB2 ))
)
5.000 5.000 0.000 peak 5248 weight 0.10000E+01 volume 0.50300E+00 ppm1 2.692 ppm2 1.622
ASSI (
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
OR
(( segid " " and resid 37 and name HE2 ))
OR
(( segid " " and resid 37 and name HE1 ))
)(
(( segid " " and resid 84 and name HB2 ))
OR
(( segid " " and resid 62 and name HB2 ))
OR
(( segid " " and resid 10 and name HB1 ))
)
5.000 5.000 0.000 peak 7473 weight 0.10000E+01 volume 0.91700E+00 ppm1 6.690 ppm2 2.522
ASSI (
(( segid " " and resid 96 and name HB2 ))
)(
(( segid " " and resid 123 and name HG2 ))
OR
(( segid " " and resid 121 and name HG2 ))
OR
(( segid " " and resid 73 and name HB1 ))
)
6.000 6.000 0.000 peak 5441 weight 0.10000E+01 volume 0.76000E-01 ppm1 2.499 ppm2 2.164
ASSI (
(( segid " " and resid 100 and name HA2 ))
)(
(( segid " " and resid 99 and name HA ))
)
5.000 5.000 0.000 peak 5087 weight 0.10000E+01 volume 0.67100E+00 ppm1 3.589 ppm2 4.232
ASSI (
(( segid " " and resid 64 and name HD2 ))
OR
(( segid " " and resid 64 and name HD1 ))
)(
(( segid " " and resid 83 and name HN ))
OR
(( segid " " and resid 82 and name HN ))
)
6.000 6.000 0.000 peak 9322 weight 0.10000E+01 volume 0.18200E+00 ppm1 3.097 ppm2 7.918
ASSI (
(( segid " " and resid 2 and name HB2 ))
)(
(( segid " " and resid 54 and name HD1 ))
OR
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
OR
(( segid " " and resid 22 and name HN ))
OR
(( segid " " and resid 1 and name HD21))
)
6.000 6.000 0.000 peak 7537 weight 0.10000E+01 volume 0.25200E+00 ppm1 2.231 ppm2 7.302
ASSI (
(( segid " " and resid 68 and name HD2 ))
)(
(( segid " " and resid 68 and name HG1 ))
)
5.000 5.000 0.000 peak 8637 weight 0.10000E+01 volume 0.37400E+00 ppm1 2.457 ppm2 1.545
ASSI (
(( segid " " and resid 68 and name HD1 ))
)(
(( segid " " and resid 68 and name HG1 ))
)
5.000 5.000 0.000 peak 8636 weight 0.10000E+01 volume 0.71300E+00 ppm1 3.204 ppm2 1.540
ASSI (
(( segid " " and resid 115 and name HD1 ))
OR
(( segid " " and resid 54 and name HD1 ))
)(
(( segid " " and resid 115 and name HB2 ))
OR
(( segid " " and resid 6 and name HD2 ))
)
5.000 5.000 0.000 peak 6661 weight 0.10000E+01 volume 0.57100E+00 ppm1 7.273 ppm2 2.774
ASSI (
(( segid " " and resid 118 and name HD2 ))
)(
(( segid " " and resid 118 and name HG1 ))
OR
(( segid " " and resid 118 and name HB2 ))
)
3.300 3.300 0.000 peak 9538 weight 0.10000E+01 volume 0.16290E+01 ppm1 3.763 ppm2 2.034
ASSI (
(( segid " " and resid 125 and name HA ))
)(
(( segid " " and resid 125 and name HN ))
)
3.300 3.300 0.000 peak 6627 weight 0.10000E+01 volume 0.15130E+01 ppm1 4.180 ppm2 7.813
ASSI (
(( segid " " and resid 18 and name HA ))
)(
(( segid " " and resid 19 and name HN ))
OR
(( segid " " and resid 18 and name HN ))
)
5.000 5.000 0.000 peak 7247 weight 0.10000E+01 volume 0.14180E+01 ppm1 4.411 ppm2 8.045
ASSI (
(( segid " " and resid 56 and name HA ))
OR
(( segid " " and resid 54 and name HA ))
)(
(( segid " " and resid 57 and name HN ))
OR
(( segid " " and resid 48 and name HN ))
)
3.300 3.300 0.000 peak 6610 weight 0.10000E+01 volume 0.20470E+01 ppm1 4.977 ppm2 8.540
ASSI (
(( segid " " and resid 56 and name HA ))
OR
(( segid " " and resid 37 and name HA ))
)(
(( segid " " and resid 63 and name HN ))
OR
(( segid " " and resid 56 and name HN ))
)
3.300 3.300 0.000 peak 6029 weight 0.10000E+01 volume 0.20990E+01 ppm1 4.985 ppm2 7.806
ASSI (
(( segid " " and resid 40 and name HA ))
OR
(( segid " " and resid 30 and name HA ))
)(
(( segid " " and resid 41 and name HB2 ))
OR
(( segid " " and resid 13 and name HA ))
)
6.000 6.000 0.000 peak 4911 weight 0.10000E+01 volume 0.16500E+00 ppm1 4.487 ppm2 3.089
ASSI (
(( segid " " and resid 40 and name HA ))
OR
(( segid " " and resid 30 and name HA ))
)(
(( segid " " and resid 60 and name HN ))
OR
(( segid " " and resid 45 and name HN ))
OR
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)
5.000 5.000 0.000 peak 8023 weight 0.10000E+01 volume 0.40300E+00 ppm1 4.495 ppm2 6.552
ASSI (
(( segid " " and resid 31 and name HA ))
)(
(( segid " " and resid 29 and name HB1 ))
OR
(( segid " " and resid 14 and name HB2 ))
OR
(( segid " " and resid 13 and name HB1 ))
)
5.000 5.000 0.000 peak 4917 weight 0.10000E+01 volume 0.40900E+00 ppm1 4.799 ppm2 1.582
ASSI (
(( segid " " and resid 31 and name HA ))
)(
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)
6.000 6.000 0.000 peak 4957 weight 0.10000E+01 volume 0.87000E-01 ppm1 4.801 ppm2 6.521
ASSI (
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
OR
(( segid " " and resid 47 and name HG23))
OR
(( segid " " and resid 47 and name HG22))
OR
(( segid " " and resid 47 and name HG21))
)(
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
OR
(( segid " " and resid 6 and name HG2 ))
)
3.300 3.300 0.000 peak 5615 weight 0.10000E+01 volume 0.15130E+01 ppm1 0.978 ppm2 1.526
ASSI (
(( segid " " and resid 86 and name HA ))
OR
(( segid " " and resid 42 and name HA ))
OR
(( segid " " and resid 38 and name HA ))
)(
(( segid " " and resid 87 and name HB2 ))
OR
(( segid " " and resid 82 and name HB1 ))
OR
(( segid " " and resid 39 and name HB2 ))
OR
(( segid " " and resid 39 and name HB1 ))
)
5.000 5.000 0.000 peak 4938 weight 0.10000E+01 volume 0.77400E+00 ppm1 4.353 ppm2 1.923
ASSI (
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)(
(( segid " " and resid 44 and name HN ))
OR
(( segid " " and resid 31 and name HN ))
)
5.000 5.000 0.000 peak 5325 weight 0.10000E+01 volume 0.94100E+00 ppm1 0.891 ppm2 8.423
ASSI (
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)(
(( segid " " and resid 30 and name HA ))
)
5.000 5.000 0.000 peak 5324 weight 0.10000E+01 volume 0.11750E+01 ppm1 0.891 ppm2 4.526
ASSI (
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)(
(( segid " " and resid 110 and name HB1 ))
OR
(( segid " " and resid 84 and name HB1 ))
OR
(( segid " " and resid 63 and name HE1 ))
)
5.000 5.000 0.000 peak 9389 weight 0.10000E+01 volume 0.34500E+00 ppm1 0.695 ppm2 2.750
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 79 and name HG1 ))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 64 and name HB2 ))
)
5.000 5.000 0.000 peak 5708 weight 0.10000E+01 volume 0.50100E+00 ppm1 0.872 ppm2 1.399
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)
3.300 3.300 0.000 peak 5707 weight 0.10000E+01 volume 0.20660E+01 ppm1 0.873 ppm2 0.498
ASSI (
(( segid " " and resid 76 and name HA ))
OR
(( segid " " and resid 21 and name HA ))
OR
(( segid " " and resid 6 and name HA ))
)(
(( segid " " and resid 90 and name HB1 ))
OR
(( segid " " and resid 23 and name HB2 ))
OR
(( segid " " and resid 6 and name HD2 ))
OR
(( segid " " and resid 1 and name HB1 ))
)
6.000 6.000 0.000 peak 4873 weight 0.10000E+01 volume 0.24300E+00 ppm1 4.300 ppm2 2.751
ASSI (
(( segid " " and resid 21 and name HA ))
OR
(( segid " " and resid 6 and name HA ))
)(
(( segid " " and resid 6 and name HD1 ))
OR
(( segid " " and resid 5 and name HD1 ))
OR
(( segid " " and resid 5 and name HA ))
)
6.000 6.000 0.000 peak 4872 weight 0.10000E+01 volume 0.24200E+00 ppm1 4.310 ppm2 3.436
ASSI (
(( segid " " and resid 21 and name HA ))
OR
(( segid " " and resid 17 and name HA ))
OR
(( segid " " and resid 6 and name HA ))
)(
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
OR
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)
6.000 6.000 0.000 peak 4874 weight 0.10000E+01 volume 0.16500E+00 ppm1 4.313 ppm2 0.077
ASSI (
(( segid " " and resid 18 and name HD23))
OR
(( segid " " and resid 18 and name HD22))
OR
(( segid " " and resid 18 and name HD21))
)(
(( segid " " and resid 5 and name HD1 ))
)
6.000 6.000 0.000 peak 7853 weight 0.10000E+01 volume 0.12600E+00 ppm1 0.851 ppm2 3.501
ASSI (
(( segid " " and resid 18 and name HD13))
OR
(( segid " " and resid 18 and name HD12))
OR
(( segid " " and resid 18 and name HD11))
)(
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)
5.000 5.000 0.000 peak 5532 weight 0.10000E+01 volume 0.46600E+00 ppm1 0.888 ppm2 0.122
ASSI (
(( segid " " and resid 18 and name HD13))
OR
(( segid " " and resid 18 and name HD12))
OR
(( segid " " and resid 18 and name HD11))
)(
(( segid " " and resid 5 and name HB2 ))
)
6.000 6.000 0.000 peak 5533 weight 0.10000E+01 volume 0.22100E+00 ppm1 0.888 ppm2 0.263
ASSI (
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
OR
(( segid " " and resid 63 and name HG2 ))
)(
(( segid " " and resid 85 and name HN ))
OR
(( segid " " and resid 65 and name HN ))
)
6.000 6.000 0.000 peak 8944 weight 0.10000E+01 volume 0.19900E+00 ppm1 0.967 ppm2 8.567
ASSI (
(( segid " " and resid 61 and name HG11))
OR
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)(
(( segid " " and resid 62 and name HA ))
OR
(( segid " " and resid 40 and name HB1 ))
OR
(( segid " " and resid 32 and name HB ))
OR
(( segid " " and resid 9 and name HB1 ))
)
6.000 6.000 0.000 peak 5627 weight 0.10000E+01 volume 0.29600E+00 ppm1 1.224 ppm2 3.917
ASSI (
(( segid " " and resid 61 and name HG11))
OR
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)(
(( segid " " and resid 40 and name HB2 ))
OR
(( segid " " and resid 10 and name HA ))
)
5.000 5.000 0.000 peak 5628 weight 0.10000E+01 volume 0.40400E+00 ppm1 1.227 ppm2 3.480
ASSI (
(( segid " " and resid 68 and name HG1 ))
OR
(( segid " " and resid 6 and name HG2 ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
OR
(( segid " " and resid 54 and name HE3 ))
OR
(( segid " " and resid 10 and name HZ ))
)
5.000 5.000 0.000 peak 9349 weight 0.10000E+01 volume 0.48000E+00 ppm1 1.498 ppm2 7.021
ASSI (
(( segid " " and resid 118 and name HG2 ))
)(
(( segid " " and resid 118 and name HG1 ))
OR
(( segid " " and resid 118 and name HB2 ))
)
2.700 2.700 0.000 peak 7507 weight 0.10000E+01 volume 0.66030E+01 ppm1 1.810 ppm2 2.025
ASSI (
(( segid " " and resid 99 and name HG12))
OR
(( segid " " and resid 71 and name HG ))
OR
(( segid " " and resid 68 and name HG2 ))
)(
(( segid " " and resid 122 and name HB1 ))
OR
(( segid " " and resid 90 and name HB1 ))
)
6.000 6.000 0.000 peak 5656 weight 0.10000E+01 volume 0.29200E+00 ppm1 1.011 ppm2 2.726
ASSI (
(( segid " " and resid 117 and name HB2 ))
)(
(( segid " " and resid 118 and name HD2 ))
OR
(( segid " " and resid 101 and name HB1 ))
)
5.000 5.000 0.000 peak 9534 weight 0.10000E+01 volume 0.69200E+00 ppm1 3.129 ppm2 3.783
ASSI (
(( segid " " and resid 6 and name HB2 ))
)(
(( segid " " and resid 7 and name HN ))
)
5.000 5.000 0.000 peak 5794 weight 0.10000E+01 volume 0.59400E+00 ppm1 1.635 ppm2 8.281
ASSI (
(( segid " " and resid 75 and name HB1 ))
)(
(( segid " " and resid 76 and name HN ))
)
5.000 5.000 0.000 peak 8791 weight 0.10000E+01 volume 0.11440E+01 ppm1 1.887 ppm2 8.337
ASSI (
(( segid " " and resid 87 and name HB2 ))
OR
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)(
(( segid " " and resid 87 and name HN ))
OR
(( segid " " and resid 81 and name HN ))
)
5.000 5.000 0.000 peak 9014 weight 0.10000E+01 volume 0.73100E+00 ppm1 1.873 ppm2 8.712
ASSI (
(( segid " " and resid 64 and name HB1 ))
)(
(( segid " " and resid 83 and name HN ))
OR
(( segid " " and resid 82 and name HN ))
)
5.000 5.000 0.000 peak 5425 weight 0.10000E+01 volume 0.92900E+00 ppm1 1.628 ppm2 7.960
ASSI (
(( segid " " and resid 64 and name HB2 ))
)(
(( segid " " and resid 64 and name HG2 ))
OR
(( segid " " and resid 64 and name HG1 ))
)
3.300 3.300 0.000 peak 8555 weight 0.10000E+01 volume 0.17830E+01 ppm1 1.418 ppm2 1.329
ASSI (
(( segid " " and resid 14 and name HB1 ))
)(
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)
5.000 5.000 0.000 peak 7796 weight 0.10000E+01 volume 0.44200E+00 ppm1 1.856 ppm2 1.106
ASSI (
(( segid " " and resid 14 and name HB2 ))
)(
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
OR
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
OR
(( segid " " and resid 12 and name HB1 ))
)
5.000 5.000 0.000 peak 5244 weight 0.10000E+01 volume 0.32900E+00 ppm1 1.555 ppm2 1.121
ASSI (
(( segid " " and resid 1 and name HA ))
)(
(( segid " " and resid 23 and name HB1 ))
OR
(( segid " " and resid 22 and name HD2 ))
OR
(( segid " " and resid 2 and name HB1 ))
)
5.000 5.000 0.000 peak 6522 weight 0.10000E+01 volume 0.40100E+00 ppm1 4.898 ppm2 3.034
ASSI (
(( segid " " and resid 1 and name HA ))
)(
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)
5.000 5.000 0.000 peak 6148 weight 0.10000E+01 volume 0.33700E+00 ppm1 4.900 ppm2 1.050
ASSI (
(( segid " " and resid 2 and name HB1 ))
)(
(( segid " " and resid 23 and name HB2 ))
OR
(( segid " " and resid 6 and name HD2 ))
OR
(( segid " " and resid 1 and name HB1 ))
)
5.000 5.000 0.000 peak 5162 weight 0.10000E+01 volume 0.36300E+00 ppm1 3.035 ppm2 2.730
ASSI (
(( segid " " and resid 2 and name HB1 ))
)(
(( segid " " and resid 54 and name HD1 ))
OR
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
OR
(( segid " " and resid 1 and name HD21))
)
6.000 6.000 0.000 peak 7536 weight 0.10000E+01 volume 0.28900E+00 ppm1 3.034 ppm2 7.304
ASSI (
(( segid " " and resid 4 and name HB1 ))
)(
(( segid " " and resid 21 and name HB ))
OR
(( segid " " and resid 21 and name HA ))
OR
(( segid " " and resid 20 and name HA ))
OR
(( segid " " and resid 6 and name HA ))
)
6.000 6.000 0.000 peak 7546 weight 0.10000E+01 volume 0.20100E+00 ppm1 2.433 ppm2 4.303
ASSI (
(( segid " " and resid 4 and name HB1 ))
)(
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
OR
(( segid " " and resid 22 and name HE ))
)
6.000 6.000 0.000 peak 7543 weight 0.10000E+01 volume 0.29900E+00 ppm1 2.436 ppm2 7.211
ASSI (
(( segid " " and resid 4 and name HD1 ))
)(
(( segid " " and resid 21 and name HB ))
OR
(( segid " " and resid 21 and name HA ))
OR
(( segid " " and resid 6 and name HA ))
)
5.000 5.000 0.000 peak 7622 weight 0.10000E+01 volume 0.32100E+00 ppm1 3.915 ppm2 4.294
ASSI (
(( segid " " and resid 4 and name HD2 ))
)(
(( segid " " and resid 21 and name HB ))
OR
(( segid " " and resid 21 and name HA ))
OR
(( segid " " and resid 6 and name HA ))
)
6.000 6.000 0.000 peak 4811 weight 0.10000E+01 volume 0.19000E+00 ppm1 3.638 ppm2 4.300
ASSI (
(( segid " " and resid 4 and name HG1 ))
)(
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)
6.000 6.000 0.000 peak 7608 weight 0.10000E+01 volume 0.19600E+00 ppm1 2.191 ppm2 1.063
ASSI (
(( segid " " and resid 4 and name HG1 ))
)(
(( segid " " and resid 21 and name HB ))
OR
(( segid " " and resid 21 and name HA ))
OR
(( segid " " and resid 20 and name HA ))
OR
(( segid " " and resid 6 and name HA ))
)
5.000 5.000 0.000 peak 5262 weight 0.10000E+01 volume 0.76000E+00 ppm1 2.189 ppm2 4.300
ASSI (
(( segid " " and resid 4 and name HG2 ))
)(
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)
5.000 5.000 0.000 peak 7609 weight 0.10000E+01 volume 0.31800E+00 ppm1 2.060 ppm2 1.062
ASSI (
(( segid " " and resid 4 and name HG2 ))
)(
(( segid " " and resid 21 and name HB ))
OR
(( segid " " and resid 21 and name HA ))
)
5.000 5.000 0.000 peak 5260 weight 0.10000E+01 volume 0.11590E+01 ppm1 2.061 ppm2 4.297
ASSI (
(( segid " " and resid 5 and name HA ))
)(
(( segid " " and resid 6 and name HG1 ))
)
6.000 6.000 0.000 peak 7625 weight 0.10000E+01 volume 0.22100E+00 ppm1 3.479 ppm2 1.998
ASSI (
(( segid " " and resid 5 and name HG2 ))
)(
(( segid " " and resid 23 and name HA ))
OR
(( segid " " and resid 4 and name HA ))
)
5.000 5.000 0.000 peak 7647 weight 0.10000E+01 volume 0.66200E+00 ppm1 0.912 ppm2 4.648
ASSI (
(( segid " " and resid 6 and name HG1 ))
)(
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
OR
(( segid " " and resid 54 and name HZ3 ))
)
6.000 6.000 0.000 peak 7671 weight 0.10000E+01 volume 0.29400E+00 ppm1 1.980 ppm2 6.661
ASSI (
(( segid " " and resid 7 and name HB ))
)(
(( segid " " and resid 8 and name HA ))
OR
(( segid " " and resid 6 and name HA ))
)
5.000 5.000 0.000 peak 5219 weight 0.10000E+01 volume 0.44700E+00 ppm1 3.869 ppm2 4.327
ASSI (
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)(
(( segid " " and resid 29 and name HB1 ))
OR
(( segid " " and resid 6 and name HB2 ))
)
6.000 6.000 0.000 peak 7717 weight 0.10000E+01 volume 0.11300E+00 ppm1 -0.294 ppm2 1.624
ASSI (
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)(
(( segid " " and resid 31 and name HB1 ))
)
6.000 6.000 0.000 peak 7720 weight 0.10000E+01 volume 0.97000E-01 ppm1 -0.295 ppm2 2.658
ASSI (
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)(
(( segid " " and resid 59 and name HE2 ))
OR
(( segid " " and resid 59 and name HE1 ))
)
5.000 5.000 0.000 peak 7728 weight 0.10000E+01 volume 0.39000E+00 ppm1 -0.295 ppm2 6.927
ASSI (
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)(
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
OR
(( segid " " and resid 8 and name HB1 ))
)
3.300 3.300 0.000 peak 7703 weight 0.10000E+01 volume 0.20210E+01 ppm1 -0.294 ppm2 1.233
ASSI (
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)(
(( segid " " and resid 9 and name HB2 ))
OR
(( segid " " and resid 7 and name HB ))
OR
(( segid " " and resid 7 and name HA ))
)
6.000 6.000 0.000 peak 7733 weight 0.10000E+01 volume 0.17100E+00 ppm1 0.071 ppm2 3.830
ASSI (
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)(
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)
6.000 6.000 0.000 peak 7739 weight 0.10000E+01 volume 0.21000E+00 ppm1 0.071 ppm2 6.834
ASSI (
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)(
(( segid " " and resid 12 and name HA ))
)
6.000 6.000 0.000 peak 7734 weight 0.10000E+01 volume 0.16400E+00 ppm1 0.072 ppm2 4.634
ASSI (
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)(
(( segid " " and resid 59 and name HZ ))
OR
(( segid " " and resid 10 and name HE2 ))
OR
(( segid " " and resid 10 and name HE1 ))
)
5.000 5.000 0.000 peak 7736 weight 0.10000E+01 volume 0.37300E+00 ppm1 0.073 ppm2 6.293
ASSI (
(( segid " " and resid 9 and name HA ))
)(
(( segid " " and resid 12 and name HA ))
)
6.000 6.000 0.000 peak 7747 weight 0.10000E+01 volume 0.62000E-01 ppm1 4.029 ppm2 4.583
ASSI (
(( segid " " and resid 10 and name HA ))
)(
(( segid " " and resid 37 and name HE2 ))
OR
(( segid " " and resid 37 and name HE1 ))
OR
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
OR
(( segid " " and resid 10 and name HD2 ))
OR
(( segid " " and resid 10 and name HD1 ))
)
5.000 5.000 0.000 peak 4844 weight 0.10000E+01 volume 0.54300E+00 ppm1 3.523 ppm2 6.690
ASSI (
(( segid " " and resid 10 and name HB2 ))
)(
(( segid " " and resid 60 and name HB2 ))
OR
(( segid " " and resid 60 and name HB1 ))
)
6.000 6.000 0.000 peak 5238 weight 0.10000E+01 volume 0.26400E+00 ppm1 2.144 ppm2 3.006
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)(
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
OR
(( segid " " and resid 8 and name HB2 ))
)
5.000 5.000 0.000 peak 7765 weight 0.10000E+01 volume 0.37200E+00 ppm1 1.225 ppm2 -0.116
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)(
(( segid " " and resid 10 and name HB2 ))
)
5.000 5.000 0.000 peak 7763 weight 0.10000E+01 volume 0.32800E+00 ppm1 1.225 ppm2 2.141
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)(
(( segid " " and resid 60 and name HB2 ))
OR
(( segid " " and resid 60 and name HB1 ))
OR
(( segid " " and resid 44 and name HA ))
)
5.000 5.000 0.000 peak 7762 weight 0.10000E+01 volume 0.36000E+00 ppm1 1.226 ppm2 3.007
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)(
(( segid " " and resid 59 and name HZ ))
OR
(( segid " " and resid 10 and name HE2 ))
OR
(( segid " " and resid 10 and name HE1 ))
)
3.300 3.300 0.000 peak 7761 weight 0.10000E+01 volume 0.15230E+01 ppm1 1.226 ppm2 6.318
ASSI (
(( segid " " and resid 15 and name HB1 ))
)(
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)
5.000 5.000 0.000 peak 5247 weight 0.10000E+01 volume 0.41500E+00 ppm1 2.692 ppm2 0.870
ASSI (
(( segid " " and resid 15 and name HB2 ))
)(
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)
5.000 5.000 0.000 peak 7805 weight 0.10000E+01 volume 0.34400E+00 ppm1 2.478 ppm2 0.869
ASSI (
(( segid " " and resid 16 and name HA ))
)(
(( segid " " and resid 17 and name HG23))
OR
(( segid " " and resid 17 and name HG22))
OR
(( segid " " and resid 17 and name HG21))
OR
(( segid " " and resid 16 and name HG12))
)
5.000 5.000 0.000 peak 7807 weight 0.10000E+01 volume 0.10130E+01 ppm1 4.113 ppm2 1.119
ASSI (
(( segid " " and resid 16 and name HA ))
)(
(( segid " " and resid 19 and name HN ))
OR
(( segid " " and resid 18 and name HN ))
)
6.000 6.000 0.000 peak 7811 weight 0.10000E+01 volume 0.23300E+00 ppm1 4.113 ppm2 8.074
ASSI (
(( segid " " and resid 16 and name HB ))
)(
(( segid " " and resid 16 and name HG12))
)
5.000 5.000 0.000 peak 7813 weight 0.10000E+01 volume 0.74000E+00 ppm1 1.898 ppm2 1.115
ASSI (
(( segid " " and resid 16 and name HD13))
OR
(( segid " " and resid 16 and name HD12))
OR
(( segid " " and resid 16 and name HD11))
)(
(( segid " " and resid 13 and name HD1 ))
OR
(( segid " " and resid 5 and name HD1 ))
OR
(( segid " " and resid 5 and name HA ))
)
5.000 5.000 0.000 peak 7824 weight 0.10000E+01 volume 0.30100E+00 ppm1 0.776 ppm2 3.457
ASSI (
(( segid " " and resid 17 and name HA ))
)(
(( segid " " and resid 18 and name HD23))
OR
(( segid " " and resid 18 and name HD22))
OR
(( segid " " and resid 18 and name HD21))
OR
(( segid " " and resid 18 and name HD13))
OR
(( segid " " and resid 18 and name HD12))
OR
(( segid " " and resid 18 and name HD11))
OR
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)
3.300 3.300 0.000 peak 5250 weight 0.10000E+01 volume 0.20270E+01 ppm1 4.336 ppm2 0.845
ASSI (
(( segid " " and resid 17 and name HB ))
)(
(( segid " " and resid 18 and name HB2 ))
OR
(( segid " " and resid 18 and name HB1 ))
OR
(( segid " " and resid 13 and name HB1 ))
)
5.000 5.000 0.000 peak 7838 weight 0.10000E+01 volume 0.39400E+00 ppm1 4.169 ppm2 1.669
ASSI (
(( segid " " and resid 17 and name HB ))
)(
(( segid " " and resid 20 and name HB2 ))
OR
(( segid " " and resid 20 and name HB1 ))
)
6.000 6.000 0.000 peak 5251 weight 0.10000E+01 volume 0.26300E+00 ppm1 4.169 ppm2 1.758
ASSI (
(( segid " " and resid 18 and name HA ))
)(
(( segid " " and resid 19 and name HG23))
OR
(( segid " " and resid 19 and name HG22))
OR
(( segid " " and resid 19 and name HG21))
OR
(( segid " " and resid 17 and name HG23))
OR
(( segid " " and resid 17 and name HG22))
OR
(( segid " " and resid 17 and name HG21))
OR
(( segid " " and resid 16 and name HG12))
)
6.000 6.000 0.000 peak 4863 weight 0.10000E+01 volume 0.29400E+00 ppm1 4.413 ppm2 1.120
ASSI (
(( segid " " and resid 18 and name HA ))
)(
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)
6.000 6.000 0.000 peak 7845 weight 0.10000E+01 volume 0.26900E+00 ppm1 4.413 ppm2 7.209
ASSI (
(( segid " " and resid 18 and name HB1 ))
)(
(( segid " " and resid 19 and name HN ))
OR
(( segid " " and resid 18 and name HN ))
)
3.300 3.300 0.000 peak 6219 weight 0.10000E+01 volume 0.28470E+01 ppm1 1.692 ppm2 8.063
ASSI (
(( segid " " and resid 18 and name HB1 ))
)(
(( segid " " and resid 21 and name HA ))
OR
(( segid " " and resid 20 and name HA ))
OR
(( segid " " and resid 19 and name HB ))
OR
(( segid " " and resid 19 and name HA ))
OR
(( segid " " and resid 17 and name HA ))
)
5.000 5.000 0.000 peak 7848 weight 0.10000E+01 volume 0.38000E+00 ppm1 1.691 ppm2 4.298
ASSI (
(( segid " " and resid 18 and name HB2 ))
)(
(( segid " " and resid 21 and name HA ))
OR
(( segid " " and resid 20 and name HA ))
OR
(( segid " " and resid 19 and name HB ))
OR
(( segid " " and resid 19 and name HA ))
OR
(( segid " " and resid 17 and name HA ))
)
5.000 5.000 0.000 peak 7849 weight 0.10000E+01 volume 0.40300E+00 ppm1 1.637 ppm2 4.298
ASSI (
(( segid " " and resid 18 and name HB2 ))
)(
(( segid " " and resid 19 and name HN ))
OR
(( segid " " and resid 18 and name HN ))
)
3.300 3.300 0.000 peak 6218 weight 0.10000E+01 volume 0.28380E+01 ppm1 1.636 ppm2 8.062
ASSI (
(( segid " " and resid 18 and name HD13))
OR
(( segid " " and resid 18 and name HD12))
OR
(( segid " " and resid 18 and name HD11))
)(
(( segid " " and resid 5 and name HD1 ))
OR
(( segid " " and resid 5 and name HA ))
)
6.000 6.000 0.000 peak 5308 weight 0.10000E+01 volume 0.15400E+00 ppm1 0.887 ppm2 3.455
ASSI (
(( segid " " and resid 18 and name HD13))
OR
(( segid " " and resid 18 and name HD12))
OR
(( segid " " and resid 18 and name HD11))
)(
(( segid " " and resid 20 and name HB2 ))
OR
(( segid " " and resid 20 and name HB1 ))
OR
(( segid " " and resid 13 and name HG2 ))
OR
(( segid " " and resid 13 and name HG1 ))
OR
(( segid " " and resid 4 and name HB2 ))
)
5.000 5.000 0.000 peak 7858 weight 0.10000E+01 volume 0.67400E+00 ppm1 0.888 ppm2 1.764
ASSI (
(( segid " " and resid 18 and name HD13))
OR
(( segid " " and resid 18 and name HD12))
OR
(( segid " " and resid 18 and name HD11))
)(
(( segid " " and resid 18 and name HB2 ))
OR
(( segid " " and resid 18 and name HB1 ))
)
3.300 3.300 0.000 peak 7857 weight 0.10000E+01 volume 0.23690E+01 ppm1 0.890 ppm2 1.673
ASSI (
(( segid " " and resid 20 and name HG2 ))
OR
(( segid " " and resid 20 and name HG1 ))
)(
(( segid " " and resid 18 and name HD23))
OR
(( segid " " and resid 18 and name HD22))
OR
(( segid " " and resid 18 and name HD21))
OR
(( segid " " and resid 18 and name HD13))
OR
(( segid " " and resid 18 and name HD12))
OR
(( segid " " and resid 18 and name HD11))
OR
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)
6.000 6.000 0.000 peak 5536 weight 0.10000E+01 volume 0.29500E+00 ppm1 2.032 ppm2 0.872
ASSI (
(( segid " " and resid 21 and name HB ))
)(
(( segid " " and resid 22 and name HG2 ))
OR
(( segid " " and resid 22 and name HG1 ))
OR
(( segid " " and resid 22 and name HB2 ))
OR
(( segid " " and resid 22 and name HB1 ))
)
5.000 5.000 0.000 peak 5258 weight 0.10000E+01 volume 0.37900E+00 ppm1 4.271 ppm2 1.519
ASSI (
(( segid " " and resid 22 and name HA ))
)(
(( segid " " and resid 23 and name HB2 ))
OR
(( segid " " and resid 1 and name HB1 ))
)
5.000 5.000 0.000 peak 4868 weight 0.10000E+01 volume 0.46300E+00 ppm1 4.933 ppm2 2.750
ASSI (
(( segid " " and resid 22 and name HA ))
)(
(( segid " " and resid 27 and name HB ))
OR
(( segid " " and resid 3 and name HA2 ))
)
5.000 5.000 0.000 peak 7879 weight 0.10000E+01 volume 0.53500E+00 ppm1 4.933 ppm2 3.971
ASSI (
(( segid " " and resid 22 and name HB2 ))
OR
(( segid " " and resid 22 and name HB1 ))
)(
(( segid " " and resid 22 and name HD2 ))
OR
(( segid " " and resid 22 and name HD1 ))
)
5.000 5.000 0.000 peak 7887 weight 0.10000E+01 volume 0.99400E+00 ppm1 1.528 ppm2 3.080
ASSI (
(( segid " " and resid 23 and name HB2 ))
)(
(( segid " " and resid 48 and name HA ))
OR
(( segid " " and resid 27 and name HB ))
OR
(( segid " " and resid 27 and name HA ))
)
6.000 6.000 0.000 peak 7896 weight 0.10000E+01 volume 0.19800E+00 ppm1 2.713 ppm2 4.015
ASSI (
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)(
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
OR
(( segid " " and resid 16 and name HD13))
OR
(( segid " " and resid 16 and name HD12))
OR
(( segid " " and resid 16 and name HD11))
)
6.000 6.000 0.000 peak 7902 weight 0.10000E+01 volume 0.27500E+00 ppm1 7.315 ppm2 0.779
ASSI (
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)(
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
OR
(( segid " " and resid 24 and name HG1 ))
OR
(( segid " " and resid 22 and name HG2 ))
OR
(( segid " " and resid 22 and name HG1 ))
OR
(( segid " " and resid 22 and name HB2 ))
OR
(( segid " " and resid 22 and name HB1 ))
)
5.000 5.000 0.000 peak 7901 weight 0.10000E+01 volume 0.97700E+00 ppm1 7.318 ppm2 1.520
ASSI (
(( segid " " and resid 25 and name HA ))
)(
(( segid " " and resid 26 and name HA1 ))
OR
(( segid " " and resid 24 and name HA ))
)
6.000 6.000 0.000 peak 4897 weight 0.10000E+01 volume 0.21900E+00 ppm1 3.514 ppm2 4.386
ASSI (
(( segid " " and resid 25 and name HB ))
)(
(( segid " " and resid 24 and name HB2 ))
OR
(( segid " " and resid 24 and name HB1 ))
)
5.000 5.000 0.000 peak 7926 weight 0.10000E+01 volume 0.30200E+00 ppm1 3.790 ppm2 1.764
ASSI (
(( segid " " and resid 25 and name HB ))
)(
(( segid " " and resid 26 and name HA1 ))
OR
(( segid " " and resid 24 and name HA ))
)
5.000 5.000 0.000 peak 7907 weight 0.10000E+01 volume 0.46000E+00 ppm1 3.787 ppm2 4.394
ASSI (
(( segid " " and resid 26 and name HA1 ))
)(
(( segid " " and resid 47 and name HG23))
OR
(( segid " " and resid 47 and name HG22))
OR
(( segid " " and resid 47 and name HG21))
OR
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)
5.000 5.000 0.000 peak 4904 weight 0.10000E+01 volume 0.60300E+00 ppm1 4.361 ppm2 1.017
ASSI (
(( segid " " and resid 26 and name HA2 ))
)(
(( segid " " and resid 47 and name HG23))
OR
(( segid " " and resid 47 and name HG22))
OR
(( segid " " and resid 47 and name HG21))
OR
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)
5.000 5.000 0.000 peak 4905 weight 0.10000E+01 volume 0.51600E+00 ppm1 3.476 ppm2 1.009
ASSI (
(( segid " " and resid 27 and name HA ))
)(
(( segid " " and resid 23 and name HA ))
)
6.000 6.000 0.000 peak 7933 weight 0.10000E+01 volume 0.20400E+00 ppm1 4.064 ppm2 4.634
ASSI (
(( segid " " and resid 27 and name HB ))
)(
(( segid " " and resid 23 and name HA ))
)
5.000 5.000 0.000 peak 5266 weight 0.10000E+01 volume 0.52700E+00 ppm1 4.009 ppm2 4.635
ASSI (
(( segid " " and resid 27 and name HB ))
)(
(( segid " " and resid 54 and name HH2 ))
)
6.000 6.000 0.000 peak 7937 weight 0.10000E+01 volume 0.18500E+00 ppm1 4.012 ppm2 6.241
ASSI (
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)(
(( segid " " and resid 54 and name HD1 ))
OR
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
OR
(( segid " " and resid 22 and name HN ))
)
3.300 3.300 0.000 peak 6242 weight 0.10000E+01 volume 0.16080E+01 ppm1 1.509 ppm2 7.315
ASSI (
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)(
(( segid " " and resid 23 and name HA ))
OR
(( segid " " and resid 4 and name HA ))
)
5.000 5.000 0.000 peak 5550 weight 0.10000E+01 volume 0.66400E+00 ppm1 1.508 ppm2 4.661
ASSI (
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)(
(( segid " " and resid 23 and name HB2 ))
)
5.000 5.000 0.000 peak 5553 weight 0.10000E+01 volume 0.38900E+00 ppm1 1.508 ppm2 2.724
ASSI (
(( segid " " and resid 28 and name HB ))
)(
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)
5.000 5.000 0.000 peak 5270 weight 0.10000E+01 volume 0.71100E+00 ppm1 3.942 ppm2 1.532
ASSI (
(( segid " " and resid 28 and name HG23))
OR
(( segid " " and resid 28 and name HG22))
OR
(( segid " " and resid 28 and name HG21))
)(
(( segid " " and resid 45 and name HB ))
)
3.300 3.300 0.000 peak 7969 weight 0.10000E+01 volume 0.19080E+01 ppm1 1.136 ppm2 3.862
ASSI (
(( segid " " and resid 29 and name HA ))
)(
(( segid " " and resid 29 and name HG ))
OR
(( segid " " and resid 27 and name HG21))
)
5.000 5.000 0.000 peak 7955 weight 0.10000E+01 volume 0.49300E+00 ppm1 4.763 ppm2 1.487
ASSI (
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)(
(( segid " " and resid 45 and name HN ))
OR
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)
6.000 6.000 0.000 peak 8000 weight 0.10000E+01 volume 0.13500E+00 ppm1 0.073 ppm2 6.540
ASSI (
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)(
(( segid " " and resid 23 and name HA ))
OR
(( segid " " and resid 12 and name HA ))
OR
(( segid " " and resid 4 and name HA ))
)
6.000 6.000 0.000 peak 8005 weight 0.10000E+01 volume 0.14400E+00 ppm1 0.074 ppm2 4.644
ASSI (
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)(
(( segid " " and resid 54 and name HH2 ))
OR
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)
5.000 5.000 0.000 peak 8001 weight 0.10000E+01 volume 0.12330E+01 ppm1 0.074 ppm2 6.242
ASSI (
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)(
(( segid " " and resid 28 and name HG23))
OR
(( segid " " and resid 28 and name HG22))
OR
(( segid " " and resid 28 and name HG21))
OR
(( segid " " and resid 5 and name HB1 ))
)
5.000 5.000 0.000 peak 8008 weight 0.10000E+01 volume 0.41600E+00 ppm1 0.075 ppm2 1.154
ASSI (
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 46 and name HA ))
OR
(( segid " " and resid 22 and name HA ))
)
5.000 5.000 0.000 peak 8017 weight 0.10000E+01 volume 0.97100E+00 ppm1 0.757 ppm2 4.909
ASSI (
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 45 and name HN ))
OR
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)
6.000 6.000 0.000 peak 8014 weight 0.10000E+01 volume 0.23700E+00 ppm1 0.760 ppm2 6.546
ASSI (
(( segid " " and resid 30 and name HA ))
)(
(( segid " " and resid 31 and name HN ))
)
5.000 5.000 0.000 peak 7943 weight 0.10000E+01 volume 0.10790E+01 ppm1 4.492 ppm2 8.397
ASSI (
(( segid " " and resid 30 and name HA ))
)(
(( segid " " and resid 29 and name HB2 ))
OR
(( segid " " and resid 16 and name HG11))
)
5.000 5.000 0.000 peak 8030 weight 0.10000E+01 volume 0.38900E+00 ppm1 4.493 ppm2 1.331
ASSI (
(( segid " " and resid 30 and name HA ))
)(
(( segid " " and resid 17 and name HN ))
OR
(( segid " " and resid 14 and name HN ))
)
6.000 6.000 0.000 peak 8022 weight 0.10000E+01 volume 0.19700E+00 ppm1 4.494 ppm2 8.246
ASSI (
(( segid " " and resid 30 and name HA ))
)(
(( segid " " and resid 45 and name HB ))
OR
(( segid " " and resid 32 and name HB ))
OR
(( segid " " and resid 28 and name HB ))
)
5.000 5.000 0.000 peak 8024 weight 0.10000E+01 volume 0.61700E+00 ppm1 4.497 ppm2 3.915
ASSI (
(( segid " " and resid 30 and name HB1 ))
)(
(( segid " " and resid 31 and name HN ))
)
3.300 3.300 0.000 peak 8033 weight 0.10000E+01 volume 0.19880E+01 ppm1 1.843 ppm2 8.381
ASSI (
(( segid " " and resid 31 and name HA ))
)(
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
OR
(( segid " " and resid 16 and name HG12))
OR
(( segid " " and resid 5 and name HB1 ))
)
5.000 5.000 0.000 peak 8040 weight 0.10000E+01 volume 0.35900E+00 ppm1 4.806 ppm2 1.104
ASSI (
(( segid " " and resid 31 and name HA ))
)(
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
OR
(( segid " " and resid 8 and name HB1 ))
)
6.000 6.000 0.000 peak 8039 weight 0.10000E+01 volume 0.12500E+00 ppm1 4.806 ppm2 1.244
ASSI (
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)(
(( segid " " and resid 13 and name HA ))
)
6.000 6.000 0.000 peak 8066 weight 0.10000E+01 volume 0.18200E+00 ppm1 1.092 ppm2 3.132
ASSI (
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)(
(( segid " " and resid 12 and name HA ))
)
5.000 5.000 0.000 peak 8065 weight 0.10000E+01 volume 0.44000E+00 ppm1 1.092 ppm2 4.617
ASSI (
(( segid " " and resid 33 and name HA ))
)(
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 37 and name HE2 ))
OR
(( segid " " and resid 37 and name HE1 ))
OR
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
OR
(( segid " " and resid 10 and name HD2 ))
OR
(( segid " " and resid 10 and name HD1 ))
)
6.000 6.000 0.000 peak 8072 weight 0.10000E+01 volume 0.22700E+00 ppm1 5.089 ppm2 6.695
ASSI (
(( segid " " and resid 34 and name HD13))
OR
(( segid " " and resid 34 and name HD12))
OR
(( segid " " and resid 34 and name HD11))
)(
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
OR
(( segid " " and resid 37 and name HE2 ))
OR
(( segid " " and resid 37 and name HE1 ))
OR
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
OR
(( segid " " and resid 10 and name HD2 ))
OR
(( segid " " and resid 10 and name HD1 ))
)
5.000 5.000 0.000 peak 8103 weight 0.10000E+01 volume 0.14150E+01 ppm1 0.560 ppm2 6.698
ASSI (
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)(
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 37 and name HE2 ))
OR
(( segid " " and resid 37 and name HE1 ))
OR
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
OR
(( segid " " and resid 10 and name HD2 ))
OR
(( segid " " and resid 10 and name HD1 ))
)
5.000 5.000 0.000 peak 8106 weight 0.10000E+01 volume 0.54400E+00 ppm1 0.803 ppm2 6.706
ASSI (
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)(
(( segid " " and resid 36 and name HA2 ))
OR
(( segid " " and resid 33 and name HB1 ))
OR
(( segid " " and resid 13 and name HD2 ))
)
6.000 6.000 0.000 peak 8111 weight 0.10000E+01 volume 0.20400E+00 ppm1 0.804 ppm2 3.266
ASSI (
(( segid " " and resid 35 and name HG1 ))
)(
(( segid " " and resid 34 and name HA ))
)
5.000 5.000 0.000 peak 8123 weight 0.10000E+01 volume 0.82600E+00 ppm1 2.110 ppm2 4.388
ASSI (
(( segid " " and resid 37 and name HA ))
)(
(( segid " " and resid 62 and name HA ))
)
3.300 3.300 0.000 peak 8143 weight 0.10000E+01 volume 0.16260E+01 ppm1 5.005 ppm2 3.929
ASSI (
(( segid " " and resid 37 and name HA ))
)(
(( segid " " and resid 58 and name HG23))
OR
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
OR
(( segid " " and resid 34 and name HD13))
OR
(( segid " " and resid 34 and name HD12))
OR
(( segid " " and resid 34 and name HD11))
)
5.000 5.000 0.000 peak 8147 weight 0.10000E+01 volume 0.50800E+00 ppm1 5.007 ppm2 0.547
ASSI (
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)(
(( segid " " and resid 59 and name HB1 ))
OR
(( segid " " and resid 58 and name HA ))
OR
(( segid " " and resid 35 and name HD2 ))
OR
(( segid " " and resid 10 and name HA ))
)
5.000 5.000 0.000 peak 7469 weight 0.10000E+01 volume 0.34300E+00 ppm1 6.686 ppm2 3.547
ASSI (
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)(
(( segid " " and resid 60 and name HB2 ))
OR
(( segid " " and resid 60 and name HB1 ))
)
5.000 5.000 0.000 peak 8153 weight 0.10000E+01 volume 0.43700E+00 ppm1 6.687 ppm2 3.006
ASSI (
(( segid " " and resid 38 and name HB ))
)(
(( segid " " and resid 62 and name HN ))
OR
(( segid " " and resid 40 and name HN ))
OR
(( segid " " and resid 39 and name HN ))
)
5.000 5.000 0.000 peak 8161 weight 0.10000E+01 volume 0.14520E+01 ppm1 1.715 ppm2 8.381
ASSI (
(( segid " " and resid 38 and name HB ))
)(
(( segid " " and resid 63 and name HG2 ))
)
5.000 5.000 0.000 peak 8163 weight 0.10000E+01 volume 0.37700E+00 ppm1 1.717 ppm2 1.019
ASSI (
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)(
(( segid " " and resid 113 and name HB ))
OR
(( segid " " and resid 39 and name HB2 ))
OR
(( segid " " and resid 39 and name HB1 ))
)
5.000 5.000 0.000 peak 5000 weight 0.10000E+01 volume 0.70300E+00 ppm1 0.514 ppm2 1.907
ASSI (
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)(
(( segid " " and resid 64 and name HN ))
)
6.000 6.000 0.000 peak 8168 weight 0.10000E+01 volume 0.26800E+00 ppm1 0.514 ppm2 7.727
ASSI (
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)(
(( segid " " and resid 85 and name HA1 ))
OR
(( segid " " and resid 62 and name HA ))
OR
(( segid " " and resid 40 and name HB1 ))
)
6.000 6.000 0.000 peak 8177 weight 0.10000E+01 volume 0.27200E+00 ppm1 0.515 ppm2 3.926
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 113 and name HN ))
OR
(( segid " " and resid 84 and name HN ))
OR
(( segid " " and resid 37 and name HN ))
)
6.000 6.000 0.000 peak 8181 weight 0.10000E+01 volume 0.28800E+00 ppm1 0.560 ppm2 8.149
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 113 and name HB ))
OR
(( segid " " and resid 108 and name HB ))
)
5.000 5.000 0.000 peak 8188 weight 0.10000E+01 volume 0.66400E+00 ppm1 0.561 ppm2 1.859
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 39 and name HD2 ))
OR
(( segid " " and resid 39 and name HD1 ))
OR
(( segid " " and resid 36 and name HA2 ))
OR
(( segid " " and resid 33 and name HB1 ))
)
6.000 6.000 0.000 peak 8187 weight 0.10000E+01 volume 0.19300E+00 ppm1 0.561 ppm2 3.220
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 64 and name HA ))
OR
(( segid " " and resid 61 and name HA ))
OR
(( segid " " and resid 40 and name HA ))
)
5.000 5.000 0.000 peak 8186 weight 0.10000E+01 volume 0.39400E+00 ppm1 0.561 ppm2 4.496
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 64 and name HN ))
OR
(( segid " " and resid 63 and name HN ))
)
6.000 6.000 0.000 peak 8182 weight 0.10000E+01 volume 0.24500E+00 ppm1 0.561 ppm2 7.779
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 39 and name HB2 ))
OR
(( segid " " and resid 39 and name HB1 ))
)
5.000 5.000 0.000 peak 5304 weight 0.10000E+01 volume 0.65200E+00 ppm1 0.561 ppm2 1.951
ASSI (
(( segid " " and resid 40 and name HB2 ))
)(
(( segid " " and resid 61 and name HG12))
)
5.000 5.000 0.000 peak 5306 weight 0.10000E+01 volume 0.35400E+00 ppm1 3.456 ppm2 0.925
ASSI (
(( segid " " and resid 40 and name HB2 ))
)(
(( segid " " and resid 58 and name HG23))
OR
(( segid " " and resid 58 and name HG22))
OR
(( segid " " and resid 58 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
6.000 6.000 0.000 peak 5311 weight 0.10000E+01 volume 0.14900E+00 ppm1 3.457 ppm2 0.478
ASSI (
(( segid " " and resid 42 and name HB1 ))
)(
(( segid " " and resid 59 and name HA ))
OR
(( segid " " and resid 39 and name HA ))
)
5.000 5.000 0.000 peak 5322 weight 0.10000E+01 volume 0.78700E+00 ppm1 3.994 ppm2 4.632
ASSI (
(( segid " " and resid 43 and name HB ))
)(
(( segid " " and resid 59 and name HA ))
)
5.000 5.000 0.000 peak 8215 weight 0.10000E+01 volume 0.60600E+00 ppm1 4.107 ppm2 4.634
ASSI (
(( segid " " and resid 43 and name HG23))
OR
(( segid " " and resid 43 and name HG22))
OR
(( segid " " and resid 43 and name HG21))
)(
(( segid " " and resid 60 and name HN ))
OR
(( segid " " and resid 45 and name HN ))
)
5.000 5.000 0.000 peak 8218 weight 0.10000E+01 volume 0.42300E+00 ppm1 1.163 ppm2 6.510
ASSI (
(( segid " " and resid 45 and name HA ))
)(
(( segid " " and resid 30 and name HA ))
)
5.000 5.000 0.000 peak 4956 weight 0.10000E+01 volume 0.54200E+00 ppm1 5.200 ppm2 4.519
ASSI (
(( segid " " and resid 45 and name HA ))
)(
(( segid " " and resid 46 and name HN ))
)
3.300 3.300 0.000 peak 3520 weight 0.10000E+01 volume 0.16110E+01 ppm1 5.201 ppm2 8.485
ASSI (
(( segid " " and resid 45 and name HB ))
)(
(( segid " " and resid 28 and name HG23))
OR
(( segid " " and resid 28 and name HG22))
OR
(( segid " " and resid 28 and name HG21))
)
3.300 3.300 0.000 peak 5327 weight 0.10000E+01 volume 0.21690E+01 ppm1 3.864 ppm2 1.150
ASSI (
(( segid " " and resid 45 and name HB ))
)(
(( segid " " and resid 46 and name HN ))
)
5.000 5.000 0.000 peak 8225 weight 0.10000E+01 volume 0.88900E+00 ppm1 3.866 ppm2 8.499
ASSI (
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)(
(( segid " " and resid 44 and name HA ))
)
6.000 6.000 0.000 peak 8236 weight 0.10000E+01 volume 0.12800E+00 ppm1 0.891 ppm2 3.029
ASSI (
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)(
(( segid " " and resid 47 and name HN ))
OR
(( segid " " and resid 46 and name HN ))
)
5.000 5.000 0.000 peak 8231 weight 0.10000E+01 volume 0.64600E+00 ppm1 0.891 ppm2 8.491
ASSI (
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 54 and name HE3 ))
)
6.000 6.000 0.000 peak 5605 weight 0.10000E+01 volume 0.24100E+00 ppm1 4.871 ppm2 7.069
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
OR
(( segid " " and resid 13 and name HB2 ))
OR
(( segid " " and resid 6 and name HG2 ))
)
5.000 5.000 0.000 peak 8287 weight 0.10000E+01 volume 0.41800E+00 ppm1 -0.002 ppm2 1.526
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
OR
(( segid " " and resid 54 and name HZ3 ))
)
6.000 6.000 0.000 peak 8275 weight 0.10000E+01 volume 0.28300E+00 ppm1 -0.002 ppm2 6.674
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 48 and name HN ))
OR
(( segid " " and resid 47 and name HN ))
OR
(( segid " " and resid 46 and name HN ))
)
5.000 5.000 0.000 peak 8269 weight 0.10000E+01 volume 0.36900E+00 ppm1 -0.002 ppm2 8.478
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 12 and name HA ))
OR
(( segid " " and resid 4 and name HA ))
)
6.000 6.000 0.000 peak 8281 weight 0.10000E+01 volume 0.12800E+00 ppm1 -0.003 ppm2 4.648
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 56 and name HA ))
OR
(( segid " " and resid 54 and name HA ))
)
6.000 6.000 0.000 peak 8278 weight 0.10000E+01 volume 0.21500E+00 ppm1 -0.003 ppm2 5.002
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 54 and name HD1 ))
OR
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)
6.000 6.000 0.000 peak 8270 weight 0.10000E+01 volume 0.12800E+00 ppm1 -0.003 ppm2 7.303
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 55 and name HN ))
)
6.000 6.000 0.000 peak 8268 weight 0.10000E+01 volume 0.11000E+00 ppm1 -0.003 ppm2 9.604
ASSI (
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)(
(( segid " " and resid 59 and name HD2 ))
OR
(( segid " " and resid 59 and name HD1 ))
)
6.000 6.000 0.000 peak 8292 weight 0.10000E+01 volume 0.12700E+00 ppm1 -0.148 ppm2 7.752
ASSI (
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)(
(( segid " " and resid 54 and name HE3 ))
)
6.000 6.000 0.000 peak 8293 weight 0.10000E+01 volume 0.17200E+00 ppm1 -0.149 ppm2 7.062
ASSI (
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)(
(( segid " " and resid 57 and name HB2 ))
OR
(( segid " " and resid 57 and name HB1 ))
OR
(( segid " " and resid 31 and name HB1 ))
)
6.000 6.000 0.000 peak 8302 weight 0.10000E+01 volume 0.13200E+00 ppm1 -0.150 ppm2 2.663
ASSI (
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)(
(( segid " " and resid 59 and name HB2 ))
OR
(( segid " " and resid 54 and name HB2 ))
)
6.000 6.000 0.000 peak 8301 weight 0.10000E+01 volume 0.10800E+00 ppm1 -0.150 ppm2 2.919
ASSI (
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)(
(( segid " " and resid 56 and name HA ))
OR
(( segid " " and resid 54 and name HA ))
)
6.000 6.000 0.000 peak 8299 weight 0.10000E+01 volume 0.20600E+00 ppm1 -0.150 ppm2 5.002
ASSI (
(( segid " " and resid 46 and name HG ))
)(
(( segid " " and resid 54 and name HB1 ))
OR
(( segid " " and resid 13 and name HA ))
OR
(( segid " " and resid 2 and name HB1 ))
)
6.000 6.000 0.000 peak 8265 weight 0.10000E+01 volume 0.17800E+00 ppm1 1.406 ppm2 3.084
ASSI (
(( segid " " and resid 46 and name HG ))
)(
(( segid " " and resid 54 and name HE3 ))
)
6.000 6.000 0.000 peak 8258 weight 0.10000E+01 volume 0.25900E+00 ppm1 1.407 ppm2 7.069
ASSI (
(( segid " " and resid 47 and name HA ))
)(
(( segid " " and resid 54 and name HZ3 ))
)
6.000 6.000 0.000 peak 8305 weight 0.10000E+01 volume 0.20600E+00 ppm1 5.578 ppm2 6.722
ASSI (
(( segid " " and resid 47 and name HB ))
)(
(( segid " " and resid 55 and name HB ))
OR
(( segid " " and resid 53 and name HG2 ))
)
5.000 5.000 0.000 peak 5338 weight 0.10000E+01 volume 0.89000E+00 ppm1 3.785 ppm2 2.063
ASSI (
(( segid " " and resid 48 and name HA ))
)(
(( segid " " and resid 54 and name HB2 ))
OR
(( segid " " and resid 49 and name HB2 ))
)
6.000 6.000 0.000 peak 4976 weight 0.10000E+01 volume 0.23200E+00 ppm1 3.972 ppm2 2.899
ASSI (
(( segid " " and resid 48 and name HA ))
)(
(( segid " " and resid 49 and name HA ))
OR
(( segid " " and resid 3 and name HA1 ))
)
5.000 5.000 0.000 peak 8316 weight 0.10000E+01 volume 0.81700E+00 ppm1 3.974 ppm2 4.814
ASSI (
(( segid " " and resid 48 and name HA ))
)(
(( segid " " and resid 54 and name HA ))
)
5.000 5.000 0.000 peak 4867 weight 0.10000E+01 volume 0.11290E+01 ppm1 3.974 ppm2 4.985
ASSI (
(( segid " " and resid 48 and name HA ))
)(
(( segid " " and resid 54 and name HE3 ))
)
6.000 6.000 0.000 peak 8315 weight 0.10000E+01 volume 0.22100E+00 ppm1 3.974 ppm2 7.077
ASSI (
(( segid " " and resid 48 and name HB2 ))
)(
(( segid " " and resid 48 and name HA ))
OR
(( segid " " and resid 27 and name HB ))
)
5.000 5.000 0.000 peak 7942 weight 0.10000E+01 volume 0.62100E+00 ppm1 1.319 ppm2 4.012
ASSI (
(( segid " " and resid 49 and name HA ))
)(
(( segid " " and resid 47 and name HG23))
OR
(( segid " " and resid 47 and name HG22))
OR
(( segid " " and resid 47 and name HG21))
OR
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)
5.000 5.000 0.000 peak 4979 weight 0.10000E+01 volume 0.14780E+01 ppm1 4.802 ppm2 1.012
ASSI (
(( segid " " and resid 50 and name HB1 ))
)(
(( segid " " and resid 52 and name HA2 ))
OR
(( segid " " and resid 49 and name HB1 ))
)
5.000 5.000 0.000 peak 8346 weight 0.10000E+01 volume 0.32200E+00 ppm1 3.922 ppm2 3.404
ASSI (
(( segid " " and resid 50 and name HB2 ))
)(
(( segid " " and resid 52 and name HA2 ))
OR
(( segid " " and resid 49 and name HB1 ))
)
5.000 5.000 0.000 peak 8347 weight 0.10000E+01 volume 0.35100E+00 ppm1 3.796 ppm2 3.405
ASSI (
(( segid " " and resid 51 and name HB1 ))
)(
(( segid " " and resid 53 and name HG1 ))
)
5.000 5.000 0.000 peak 8356 weight 0.10000E+01 volume 0.48100E+00 ppm1 2.786 ppm2 2.162
ASSI (
(( segid " " and resid 52 and name HA1 ))
)(
(( segid " " and resid 2 and name HA ))
)
6.000 6.000 0.000 peak 8357 weight 0.10000E+01 volume 0.23700E+00 ppm1 3.683 ppm2 4.560
ASSI (
(( segid " " and resid 52 and name HA1 ))
)(
(( segid " " and resid 51 and name HB2 ))
)
5.000 5.000 0.000 peak 4981 weight 0.10000E+01 volume 0.35600E+00 ppm1 3.684 ppm2 2.542
ASSI (
(( segid " " and resid 52 and name HA2 ))
)(
(( segid " " and resid 2 and name HA ))
)
5.000 5.000 0.000 peak 8358 weight 0.10000E+01 volume 0.31300E+00 ppm1 3.419 ppm2 4.558
ASSI (
(( segid " " and resid 52 and name HA2 ))
)(
(( segid " " and resid 51 and name HB2 ))
)
5.000 5.000 0.000 peak 4983 weight 0.10000E+01 volume 0.34600E+00 ppm1 3.420 ppm2 2.544
ASSI (
(( segid " " and resid 53 and name HA ))
)(
(( segid " " and resid 53 and name HG2 ))
)
5.000 5.000 0.000 peak 8362 weight 0.10000E+01 volume 0.40100E+00 ppm1 4.487 ppm2 2.097
ASSI (
(( segid " " and resid 54 and name HZ2 ))
)(
(( segid " " and resid 23 and name HB2 ))
)
5.000 5.000 0.000 peak 3371 weight 0.10000E+01 volume 0.41100E+00 ppm1 6.941 ppm2 2.751
ASSI (
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
)(
(( segid " " and resid 56 and name HA ))
OR
(( segid " " and resid 54 and name HA ))
)
5.000 5.000 0.000 peak 8375 weight 0.10000E+01 volume 0.79900E+00 ppm1 0.958 ppm2 4.982
ASSI (
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)(
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
OR
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)
5.000 5.000 0.000 peak 7740 weight 0.10000E+01 volume 0.37400E+00 ppm1 6.812 ppm2 0.032
ASSI (
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
)(
(( segid " " and resid 10 and name HE2 ))
OR
(( segid " " and resid 10 and name HE1 ))
)
5.000 5.000 0.000 peak 7488 weight 0.10000E+01 volume 0.37200E+00 ppm1 6.649 ppm2 6.273
ASSI (
(( segid " " and resid 58 and name HA ))
)(
(( segid " " and resid 10 and name HZ ))
)
6.000 6.000 0.000 peak 8431 weight 0.10000E+01 volume 0.26500E+00 ppm1 3.570 ppm2 7.000
ASSI (
(( segid " " and resid 58 and name HG23))
OR
(( segid " " and resid 58 and name HG22))
OR
(( segid " " and resid 58 and name HG21))
)(
(( segid " " and resid 59 and name HZ ))
OR
(( segid " " and resid 10 and name HE2 ))
OR
(( segid " " and resid 10 and name HE1 ))
)
5.000 5.000 0.000 peak 8443 weight 0.10000E+01 volume 0.34500E+00 ppm1 0.524 ppm2 6.303
ASSI (
(( segid " " and resid 58 and name HG23))
OR
(( segid " " and resid 58 and name HG22))
OR
(( segid " " and resid 58 and name HG21))
)(
(( segid " " and resid 10 and name HZ ))
)
5.000 5.000 0.000 peak 8440 weight 0.10000E+01 volume 0.47600E+00 ppm1 0.526 ppm2 7.006
ASSI (
(( segid " " and resid 59 and name HD2 ))
OR
(( segid " " and resid 59 and name HD1 ))
)(
(( segid " " and resid 10 and name HB2 ))
)
6.000 6.000 0.000 peak 8445 weight 0.10000E+01 volume 0.18000E+00 ppm1 7.734 ppm2 2.131
ASSI (
(( segid " " and resid 61 and name HA ))
)(
(( segid " " and resid 62 and name HN ))
)
3.300 3.300 0.000 peak 4998 weight 0.10000E+01 volume 0.15070E+01 ppm1 4.467 ppm2 8.387
ASSI (
(( segid " " and resid 61 and name HA ))
)(
(( segid " " and resid 58 and name HG23))
OR
(( segid " " and resid 58 and name HG22))
OR
(( segid " " and resid 58 and name HG21))
OR
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 4986 weight 0.10000E+01 volume 0.93300E+00 ppm1 4.470 ppm2 0.524
ASSI (
(( segid " " and resid 61 and name HB ))
)(
(( segid " " and resid 62 and name HN ))
OR
(( segid " " and resid 40 and name HN ))
OR
(( segid " " and resid 39 and name HN ))
)
5.000 5.000 0.000 peak 8451 weight 0.10000E+01 volume 0.71700E+00 ppm1 1.717 ppm2 8.382
ASSI (
(( segid " " and resid 61 and name HB ))
)(
(( segid " " and resid 58 and name HG23))
OR
(( segid " " and resid 58 and name HG22))
OR
(( segid " " and resid 58 and name HG21))
OR
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 8457 weight 0.10000E+01 volume 0.49100E+00 ppm1 1.719 ppm2 0.549
ASSI (
(( segid " " and resid 61 and name HG11))
)(
(( segid " " and resid 61 and name HD13))
OR
(( segid " " and resid 61 and name HD12))
OR
(( segid " " and resid 61 and name HD11))
OR
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)
2.700 2.700 0.000 peak 8461 weight 0.10000E+01 volume 0.34560E+01 ppm1 1.229 ppm2 0.702
ASSI (
(( segid " " and resid 61 and name HG11))
)(
(( segid " " and resid 58 and name HG23))
OR
(( segid " " and resid 58 and name HG22))
OR
(( segid " " and resid 58 and name HG21))
OR
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
3.300 3.300 0.000 peak 8462 weight 0.10000E+01 volume 0.17290E+01 ppm1 1.230 ppm2 0.545
ASSI (
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)(
(( segid " " and resid 62 and name HN ))
OR
(( segid " " and resid 40 and name HN ))
OR
(( segid " " and resid 39 and name HN ))
)
3.300 3.300 0.000 peak 8469 weight 0.10000E+01 volume 0.17350E+01 ppm1 0.715 ppm2 8.385
ASSI (
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)(
(( segid " " and resid 62 and name HD2 ))
OR
(( segid " " and resid 62 and name HD1 ))
OR
(( segid " " and resid 60 and name HN ))
)
6.000 6.000 0.000 peak 8471 weight 0.10000E+01 volume 0.24900E+00 ppm1 0.716 ppm2 6.550
ASSI (
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)(
(( segid " " and resid 37 and name HE2 ))
OR
(( segid " " and resid 37 and name HE1 ))
OR
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)
5.000 5.000 0.000 peak 8470 weight 0.10000E+01 volume 0.52300E+00 ppm1 0.716 ppm2 6.694
ASSI (
(( segid " " and resid 62 and name HA ))
)(
(( segid " " and resid 84 and name HD1 ))
OR
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
OR
(( segid " " and resid 37 and name HE2 ))
OR
(( segid " " and resid 37 and name HE1 ))
OR
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)
5.000 5.000 0.000 peak 8152 weight 0.10000E+01 volume 0.60800E+00 ppm1 3.922 ppm2 6.695
ASSI (
(( segid " " and resid 62 and name HA ))
)(
(( segid " " and resid 62 and name HN ))
)
5.000 5.000 0.000 peak 8476 weight 0.10000E+01 volume 0.40000E+00 ppm1 3.920 ppm2 8.383
ASSI (
(( segid " " and resid 62 and name HB1 ))
)(
(( segid " " and resid 62 and name HN ))
)
3.300 3.300 0.000 peak 8480 weight 0.10000E+01 volume 0.19300E+01 ppm1 2.767 ppm2 8.385
ASSI (
(( segid " " and resid 62 and name HB2 ))
)(
(( segid " " and resid 62 and name HN ))
)
5.000 5.000 0.000 peak 6416 weight 0.10000E+01 volume 0.12170E+01 ppm1 2.536 ppm2 8.384
ASSI (
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)(
(( segid " " and resid 62 and name HA ))
)
5.000 5.000 0.000 peak 8498 weight 0.10000E+01 volume 0.48400E+00 ppm1 6.688 ppm2 3.937
ASSI (
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)(
(( segid " " and resid 81 and name HA ))
OR
(( segid " " and resid 64 and name HA ))
OR
(( segid " " and resid 61 and name HA ))
)
5.000 5.000 0.000 peak 8497 weight 0.10000E+01 volume 0.42200E+00 ppm1 6.688 ppm2 4.491
ASSI (
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)(
(( segid " " and resid 84 and name HN ))
OR
(( segid " " and resid 37 and name HN ))
)
5.000 5.000 0.000 peak 8492 weight 0.10000E+01 volume 0.42400E+00 ppm1 6.689 ppm2 8.146
ASSI (
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)(
(( segid " " and resid 35 and name HD2 ))
OR
(( segid " " and resid 10 and name HA ))
)
5.000 5.000 0.000 peak 8499 weight 0.10000E+01 volume 0.66700E+00 ppm1 6.690 ppm2 3.547
ASSI (
(( segid " " and resid 63 and name HB1 ))
)(
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)
5.000 5.000 0.000 peak 5380 weight 0.10000E+01 volume 0.65300E+00 ppm1 1.419 ppm2 0.440
ASSI (
(( segid " " and resid 63 and name HB2 ))
)(
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)
5.000 5.000 0.000 peak 5379 weight 0.10000E+01 volume 0.50600E+00 ppm1 1.245 ppm2 0.441
ASSI (
(( segid " " and resid 63 and name HD1 ))
)(
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
OR
(( segid " " and resid 61 and name HD13))
OR
(( segid " " and resid 61 and name HD12))
OR
(( segid " " and resid 61 and name HD11))
OR
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)
6.000 6.000 0.000 peak 8532 weight 0.10000E+01 volume 0.22600E+00 ppm1 1.465 ppm2 0.718
ASSI (
(( segid " " and resid 63 and name HE1 ))
)(
(( segid " " and resid 63 and name HD1 ))
)
2.700 2.700 0.000 peak 5580 weight 0.10000E+01 volume 0.40190E+01 ppm1 2.717 ppm2 1.482
ASSI (
(( segid " " and resid 63 and name HE2 ))
)(
(( segid " " and resid 63 and name HD1 ))
)
2.700 2.700 0.000 peak 5582 weight 0.10000E+01 volume 0.30500E+01 ppm1 2.662 ppm2 1.482
ASSI (
(( segid " " and resid 63 and name HE2 ))
)(
(( segid " " and resid 39 and name HA ))
)
5.000 5.000 0.000 peak 8538 weight 0.10000E+01 volume 0.10030E+01 ppm1 2.664 ppm2 4.630
ASSI (
(( segid " " and resid 63 and name HG1 ))
)(
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 5637 weight 0.10000E+01 volume 0.13450E+01 ppm1 1.149 ppm2 0.541
ASSI (
(( segid " " and resid 64 and name HD2 ))
OR
(( segid " " and resid 64 and name HD1 ))
)(
(( segid " " and resid 62 and name HA ))
)
5.000 5.000 0.000 peak 5650 weight 0.10000E+01 volume 0.63900E+00 ppm1 3.100 ppm2 3.898
ASSI (
(( segid " " and resid 64 and name HD2 ))
OR
(( segid " " and resid 64 and name HD1 ))
)(
(( segid " " and resid 83 and name HA ))
OR
(( segid " " and resid 66 and name HA ))
)
5.000 5.000 0.000 peak 8554 weight 0.10000E+01 volume 0.34700E+00 ppm1 3.098 ppm2 4.255
ASSI (
(( segid " " and resid 65 and name HA ))
)(
(( segid " " and resid 66 and name HB2 ))
)
5.000 5.000 0.000 peak 5002 weight 0.10000E+01 volume 0.97300E+00 ppm1 4.100 ppm2 1.768
ASSI (
(( segid " " and resid 65 and name HA ))
)(
(( segid " " and resid 113 and name HB ))
OR
(( segid " " and resid 66 and name HB1 ))
)
5.000 5.000 0.000 peak 8560 weight 0.10000E+01 volume 0.60200E+00 ppm1 4.102 ppm2 1.906
ASSI (
(( segid " " and resid 67 and name HA ))
)(
(( segid " " and resid 68 and name HG1 ))
)
5.000 5.000 0.000 peak 8601 weight 0.10000E+01 volume 0.31600E+00 ppm1 4.262 ppm2 1.521
ASSI (
(( segid " " and resid 67 and name HA ))
)(
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
OR
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)
5.000 5.000 0.000 peak 8597 weight 0.10000E+01 volume 0.35500E+00 ppm1 4.265 ppm2 0.499
ASSI (
(( segid " " and resid 67 and name HD2 ))
)(
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
OR
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)
6.000 6.000 0.000 peak 7586 weight 0.10000E+01 volume 0.29600E+00 ppm1 7.173 ppm2 0.669
ASSI (
(( segid " " and resid 68 and name HA ))
)(
(( segid " " and resid 66 and name HB1 ))
)
6.000 6.000 0.000 peak 8606 weight 0.10000E+01 volume 0.28200E+00 ppm1 4.308 ppm2 1.891
ASSI (
(( segid " " and resid 68 and name HA ))
)(
(( segid " " and resid 68 and name HG2 ))
)
5.000 5.000 0.000 peak 8610 weight 0.10000E+01 volume 0.70100E+00 ppm1 4.309 ppm2 1.042
ASSI (
(( segid " " and resid 68 and name HB1 ))
)(
(( segid " " and resid 68 and name HG2 ))
)
5.000 5.000 0.000 peak 5386 weight 0.10000E+01 volume 0.95200E+00 ppm1 1.653 ppm2 1.050
ASSI (
(( segid " " and resid 68 and name HB2 ))
)(
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)
5.000 5.000 0.000 peak 5388 weight 0.10000E+01 volume 0.42300E+00 ppm1 1.316 ppm2 0.517
ASSI (
(( segid " " and resid 68 and name HB2 ))
)(
(( segid " " and resid 68 and name HG2 ))
)
5.000 5.000 0.000 peak 5387 weight 0.10000E+01 volume 0.98300E+00 ppm1 1.317 ppm2 1.039
ASSI (
(( segid " " and resid 68 and name HG1 ))
)(
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
OR
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)
5.000 5.000 0.000 peak 8630 weight 0.10000E+01 volume 0.12020E+01 ppm1 1.497 ppm2 0.642
ASSI (
(( segid " " and resid 68 and name HG1 ))
)(
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
OR
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)
5.000 5.000 0.000 peak 5655 weight 0.10000E+01 volume 0.14990E+01 ppm1 1.496 ppm2 0.503
ASSI (
(( segid " " and resid 69 and name HA1 ))
)(
(( segid " " and resid 70 and name HB2 ))
OR
(( segid " " and resid 70 and name HB1 ))
)
5.000 5.000 0.000 peak 5035 weight 0.10000E+01 volume 0.36100E+00 ppm1 4.225 ppm2 1.779
ASSI (
(( segid " " and resid 69 and name HA1 ))
)(
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)
5.000 5.000 0.000 peak 5036 weight 0.10000E+01 volume 0.35100E+00 ppm1 4.231 ppm2 0.545
ASSI (
(( segid " " and resid 69 and name HA2 ))
)(
(( segid " " and resid 118 and name HG2 ))
OR
(( segid " " and resid 70 and name HB2 ))
OR
(( segid " " and resid 70 and name HB1 ))
)
6.000 6.000 0.000 peak 8649 weight 0.10000E+01 volume 0.29200E+00 ppm1 3.729 ppm2 1.782
ASSI (
(( segid " " and resid 70 and name HA ))
)(
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
OR
(( segid " " and resid 71 and name HG ))
)
5.000 5.000 0.000 peak 5037 weight 0.10000E+01 volume 0.94300E+00 ppm1 4.122 ppm2 1.004
ASSI (
(( segid " " and resid 70 and name HB1 ))
)(
(( segid " " and resid 70 and name HN ))
)
2.700 2.700 0.000 peak 8657 weight 0.10000E+01 volume 0.38320E+01 ppm1 1.816 ppm2 7.730
ASSI (
(( segid " " and resid 70 and name HB2 ))
)(
(( segid " " and resid 70 and name HN ))
)
2.700 2.700 0.000 peak 8658 weight 0.10000E+01 volume 0.37260E+01 ppm1 1.753 ppm2 7.729
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 75 and name HA ))
)
6.000 6.000 0.000 peak 8692 weight 0.10000E+01 volume 0.23100E+00 ppm1 0.588 ppm2 4.732
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 90 and name HZ ))
OR
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
OR
(( segid " " and resid 73 and name HD22))
)
5.000 5.000 0.000 peak 8691 weight 0.10000E+01 volume 0.35600E+00 ppm1 0.588 ppm2 6.698
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 90 and name HN ))
OR
(( segid " " and resid 76 and name HN ))
)
5.000 5.000 0.000 peak 8686 weight 0.10000E+01 volume 0.42400E+00 ppm1 0.588 ppm2 8.372
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 121 and name HB2 ))
OR
(( segid " " and resid 75 and name HB2 ))
OR
(( segid " " and resid 70 and name HB2 ))
OR
(( segid " " and resid 70 and name HB1 ))
)
6.000 6.000 0.000 peak 8714 weight 0.10000E+01 volume 0.21700E+00 ppm1 0.475 ppm2 1.764
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 119 and name HG ))
OR
(( segid " " and resid 98 and name HB2 ))
)
5.000 5.000 0.000 peak 8716 weight 0.10000E+01 volume 0.52400E+00 ppm1 0.476 ppm2 1.387
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 74 and name HA2 ))
OR
(( segid " " and resid 70 and name HA ))
)
5.000 5.000 0.000 peak 5674 weight 0.10000E+01 volume 0.39600E+00 ppm1 0.476 ppm2 4.129
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 118 and name HA ))
OR
(( segid " " and resid 98 and name HA ))
)
5.000 5.000 0.000 peak 5675 weight 0.10000E+01 volume 0.55600E+00 ppm1 0.476 ppm2 4.582
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 122 and name HB1 ))
OR
(( segid " " and resid 90 and name HB1 ))
)
5.000 5.000 0.000 peak 5673 weight 0.10000E+01 volume 0.42600E+00 ppm1 0.477 ppm2 2.773
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 93 and name HN ))
OR
(( segid " " and resid 73 and name HN ))
)
5.000 5.000 0.000 peak 8703 weight 0.10000E+01 volume 0.31500E+00 ppm1 0.477 ppm2 8.898
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 122 and name HA ))
OR
(( segid " " and resid 92 and name HA ))
)
6.000 6.000 0.000 peak 8709 weight 0.10000E+01 volume 0.14700E+00 ppm1 0.478 ppm2 5.276
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
OR
(( segid " " and resid 90 and name HZ ))
OR
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
OR
(( segid " " and resid 73 and name HD22))
)
5.000 5.000 0.000 peak 8708 weight 0.10000E+01 volume 0.34600E+00 ppm1 0.478 ppm2 6.699
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 122 and name HN ))
OR
(( segid " " and resid 75 and name HN ))
)
5.000 5.000 0.000 peak 6925 weight 0.10000E+01 volume 0.13550E+01 ppm1 0.476 ppm2 8.805
ASSI (
(( segid " " and resid 72 and name HA ))
)(
(( segid " " and resid 73 and name HN ))
)
2.700 2.700 0.000 peak 6102 weight 0.10000E+01 volume 0.39800E+01 ppm1 3.817 ppm2 8.854
ASSI (
(( segid " " and resid 72 and name HA ))
)(
(( segid " " and resid 75 and name HB2 ))
OR
(( segid " " and resid 70 and name HB2 ))
OR
(( segid " " and resid 70 and name HB1 ))
)
6.000 6.000 0.000 peak 8723 weight 0.10000E+01 volume 0.19600E+00 ppm1 3.817 ppm2 1.810
ASSI (
(( segid " " and resid 72 and name HA ))
)(
(( segid " " and resid 120 and name HD2 ))
OR
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 70 and name HG2 ))
)
6.000 6.000 0.000 peak 8722 weight 0.10000E+01 volume 0.15800E+00 ppm1 3.817 ppm2 2.048
ASSI (
(( segid " " and resid 73 and name HA ))
)(
(( segid " " and resid 72 and name HG1 ))
OR
(( segid " " and resid 72 and name HB2 ))
OR
(( segid " " and resid 71 and name HB1 ))
)
6.000 6.000 0.000 peak 5039 weight 0.10000E+01 volume 0.27600E+00 ppm1 3.785 ppm2 1.536
ASSI (
(( segid " " and resid 73 and name HB1 ))
)(
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)
6.000 6.000 0.000 peak 8754 weight 0.10000E+01 volume 0.25000E+00 ppm1 2.119 ppm2 7.141
ASSI (
(( segid " " and resid 73 and name HB2 ))
)(
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)
5.000 5.000 0.000 peak 8755 weight 0.10000E+01 volume 0.31600E+00 ppm1 0.959 ppm2 7.134
ASSI (
(( segid " " and resid 74 and name HA2 ))
)(
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
OR
(( segid " " and resid 73 and name HB2 ))
OR
(( segid " " and resid 71 and name HG ))
)
5.000 5.000 0.000 peak 5044 weight 0.10000E+01 volume 0.37400E+00 ppm1 4.102 ppm2 1.011
ASSI (
(( segid " " and resid 75 and name HA ))
)(
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
OR
(( segid " " and resid 71 and name HG ))
)
6.000 6.000 0.000 peak 8787 weight 0.10000E+01 volume 0.15100E+00 ppm1 4.727 ppm2 1.011
ASSI (
(( segid " " and resid 76 and name HB ))
)(
(( segid " " and resid 76 and name HA ))
)
5.000 5.000 0.000 peak 8803 weight 0.10000E+01 volume 0.14330E+01 ppm1 2.001 ppm2 4.314
ASSI (
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
)(
(( segid " " and resid 76 and name HA ))
OR
(( segid " " and resid 74 and name HA1 ))
OR
(( segid " " and resid 71 and name HA ))
)
2.700 2.700 0.000 peak 8812 weight 0.10000E+01 volume 0.33390E+01 ppm1 0.982 ppm2 4.314
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)(
(( segid " " and resid 77 and name HA ))
)
6.000 6.000 0.000 peak 8820 weight 0.10000E+01 volume 0.28300E+00 ppm1 0.489 ppm2 4.437
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)(
(( segid " " and resid 76 and name HA ))
OR
(( segid " " and resid 71 and name HA ))
)
3.300 3.300 0.000 peak 8821 weight 0.10000E+01 volume 0.20860E+01 ppm1 0.490 ppm2 4.319
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)(
(( segid " " and resid 119 and name HN ))
OR
(( segid " " and resid 89 and name HN ))
OR
(( segid " " and resid 79 and name HN ))
)
5.000 5.000 0.000 peak 8813 weight 0.10000E+01 volume 0.41800E+00 ppm1 0.490 ppm2 7.819
ASSI (
(( segid " " and resid 77 and name HA ))
)(
(( segid " " and resid 78 and name HN ))
)
2.700 2.700 0.000 peak 5965 weight 0.10000E+01 volume 0.38390E+01 ppm1 4.412 ppm2 8.493
ASSI (
(( segid " " and resid 78 and name HA ))
)(
(( segid " " and resid 88 and name HA ))
OR
(( segid " " and resid 82 and name HA ))
)
5.000 5.000 0.000 peak 8843 weight 0.10000E+01 volume 0.35700E+00 ppm1 4.042 ppm2 4.704
ASSI (
(( segid " " and resid 78 and name HA ))
)(
(( segid " " and resid 89 and name HB1 ))
OR
(( segid " " and resid 87 and name HB2 ))
OR
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)
5.000 5.000 0.000 peak 8844 weight 0.10000E+01 volume 0.84800E+00 ppm1 4.043 ppm2 1.904
ASSI (
(( segid " " and resid 78 and name HB ))
)(
(( segid " " and resid 81 and name HA ))
OR
(( segid " " and resid 80 and name HA ))
OR
(( segid " " and resid 77 and name HA ))
)
5.000 5.000 0.000 peak 5407 weight 0.10000E+01 volume 0.65000E+00 ppm1 1.786 ppm2 4.434
ASSI (
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
)(
(( segid " " and resid 68 and name HD2 ))
)
6.000 6.000 0.000 peak 8872 weight 0.10000E+01 volume 0.29900E+00 ppm1 0.656 ppm2 2.465
ASSI (
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
)(
(( segid " " and resid 68 and name HD1 ))
)
6.000 6.000 0.000 peak 8871 weight 0.10000E+01 volume 0.26100E+00 ppm1 0.656 ppm2 3.207
ASSI (
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
)(
(( segid " " and resid 115 and name HE1 ))
)
5.000 5.000 0.000 peak 8862 weight 0.10000E+01 volume 0.32100E+00 ppm1 0.657 ppm2 10.496
ASSI (
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
)(
(( segid " " and resid 115 and name HZ2 ))
OR
(( segid " " and resid 67 and name HD2 ))
)
3.300 3.300 0.000 peak 8865 weight 0.10000E+01 volume 0.21140E+01 ppm1 0.657 ppm2 7.185
ASSI (
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
)(
(( segid " " and resid 80 and name HB ))
OR
(( segid " " and resid 76 and name HA ))
OR
(( segid " " and resid 68 and name HA ))
OR
(( segid " " and resid 67 and name HA ))
OR
(( segid " " and resid 66 and name HA ))
)
5.000 5.000 0.000 peak 8869 weight 0.10000E+01 volume 0.96100E+00 ppm1 0.658 ppm2 4.299
ASSI (
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
)(
(( segid " " and resid 81 and name HA ))
OR
(( segid " " and resid 80 and name HA ))
OR
(( segid " " and resid 77 and name HA ))
)
5.000 5.000 0.000 peak 8868 weight 0.10000E+01 volume 0.90300E+00 ppm1 0.658 ppm2 4.446
ASSI (
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 88 and name HG12))
)
6.000 6.000 0.000 peak 8857 weight 0.10000E+01 volume 0.18000E+00 ppm1 1.380 ppm2 0.242
ASSI (
(( segid " " and resid 79 and name HA ))
)(
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
OR
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)
6.000 6.000 0.000 peak 5052 weight 0.10000E+01 volume 0.13500E+00 ppm1 4.221 ppm2 0.694
ASSI (
(( segid " " and resid 79 and name HA ))
)(
(( segid " " and resid 79 and name HG1 ))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
5.000 5.000 0.000 peak 8880 weight 0.10000E+01 volume 0.11370E+01 ppm1 4.221 ppm2 1.389
ASSI (
(( segid " " and resid 79 and name HA ))
)(
(( segid " " and resid 79 and name HE2 ))
OR
(( segid " " and resid 79 and name HE1 ))
)
6.000 6.000 0.000 peak 8876 weight 0.10000E+01 volume 0.12700E+00 ppm1 4.222 ppm2 2.837
ASSI (
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)(
(( segid " " and resid 79 and name HE2 ))
OR
(( segid " " and resid 79 and name HE1 ))
)
5.000 5.000 0.000 peak 8884 weight 0.10000E+01 volume 0.72200E+00 ppm1 1.894 ppm2 2.829
ASSI (
(( segid " " and resid 79 and name HD2 ))
OR
(( segid " " and resid 79 and name HD1 ))
)(
(( segid " " and resid 77 and name HG1 ))
)
3.300 3.300 0.000 peak 8903 weight 0.10000E+01 volume 0.16480E+01 ppm1 1.544 ppm2 2.090
ASSI (
(( segid " " and resid 79 and name HD2 ))
OR
(( segid " " and resid 79 and name HD1 ))
)(
(( segid " " and resid 88 and name HA ))
)
6.000 6.000 0.000 peak 8897 weight 0.10000E+01 volume 0.19000E+00 ppm1 1.545 ppm2 4.719
ASSI (
(( segid " " and resid 79 and name HD2 ))
)(
(( segid " " and resid 82 and name HA ))
)
6.000 6.000 0.000 peak 8898 weight 0.10000E+01 volume 0.27000E+00 ppm1 1.546 ppm2 4.627
ASSI (
(( segid " " and resid 79 and name HE1 ))
)(
(( segid " " and resid 79 and name HG2 ))
)
3.300 3.300 0.000 peak 8914 weight 0.10000E+01 volume 0.15710E+01 ppm1 2.852 ppm2 1.304
ASSI (
(( segid " " and resid 79 and name HE1 ))
)(
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)
5.000 5.000 0.000 peak 8905 weight 0.10000E+01 volume 0.12050E+01 ppm1 2.856 ppm2 1.863
ASSI (
(( segid " " and resid 79 and name HE1 ))
)(
(( segid " " and resid 77 and name HG2 ))
)
5.000 5.000 0.000 peak 8904 weight 0.10000E+01 volume 0.11890E+01 ppm1 2.856 ppm2 1.950
ASSI (
(( segid " " and resid 79 and name HE2 ))
)(
(( segid " " and resid 81 and name HA ))
OR
(( segid " " and resid 80 and name HA ))
OR
(( segid " " and resid 77 and name HA ))
)
6.000 6.000 0.000 peak 5694 weight 0.10000E+01 volume 0.15000E+00 ppm1 2.783 ppm2 4.472
ASSI (
(( segid " " and resid 79 and name HE2 ))
)(
(( segid " " and resid 77 and name HG2 ))
)
5.000 5.000 0.000 peak 8907 weight 0.10000E+01 volume 0.10010E+01 ppm1 2.789 ppm2 1.949
ASSI (
(( segid " " and resid 79 and name HE2 ))
)(
(( segid " " and resid 79 and name HG2 ))
)
3.300 3.300 0.000 peak 8913 weight 0.10000E+01 volume 0.19260E+01 ppm1 2.790 ppm2 1.304
ASSI (
(( segid " " and resid 79 and name HE2 ))
)(
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)
5.000 5.000 0.000 peak 8906 weight 0.10000E+01 volume 0.99100E+00 ppm1 2.790 ppm2 1.864
ASSI (
(( segid " " and resid 79 and name HG1 ))
)(
(( segid " " and resid 80 and name HG23))
OR
(( segid " " and resid 80 and name HG22))
OR
(( segid " " and resid 80 and name HG21))
)
5.000 5.000 0.000 peak 8895 weight 0.10000E+01 volume 0.96500E+00 ppm1 1.398 ppm2 1.154
ASSI (
(( segid " " and resid 79 and name HG2 ))
)(
(( segid " " and resid 80 and name HG23))
OR
(( segid " " and resid 80 and name HG22))
OR
(( segid " " and resid 80 and name HG21))
)
3.300 3.300 0.000 peak 8896 weight 0.10000E+01 volume 0.15770E+01 ppm1 1.324 ppm2 1.155
ASSI (
(( segid " " and resid 80 and name HG23))
OR
(( segid " " and resid 80 and name HG22))
OR
(( segid " " and resid 80 and name HG21))
)(
(( segid " " and resid 82 and name HA ))
)
5.000 5.000 0.000 peak 8923 weight 0.10000E+01 volume 0.78200E+00 ppm1 1.114 ppm2 4.630
ASSI (
(( segid " " and resid 81 and name HB1 ))
)(
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
OR
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)
6.000 6.000 0.000 peak 9283 weight 0.10000E+01 volume 0.27600E+00 ppm1 3.005 ppm2 0.688
ASSI (
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)(
(( segid " " and resid 115 and name HH2 ))
)
6.000 6.000 0.000 peak 8951 weight 0.10000E+01 volume 0.25600E+00 ppm1 0.969 ppm2 6.785
ASSI (
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)(
(( segid " " and resid 64 and name HE ))
)
6.000 6.000 0.000 peak 8866 weight 0.10000E+01 volume 0.26400E+00 ppm1 0.970 ppm2 7.035
ASSI (
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)(
(( segid " " and resid 83 and name HA ))
OR
(( segid " " and resid 79 and name HA ))
OR
(( segid " " and resid 67 and name HA ))
OR
(( segid " " and resid 66 and name HA ))
)
3.300 3.300 0.000 peak 8572 weight 0.10000E+01 volume 0.21780E+01 ppm1 0.968 ppm2 4.253
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 85 and name HN ))
OR
(( segid " " and resid 78 and name HN ))
OR
(( segid " " and resid 65 and name HN ))
)
6.000 6.000 0.000 peak 8959 weight 0.10000E+01 volume 0.13100E+00 ppm1 0.873 ppm2 8.535
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 78 and name HA ))
OR
(( segid " " and resid 65 and name HA ))
)
5.000 5.000 0.000 peak 8966 weight 0.10000E+01 volume 0.31100E+00 ppm1 0.874 ppm2 4.063
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 106 and name HN ))
OR
(( segid " " and resid 86 and name HN ))
OR
(( segid " " and resid 66 and name HN ))
)
6.000 6.000 0.000 peak 8960 weight 0.10000E+01 volume 0.16400E+00 ppm1 0.874 ppm2 8.341
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 65 and name HB2 ))
)
6.000 6.000 0.000 peak 8971 weight 0.10000E+01 volume 0.20400E+00 ppm1 0.876 ppm2 2.325
ASSI (
(( segid " " and resid 83 and name HA ))
)(
(( segid " " and resid 84 and name HB1 ))
OR
(( segid " " and resid 81 and name HB2 ))
OR
(( segid " " and resid 62 and name HB1 ))
)
5.000 5.000 0.000 peak 5057 weight 0.10000E+01 volume 0.33400E+00 ppm1 4.240 ppm2 2.769
ASSI (
(( segid " " and resid 83 and name HA ))
)(
(( segid " " and resid 84 and name HB2 ))
OR
(( segid " " and resid 62 and name HB2 ))
)
6.000 6.000 0.000 peak 5058 weight 0.10000E+01 volume 0.23000E+00 ppm1 4.242 ppm2 2.513
ASSI (
(( segid " " and resid 83 and name HB2 ))
OR
(( segid " " and resid 83 and name HB1 ))
)(
(( segid " " and resid 84 and name HB1 ))
OR
(( segid " " and resid 81 and name HB2 ))
OR
(( segid " " and resid 62 and name HB1 ))
)
5.000 5.000 0.000 peak 5416 weight 0.10000E+01 volume 0.44800E+00 ppm1 3.732 ppm2 2.770
ASSI (
(( segid " " and resid 83 and name HB2 ))
OR
(( segid " " and resid 83 and name HB1 ))
)(
(( segid " " and resid 64 and name HB2 ))
OR
(( segid " " and resid 63 and name HB1 ))
)
5.000 5.000 0.000 peak 5418 weight 0.10000E+01 volume 0.31800E+00 ppm1 3.734 ppm2 1.434
ASSI (
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)(
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)
5.000 5.000 0.000 peak 9208 weight 0.10000E+01 volume 0.70100E+00 ppm1 6.707 ppm2 0.688
ASSI (
(( segid " " and resid 84 and name HE2 ))
OR
(( segid " " and resid 84 and name HE1 ))
)(
(( segid " " and resid 108 and name HN ))
OR
(( segid " " and resid 106 and name HN ))
OR
(( segid " " and resid 86 and name HN ))
OR
(( segid " " and resid 39 and name HN ))
)
5.000 5.000 0.000 peak 7235 weight 0.10000E+01 volume 0.30900E+00 ppm1 7.345 ppm2 8.365
ASSI (
(( segid " " and resid 87 and name HA ))
)(
(( segid " " and resid 106 and name HN ))
OR
(( segid " " and resid 86 and name HN ))
)
5.000 5.000 0.000 peak 9007 weight 0.10000E+01 volume 0.13100E+01 ppm1 5.551 ppm2 8.373
ASSI (
(( segid " " and resid 87 and name HA ))
)(
(( segid " " and resid 105 and name HG1 ))
)
5.000 5.000 0.000 peak 5068 weight 0.10000E+01 volume 0.70200E+00 ppm1 5.555 ppm2 1.390
ASSI (
(( segid " " and resid 87 and name HA ))
)(
(( segid " " and resid 106 and name HB2 ))
OR
(( segid " " and resid 105 and name HB2 ))
OR
(( segid " " and resid 105 and name HB1 ))
OR
(( segid " " and resid 89 and name HB2 ))
OR
(( segid " " and resid 82 and name HG ))
OR
(( segid " " and resid 82 and name HB2 ))
)
5.000 5.000 0.000 peak 5067 weight 0.10000E+01 volume 0.77800E+00 ppm1 5.555 ppm2 1.662
ASSI (
(( segid " " and resid 87 and name HG1 ))
)(
(( segid " " and resid 103 and name HB ))
OR
(( segid " " and resid 86 and name HB2 ))
OR
(( segid " " and resid 86 and name HB1 ))
)
5.000 5.000 0.000 peak 9028 weight 0.10000E+01 volume 0.13270E+01 ppm1 2.215 ppm2 3.998
ASSI (
(( segid " " and resid 87 and name HG2 ))
)(
(( segid " " and resid 103 and name HB ))
OR
(( segid " " and resid 86 and name HB2 ))
OR
(( segid " " and resid 86 and name HB1 ))
)
5.000 5.000 0.000 peak 9029 weight 0.10000E+01 volume 0.89800E+00 ppm1 2.154 ppm2 3.997
ASSI (
(( segid " " and resid 88 and name HB ))
)(
(( segid " " and resid 88 and name HG12))
)
6.000 6.000 0.000 peak 5428 weight 0.10000E+01 volume 0.28900E+00 ppm1 1.159 ppm2 0.259
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 115 and name HE3 ))
)
6.000 6.000 0.000 peak 9063 weight 0.10000E+01 volume 0.16700E+00 ppm1 -0.620 ppm2 7.338
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 106 and name HN ))
OR
(( segid " " and resid 90 and name HN ))
OR
(( segid " " and resid 86 and name HN ))
OR
(( segid " " and resid 76 and name HN ))
OR
(( segid " " and resid 66 and name HN ))
)
6.000 6.000 0.000 peak 9060 weight 0.10000E+01 volume 0.96000E-01 ppm1 -0.621 ppm2 8.347
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 78 and name HA ))
)
6.000 6.000 0.000 peak 9073 weight 0.10000E+01 volume 0.10800E+00 ppm1 -0.622 ppm2 4.048
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 118 and name HA ))
OR
(( segid " " and resid 104 and name HA ))
)
6.000 6.000 0.000 peak 9072 weight 0.10000E+01 volume 0.10300E+00 ppm1 -0.622 ppm2 4.588
ASSI (
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)(
(( segid " " and resid 105 and name HG2 ))
OR
(( segid " " and resid 105 and name HG1 ))
OR
(( segid " " and resid 79 and name HG1 ))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
5.000 5.000 0.000 peak 5389 weight 0.10000E+01 volume 0.45600E+00 ppm1 0.483 ppm2 1.382
ASSI (
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)(
(( segid " " and resid 89 and name HB2 ))
OR
(( segid " " and resid 82 and name HG ))
OR
(( segid " " and resid 82 and name HB2 ))
OR
(( segid " " and resid 68 and name HB1 ))
)
5.000 5.000 0.000 peak 9055 weight 0.10000E+01 volume 0.53400E+00 ppm1 0.482 ppm2 1.672
ASSI (
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)(
(( segid " " and resid 89 and name HB1 ))
OR
(( segid " " and resid 87 and name HB1 ))
OR
(( segid " " and resid 82 and name HB1 ))
OR
(( segid " " and resid 77 and name HG2 ))
OR
(( segid " " and resid 76 and name HB ))
)
5.000 5.000 0.000 peak 9053 weight 0.10000E+01 volume 0.42900E+00 ppm1 0.482 ppm2 1.969
ASSI (
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)(
(( segid " " and resid 85 and name HN ))
OR
(( segid " " and resid 78 and name HN ))
OR
(( segid " " and resid 65 and name HN ))
)
6.000 6.000 0.000 peak 9047 weight 0.10000E+01 volume 0.25400E+00 ppm1 0.482 ppm2 8.524
ASSI (
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)(
(( segid " " and resid 80 and name HB ))
OR
(( segid " " and resid 76 and name HA ))
OR
(( segid " " and resid 68 and name HA ))
OR
(( segid " " and resid 67 and name HA ))
)
5.000 5.000 0.000 peak 9052 weight 0.10000E+01 volume 0.34300E+00 ppm1 0.483 ppm2 4.303
ASSI (
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)(
(( segid " " and resid 119 and name HA ))
OR
(( segid " " and resid 117 and name HB1 ))
OR
(( segid " " and resid 101 and name HB2 ))
)
6.000 6.000 0.000 peak 9112 weight 0.10000E+01 volume 0.15900E+00 ppm1 6.673 ppm2 3.369
ASSI (
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)(
(( segid " " and resid 118 and name HA ))
OR
(( segid " " and resid 104 and name HA ))
OR
(( segid " " and resid 102 and name HB ))
)
6.000 6.000 0.000 peak 9106 weight 0.10000E+01 volume 0.15000E+00 ppm1 6.675 ppm2 4.583
ASSI (
(( segid " " and resid 92 and name HA ))
)(
(( segid " " and resid 99 and name HG12))
OR
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
OR
(( segid " " and resid 71 and name HG ))
)
6.000 6.000 0.000 peak 5081 weight 0.10000E+01 volume 0.21800E+00 ppm1 5.255 ppm2 1.028
ASSI (
(( segid " " and resid 92 and name HA ))
)(
(( segid " " and resid 122 and name HN ))
OR
(( segid " " and resid 75 and name HN ))
)
5.000 5.000 0.000 peak 4077 weight 0.10000E+01 volume 0.85300E+00 ppm1 5.250 ppm2 8.778
ASSI (
(( segid " " and resid 92 and name HB2 ))
)(
(( segid " " and resid 96 and name HB1 ))
)
5.000 5.000 0.000 peak 5439 weight 0.10000E+01 volume 0.89100E+00 ppm1 2.419 ppm2 3.223
ASSI (
(( segid " " and resid 92 and name HB2 ))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
OR
(( segid " " and resid 73 and name HD22))
)
5.000 5.000 0.000 peak 9126 weight 0.10000E+01 volume 0.81500E+00 ppm1 2.422 ppm2 6.702
ASSI (
(( segid " " and resid 94 and name HG2 ))
OR
(( segid " " and resid 94 and name HG1 ))
)(
(( segid " " and resid 95 and name HA1 ))
OR
(( segid " " and resid 94 and name HA ))
)
5.000 5.000 0.000 peak 9167 weight 0.10000E+01 volume 0.93900E+00 ppm1 2.312 ppm2 4.163
ASSI (
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)(
(( segid " " and resid 123 and name HA ))
OR
(( segid " " and resid 97 and name HA ))
)
6.000 6.000 0.000 peak 9201 weight 0.10000E+01 volume 0.10700E+00 ppm1 6.703 ppm2 4.816
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 124 and name HB ))
OR
(( segid " " and resid 98 and name HB1 ))
)
5.000 5.000 0.000 peak 9218 weight 0.10000E+01 volume 0.85300E+00 ppm1 4.839 ppm2 1.530
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 98 and name HB2 ))
)
5.000 5.000 0.000 peak 9219 weight 0.10000E+01 volume 0.72200E+00 ppm1 4.841 ppm2 1.398
ASSI (
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)(
(( segid " " and resid 125 and name HD23))
OR
(( segid " " and resid 125 and name HD22))
OR
(( segid " " and resid 125 and name HD21))
OR
(( segid " " and resid 125 and name HD13))
OR
(( segid " " and resid 125 and name HD12))
OR
(( segid " " and resid 125 and name HD11))
OR
(( segid " " and resid 124 and name HG23))
OR
(( segid " " and resid 124 and name HG22))
OR
(( segid " " and resid 124 and name HG21))
OR
(( segid " " and resid 98 and name HD13))
)
5.000 5.000 0.000 peak 9230 weight 0.10000E+01 volume 0.12590E+01 ppm1 7.003 ppm2 0.642
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 122 and name HA ))
OR
(( segid " " and resid 92 and name HA ))
)
5.000 5.000 0.000 peak 9242 weight 0.10000E+01 volume 0.43500E+00 ppm1 0.636 ppm2 5.274
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 90 and name HZ ))
OR
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)
5.000 5.000 0.000 peak 9241 weight 0.10000E+01 volume 0.35200E+00 ppm1 0.636 ppm2 6.707
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 121 and name HB1 ))
OR
(( segid " " and resid 89 and name HB1 ))
OR
(( segid " " and resid 76 and name HB ))
)
5.000 5.000 0.000 peak 9245 weight 0.10000E+01 volume 0.70200E+00 ppm1 0.637 ppm2 1.953
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 120 and name HD2 ))
OR
(( segid " " and resid 76 and name HB ))
)
5.000 5.000 0.000 peak 5719 weight 0.10000E+01 volume 0.69400E+00 ppm1 0.637 ppm2 2.051
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 121 and name HG2 ))
OR
(( segid " " and resid 121 and name HG1 ))
OR
(( segid " " and resid 120 and name HD1 ))
)
5.000 5.000 0.000 peak 5720 weight 0.10000E+01 volume 0.62200E+00 ppm1 0.637 ppm2 2.187
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
OR
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
3.300 3.300 0.000 peak 9240 weight 0.10000E+01 volume 0.17350E+01 ppm1 0.637 ppm2 7.024
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 120 and name HD2 ))
)
5.000 5.000 0.000 peak 5724 weight 0.10000E+01 volume 0.97000E+00 ppm1 0.397 ppm2 2.000
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 121 and name HG2 ))
OR
(( segid " " and resid 121 and name HG1 ))
OR
(( segid " " and resid 120 and name HD1 ))
)
6.000 6.000 0.000 peak 9253 weight 0.10000E+01 volume 0.29100E+00 ppm1 0.399 ppm2 2.188
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 90 and name HB2 ))
)
6.000 6.000 0.000 peak 5725 weight 0.10000E+01 volume 0.24800E+00 ppm1 0.399 ppm2 2.559
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 102 and name HB ))
OR
(( segid " " and resid 101 and name HA ))
OR
(( segid " " and resid 100 and name HA1 ))
OR
(( segid " " and resid 91 and name HA ))
)
5.000 5.000 0.000 peak 9251 weight 0.10000E+01 volume 0.86000E+00 ppm1 0.399 ppm2 4.491
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 102 and name HB ))
OR
(( segid " " and resid 98 and name HA ))
)
5.000 5.000 0.000 peak 9250 weight 0.10000E+01 volume 0.12780E+01 ppm1 0.399 ppm2 4.581
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 102 and name HN ))
OR
(( segid " " and resid 101 and name HN ))
)
5.000 5.000 0.000 peak 9246 weight 0.10000E+01 volume 0.41800E+00 ppm1 0.399 ppm2 8.165
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 122 and name HB1 ))
OR
(( segid " " and resid 90 and name HB1 ))
)
6.000 6.000 0.000 peak 5726 weight 0.10000E+01 volume 0.24000E+00 ppm1 0.400 ppm2 2.797
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 100 and name HA2 ))
)
6.000 6.000 0.000 peak 5727 weight 0.10000E+01 volume 0.25900E+00 ppm1 0.400 ppm2 3.595
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 101 and name HB1 ))
OR
(( segid " " and resid 91 and name HB2 ))
OR
(( segid " " and resid 91 and name HB1 ))
)
6.000 6.000 0.000 peak 9252 weight 0.10000E+01 volume 0.21600E+00 ppm1 0.400 ppm2 3.803
ASSI (
(( segid " " and resid 98 and name HG ))
)(
(( segid " " and resid 122 and name HA ))
OR
(( segid " " and resid 92 and name HA ))
)
6.000 6.000 0.000 peak 9236 weight 0.10000E+01 volume 0.17600E+00 ppm1 1.089 ppm2 5.280
ASSI (
(( segid " " and resid 98 and name HG ))
)(
(( segid " " and resid 102 and name HB ))
OR
(( segid " " and resid 98 and name HA ))
)
3.300 3.300 0.000 peak 5718 weight 0.10000E+01 volume 0.16190E+01 ppm1 1.090 ppm2 4.563
ASSI (
(( segid " " and resid 99 and name HA ))
)(
(( segid " " and resid 99 and name HG11))
OR
(( segid " " and resid 98 and name HB2 ))
)
5.000 5.000 0.000 peak 9255 weight 0.10000E+01 volume 0.10170E+01 ppm1 4.215 ppm2 1.343
ASSI (
(( segid " " and resid 99 and name HA ))
)(
(( segid " " and resid 100 and name HN ))
)
2.700 2.700 0.000 peak 7124 weight 0.10000E+01 volume 0.42090E+01 ppm1 4.211 ppm2 8.430
ASSI (
(( segid " " and resid 99 and name HB ))
)(
(( segid " " and resid 123 and name HG2 ))
OR
(( segid " " and resid 121 and name HG2 ))
OR
(( segid " " and resid 121 and name HG1 ))
OR
(( segid " " and resid 120 and name HD1 ))
)
5.000 5.000 0.000 peak 5453 weight 0.10000E+01 volume 0.41800E+00 ppm1 1.714 ppm2 2.193
ASSI (
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)(
(( segid " " and resid 92 and name HB1 ))
)
6.000 6.000 0.000 peak 9282 weight 0.10000E+01 volume 0.22900E+00 ppm1 0.701 ppm2 2.986
ASSI (
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)(
(( segid " " and resid 122 and name HA ))
)
6.000 6.000 0.000 peak 9279 weight 0.10000E+01 volume 0.13300E+00 ppm1 0.701 ppm2 5.273
ASSI (
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)(
(( segid " " and resid 123 and name HG1 ))
)
5.000 5.000 0.000 peak 9285 weight 0.10000E+01 volume 0.59000E+00 ppm1 0.703 ppm2 2.328
ASSI (
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)(
(( segid " " and resid 121 and name HN ))
OR
(( segid " " and resid 98 and name HN ))
)
5.000 5.000 0.000 peak 9276 weight 0.10000E+01 volume 0.31100E+00 ppm1 0.702 ppm2 7.971
ASSI (
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG22))
OR
(( segid " " and resid 99 and name HG21))
)(
(( segid " " and resid 121 and name HE22))
)
6.000 6.000 0.000 peak 9273 weight 0.10000E+01 volume 0.13800E+00 ppm1 0.804 ppm2 6.642
ASSI (
(( segid " " and resid 100 and name HA2 ))
)(
(( segid " " and resid 120 and name HD2 ))
)
6.000 6.000 0.000 peak 5089 weight 0.10000E+01 volume 0.26900E+00 ppm1 3.590 ppm2 2.002
ASSI (
(( segid " " and resid 101 and name HB1 ))
)(
(( segid " " and resid 101 and name HA ))
OR
(( segid " " and resid 100 and name HA1 ))
)
3.300 3.300 0.000 peak 9293 weight 0.10000E+01 volume 0.21210E+01 ppm1 3.779 ppm2 4.467
ASSI (
(( segid " " and resid 101 and name HB1 ))
)(
(( segid " " and resid 117 and name HB2 ))
)
5.000 5.000 0.000 peak 5454 weight 0.10000E+01 volume 0.52600E+00 ppm1 3.781 ppm2 3.152
ASSI (
(( segid " " and resid 101 and name HB2 ))
)(
(( segid " " and resid 117 and name HB2 ))
)
5.000 5.000 0.000 peak 5455 weight 0.10000E+01 volume 0.33500E+00 ppm1 3.408 ppm2 3.158
ASSI (
(( segid " " and resid 101 and name HB2 ))
)(
(( segid " " and resid 101 and name HA ))
)
3.300 3.300 0.000 peak 9294 weight 0.10000E+01 volume 0.15490E+01 ppm1 3.408 ppm2 4.468
ASSI (
(( segid " " and resid 102 and name HA ))
)(
(( segid " " and resid 100 and name HA2 ))
)
6.000 6.000 0.000 peak 5092 weight 0.10000E+01 volume 0.16000E-01 ppm1 4.279 ppm2 3.545
ASSI (
(( segid " " and resid 102 and name HA ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
5.000 5.000 0.000 peak 9299 weight 0.10000E+01 volume 0.74700E+00 ppm1 4.280 ppm2 7.026
ASSI (
(( segid " " and resid 102 and name HG23))
OR
(( segid " " and resid 102 and name HG22))
OR
(( segid " " and resid 102 and name HG21))
)(
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)
3.300 3.300 0.000 peak 5736 weight 0.10000E+01 volume 0.21740E+01 ppm1 1.322 ppm2 0.417
ASSI (
(( segid " " and resid 102 and name HG23))
OR
(( segid " " and resid 102 and name HG22))
OR
(( segid " " and resid 102 and name HG21))
)(
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)
5.000 5.000 0.000 peak 5737 weight 0.10000E+01 volume 0.13540E+01 ppm1 1.323 ppm2 0.642
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 120 and name HD1 ))
OR
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HG1 ))
OR
(( segid " " and resid 87 and name HG2 ))
)
6.000 6.000 0.000 peak 5101 weight 0.10000E+01 volume 0.27200E+00 ppm1 5.056 ppm2 2.146
ASSI (
(( segid " " and resid 103 and name HB ))
)(
(( segid " " and resid 87 and name HG2 ))
OR
(( segid " " and resid 87 and name HG1 ))
)
5.000 5.000 0.000 peak 5456 weight 0.10000E+01 volume 0.14680E+01 ppm1 3.982 ppm2 2.190
ASSI (
(( segid " " and resid 103 and name HB ))
)(
(( segid " " and resid 102 and name HA ))
)
6.000 6.000 0.000 peak 9315 weight 0.10000E+01 volume 0.22500E+00 ppm1 3.984 ppm2 4.254
ASSI (
(( segid " " and resid 103 and name HB ))
)(
(( segid " " and resid 104 and name HA ))
OR
(( segid " " and resid 102 and name HB ))
)
6.000 6.000 0.000 peak 9314 weight 0.10000E+01 volume 0.16400E+00 ppm1 3.984 ppm2 4.537
ASSI (
(( segid " " and resid 103 and name HB ))
)(
(( segid " " and resid 89 and name HA ))
)
5.000 5.000 0.000 peak 9312 weight 0.10000E+01 volume 0.32500E+00 ppm1 3.984 ppm2 4.790
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 86 and name HA ))
)
5.000 5.000 0.000 peak 9327 weight 0.10000E+01 volume 0.63800E+00 ppm1 5.614 ppm2 4.394
ASSI (
(( segid " " and resid 105 and name HB1 ))
)(
(( segid " " and resid 104 and name HA ))
)
5.000 5.000 0.000 peak 9338 weight 0.10000E+01 volume 0.43400E+00 ppm1 1.691 ppm2 4.601
ASSI (
(( segid " " and resid 105 and name HG2 ))
)(
(( segid " " and resid 106 and name HN ))
OR
(( segid " " and resid 86 and name HN ))
)
5.000 5.000 0.000 peak 9346 weight 0.10000E+01 volume 0.78400E+00 ppm1 1.332 ppm2 8.382
ASSI (
(( segid " " and resid 107 and name HA ))
)(
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)
5.000 5.000 0.000 peak 4869 weight 0.10000E+01 volume 0.52600E+00 ppm1 4.926 ppm2 0.731
ASSI (
(( segid " " and resid 108 and name HA ))
)(
(( segid " " and resid 115 and name HE3 ))
OR
(( segid " " and resid 84 and name HE2 ))
OR
(( segid " " and resid 84 and name HE1 ))
)
5.000 5.000 0.000 peak 9369 weight 0.10000E+01 volume 0.30500E+00 ppm1 3.872 ppm2 7.348
ASSI (
(( segid " " and resid 108 and name HB ))
)(
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
OR
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 9379 weight 0.10000E+01 volume 0.36500E+00 ppm1 1.856 ppm2 0.545
ASSI (
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)(
(( segid " " and resid 84 and name HE2 ))
OR
(( segid " " and resid 84 and name HE1 ))
)
3.300 3.300 0.000 peak 8999 weight 0.10000E+01 volume 0.19420E+01 ppm1 0.695 ppm2 7.346
ASSI (
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)(
(( segid " " and resid 84 and name HA ))
)
5.000 5.000 0.000 peak 9387 weight 0.10000E+01 volume 0.48800E+00 ppm1 0.694 ppm2 3.643
ASSI (
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)(
(( segid " " and resid 114 and name HN ))
)
6.000 6.000 0.000 peak 9380 weight 0.10000E+01 volume 0.20300E+00 ppm1 0.694 ppm2 8.899
ASSI (
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)(
(( segid " " and resid 114 and name HA2 ))
)
5.000 5.000 0.000 peak 9386 weight 0.10000E+01 volume 0.55800E+00 ppm1 0.695 ppm2 3.744
ASSI (
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)(
(( segid " " and resid 112 and name HA1 ))
)
5.000 5.000 0.000 peak 9384 weight 0.10000E+01 volume 0.42400E+00 ppm1 0.695 ppm2 4.014
ASSI (
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)(
(( segid " " and resid 109 and name HA ))
)
3.300 3.300 0.000 peak 5746 weight 0.10000E+01 volume 0.15050E+01 ppm1 0.788 ppm2 4.441
ASSI (
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)(
(( segid " " and resid 107 and name HA ))
)
6.000 6.000 0.000 peak 9395 weight 0.10000E+01 volume 0.27600E+00 ppm1 0.788 ppm2 4.957
ASSI (
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)(
(( segid " " and resid 84 and name HE2 ))
OR
(( segid " " and resid 84 and name HE1 ))
)
6.000 6.000 0.000 peak 9393 weight 0.10000E+01 volume 0.21200E+00 ppm1 0.788 ppm2 7.353
ASSI (
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)(
(( segid " " and resid 114 and name HN ))
)
6.000 6.000 0.000 peak 9390 weight 0.10000E+01 volume 0.15500E+00 ppm1 0.788 ppm2 8.888
ASSI (
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)(
(( segid " " and resid 114 and name HA2 ))
)
6.000 6.000 0.000 peak 9399 weight 0.10000E+01 volume 0.17800E+00 ppm1 0.789 ppm2 3.740
ASSI (
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)(
(( segid " " and resid 111 and name HA ))
)
5.000 5.000 0.000 peak 9396 weight 0.10000E+01 volume 0.59100E+00 ppm1 0.789 ppm2 4.350
ASSI (
(( segid " " and resid 109 and name HG2 ))
OR
(( segid " " and resid 109 and name HG1 ))
)(
(( segid " " and resid 116 and name HB2 ))
OR
(( segid " " and resid 114 and name HA2 ))
)
6.000 6.000 0.000 peak 9419 weight 0.10000E+01 volume 0.28000E+00 ppm1 2.142 ppm2 3.730
ASSI (
(( segid " " and resid 110 and name HB1 ))
)(
(( segid " " and resid 111 and name HG2 ))
OR
(( segid " " and resid 111 and name HG1 ))
OR
(( segid " " and resid 109 and name HB2 ))
)
5.000 5.000 0.000 peak 5466 weight 0.10000E+01 volume 0.60200E+00 ppm1 2.769 ppm2 1.544
ASSI (
(( segid " " and resid 110 and name HB2 ))
)(
(( segid " " and resid 111 and name HG2 ))
OR
(( segid " " and resid 111 and name HG1 ))
OR
(( segid " " and resid 109 and name HB2 ))
)
5.000 5.000 0.000 peak 9429 weight 0.10000E+01 volume 0.44800E+00 ppm1 2.607 ppm2 1.545
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 109 and name HN ))
)
5.000 5.000 0.000 peak 5114 weight 0.10000E+01 volume 0.89200E+00 ppm1 5.148 ppm2 8.086
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)
3.300 3.300 0.000 peak 5758 weight 0.10000E+01 volume 0.24070E+01 ppm1 0.418 ppm2 0.823
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 65 and name HB2 ))
OR
(( segid " " and resid 65 and name HB1 ))
)
6.000 6.000 0.000 peak 5761 weight 0.10000E+01 volume 0.24900E+00 ppm1 0.418 ppm2 2.333
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 84 and name HB2 ))
)
6.000 6.000 0.000 peak 5762 weight 0.10000E+01 volume 0.18700E+00 ppm1 0.418 ppm2 2.464
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 112 and name HA2 ))
OR
(( segid " " and resid 112 and name HA1 ))
OR
(( segid " " and resid 62 and name HA ))
)
5.000 5.000 0.000 peak 5763 weight 0.10000E+01 volume 0.77500E+00 ppm1 0.418 ppm2 3.970
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 65 and name HA ))
OR
(( segid " " and resid 63 and name HA ))
)
3.300 3.300 0.000 peak 5764 weight 0.10000E+01 volume 0.24300E+01 ppm1 0.418 ppm2 4.114
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 111 and name HA ))
)
5.000 5.000 0.000 peak 9475 weight 0.10000E+01 volume 0.43600E+00 ppm1 0.418 ppm2 4.350
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 64 and name HA ))
)
5.000 5.000 0.000 peak 9474 weight 0.10000E+01 volume 0.44400E+00 ppm1 0.418 ppm2 4.531
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)
5.000 5.000 0.000 peak 9472 weight 0.10000E+01 volume 0.32700E+00 ppm1 0.418 ppm2 6.730
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
OR
(( segid " " and resid 61 and name HD13))
OR
(( segid " " and resid 61 and name HD12))
OR
(( segid " " and resid 61 and name HD11))
)
3.300 3.300 0.000 peak 9481 weight 0.10000E+01 volume 0.16990E+01 ppm1 0.419 ppm2 0.687
ASSI (
(( segid " " and resid 115 and name HB1 ))
)(
(( segid " " and resid 118 and name HA ))
)
6.000 6.000 0.000 peak 9493 weight 0.10000E+01 volume 0.23000E+00 ppm1 3.511 ppm2 4.606
ASSI (
(( segid " " and resid 115 and name HB1 ))
)(
(( segid " " and resid 118 and name HD1 ))
OR
(( segid " " and resid 116 and name HB1 ))
OR
(( segid " " and resid 114 and name HA1 ))
OR
(( segid " " and resid 106 and name HA ))
OR
(( segid " " and resid 104 and name HB1 ))
)
6.000 6.000 0.000 peak 9495 weight 0.10000E+01 volume 0.23600E+00 ppm1 3.516 ppm2 3.881
ASSI (
(( segid " " and resid 115 and name HB2 ))
)(
(( segid " " and resid 118 and name HA ))
OR
(( segid " " and resid 82 and name HA ))
)
6.000 6.000 0.000 peak 9494 weight 0.10000E+01 volume 0.22500E+00 ppm1 2.781 ppm2 4.613
ASSI (
(( segid " " and resid 115 and name HB2 ))
)(
(( segid " " and resid 118 and name HD1 ))
OR
(( segid " " and resid 116 and name HB1 ))
OR
(( segid " " and resid 114 and name HA1 ))
OR
(( segid " " and resid 108 and name HA ))
OR
(( segid " " and resid 106 and name HA ))
OR
(( segid " " and resid 104 and name HB1 ))
)
5.000 5.000 0.000 peak 9496 weight 0.10000E+01 volume 0.39400E+00 ppm1 2.785 ppm2 3.878
ASSI (
(( segid " " and resid 115 and name HH2 ))
)(
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)
5.000 5.000 0.000 peak 9506 weight 0.10000E+01 volume 0.39700E+00 ppm1 6.766 ppm2 0.499
ASSI (
(( segid " " and resid 116 and name HA ))
)(
(( segid " " and resid 118 and name HB1 ))
OR
(( segid " " and resid 107 and name HG2 ))
OR
(( segid " " and resid 107 and name HG1 ))
OR
(( segid " " and resid 65 and name HB2 ))
)
6.000 6.000 0.000 peak 9366 weight 0.10000E+01 volume 0.27800E+00 ppm1 3.963 ppm2 2.264
ASSI (
(( segid " " and resid 118 and name HD1 ))
)(
(( segid " " and resid 119 and name HA ))
OR
(( segid " " and resid 117 and name HB1 ))
)
5.000 5.000 0.000 peak 9541 weight 0.10000E+01 volume 0.58500E+00 ppm1 3.862 ppm2 3.365
ASSI (
(( segid " " and resid 118 and name HD2 ))
)(
(( segid " " and resid 119 and name HA ))
OR
(( segid " " and resid 117 and name HB1 ))
)
5.000 5.000 0.000 peak 9542 weight 0.10000E+01 volume 0.60500E+00 ppm1 3.766 ppm2 3.366
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 98 and name HB1 ))
OR
(( segid " " and resid 72 and name HB2 ))
OR
(( segid " " and resid 71 and name HB1 ))
OR
(( segid " " and resid 68 and name HG1 ))
)
5.000 5.000 0.000 peak 5139 weight 0.10000E+01 volume 0.36900E+00 ppm1 3.351 ppm2 1.504
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 90 and name HZ ))
OR
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)
6.000 6.000 0.000 peak 9549 weight 0.10000E+01 volume 0.28800E+00 ppm1 3.351 ppm2 6.710
ASSI (
(( segid " " and resid 119 and name HB1 ))
)(
(( segid " " and resid 118 and name HA ))
)
6.000 6.000 0.000 peak 9555 weight 0.10000E+01 volume 0.28500E+00 ppm1 1.322 ppm2 4.580
ASSI (
(( segid " " and resid 119 and name HB1 ))
)(
(( segid " " and resid 120 and name HD2 ))
OR
(( segid " " and resid 118 and name HG1 ))
OR
(( segid " " and resid 118 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
)
5.000 5.000 0.000 peak 5475 weight 0.10000E+01 volume 0.55300E+00 ppm1 1.323 ppm2 2.049
ASSI (
(( segid " " and resid 119 and name HB1 ))
)(
(( segid " " and resid 120 and name HD1 ))
OR
(( segid " " and resid 118 and name HB1 ))
)
5.000 5.000 0.000 peak 9559 weight 0.10000E+01 volume 0.31100E+00 ppm1 1.324 ppm2 2.215
ASSI (
(( segid " " and resid 119 and name HB2 ))
)(
(( segid " " and resid 121 and name HG2 ))
OR
(( segid " " and resid 120 and name HD1 ))
OR
(( segid " " and resid 118 and name HB1 ))
)
6.000 6.000 0.000 peak 9560 weight 0.10000E+01 volume 0.28800E+00 ppm1 1.210 ppm2 2.213
ASSI (
(( segid " " and resid 119 and name HB2 ))
)(
(( segid " " and resid 118 and name HA ))
OR
(( segid " " and resid 98 and name HA ))
)
6.000 6.000 0.000 peak 9556 weight 0.10000E+01 volume 0.19300E+00 ppm1 1.210 ppm2 4.579
ASSI (
(( segid " " and resid 119 and name HB2 ))
)(
(( segid " " and resid 120 and name HD2 ))
OR
(( segid " " and resid 118 and name HG1 ))
OR
(( segid " " and resid 118 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
)
5.000 5.000 0.000 peak 5476 weight 0.10000E+01 volume 0.58100E+00 ppm1 1.211 ppm2 2.049
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
5.000 5.000 0.000 peak 9586 weight 0.10000E+01 volume 0.35000E+00 ppm1 0.554 ppm2 7.021
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 72 and name HN ))
)
5.000 5.000 0.000 peak 9580 weight 0.10000E+01 volume 0.41200E+00 ppm1 0.554 ppm2 8.524
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)
5.000 5.000 0.000 peak 5766 weight 0.10000E+01 volume 0.61900E+00 ppm1 0.555 ppm2 -0.604
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 68 and name HD2 ))
)
6.000 6.000 0.000 peak 9589 weight 0.10000E+01 volume 0.15500E+00 ppm1 0.555 ppm2 2.472
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 118 and name HD2 ))
OR
(( segid " " and resid 69 and name HA2 ))
)
5.000 5.000 0.000 peak 9588 weight 0.10000E+01 volume 0.67500E+00 ppm1 0.555 ppm2 3.736
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 118 and name HD1 ))
OR
(( segid " " and resid 104 and name HB1 ))
)
5.000 5.000 0.000 peak 5767 weight 0.10000E+01 volume 0.43200E+00 ppm1 0.555 ppm2 3.873
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 70 and name HA ))
)
5.000 5.000 0.000 peak 9587 weight 0.10000E+01 volume 0.40300E+00 ppm1 0.555 ppm2 4.111
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 76 and name HN ))
)
6.000 6.000 0.000 peak 9581 weight 0.10000E+01 volume 0.24300E+00 ppm1 0.555 ppm2 8.383
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 69 and name HN ))
)
6.000 6.000 0.000 peak 9577 weight 0.10000E+01 volume 0.26000E+00 ppm1 0.555 ppm2 9.646
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 76 and name HB ))
)
5.000 5.000 0.000 peak 9592 weight 0.10000E+01 volume 0.48800E+00 ppm1 0.556 ppm2 1.960
ASSI (
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
)(
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)
6.000 6.000 0.000 peak 5768 weight 0.10000E+01 volume 0.29000E+00 ppm1 0.459 ppm2 -0.597
ASSI (
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
)(
(( segid " " and resid 118 and name HG2 ))
)
6.000 6.000 0.000 peak 9601 weight 0.10000E+01 volume 0.92000E-01 ppm1 0.460 ppm2 1.860
ASSI (
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
)(
(( segid " " and resid 120 and name HD2 ))
OR
(( segid " " and resid 118 and name HG1 ))
OR
(( segid " " and resid 118 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 70 and name HG2 ))
)
5.000 5.000 0.000 peak 9600 weight 0.10000E+01 volume 0.44100E+00 ppm1 0.460 ppm2 2.014
ASSI (
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
)(
(( segid " " and resid 120 and name HD1 ))
OR
(( segid " " and resid 118 and name HB1 ))
)
6.000 6.000 0.000 peak 9599 weight 0.10000E+01 volume 0.25800E+00 ppm1 0.460 ppm2 2.211
ASSI (
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
6.000 6.000 0.000 peak 9597 weight 0.10000E+01 volume 0.21600E+00 ppm1 0.460 ppm2 7.024
ASSI (
(( segid " " and resid 119 and name HG ))
)(
(( segid " " and resid 70 and name HN ))
)
5.000 5.000 0.000 peak 9569 weight 0.10000E+01 volume 0.52900E+00 ppm1 1.402 ppm2 7.723
ASSI (
(( segid " " and resid 119 and name HG ))
)(
(( segid " " and resid 90 and name HZ ))
OR
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)
5.000 5.000 0.000 peak 9570 weight 0.10000E+01 volume 0.10920E+01 ppm1 1.403 ppm2 6.696
ASSI (
(( segid " " and resid 120 and name HD1 ))
)(
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
OR
(( segid " " and resid 71 and name HG ))
)
5.000 5.000 0.000 peak 5701 weight 0.10000E+01 volume 0.63800E+00 ppm1 2.182 ppm2 0.990
ASSI (
(( segid " " and resid 120 and name HD1 ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
6.000 6.000 0.000 peak 9603 weight 0.10000E+01 volume 0.20200E+00 ppm1 2.181 ppm2 7.021
ASSI (
(( segid " " and resid 120 and name HD1 ))
)(
(( segid " " and resid 98 and name HB1 ))
OR
(( segid " " and resid 72 and name HB2 ))
OR
(( segid " " and resid 71 and name HB1 ))
OR
(( segid " " and resid 68 and name HG1 ))
)
5.000 5.000 0.000 peak 9609 weight 0.10000E+01 volume 0.60800E+00 ppm1 2.186 ppm2 1.512
ASSI (
(( segid " " and resid 120 and name HD1 ))
)(
(( segid " " and resid 90 and name HZ ))
OR
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)
6.000 6.000 0.000 peak 9605 weight 0.10000E+01 volume 0.25000E+00 ppm1 2.189 ppm2 6.694
ASSI (
(( segid " " and resid 120 and name HD2 ))
)(
(( segid " " and resid 90 and name HZ ))
OR
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)
6.000 6.000 0.000 peak 9606 weight 0.10000E+01 volume 0.22300E+00 ppm1 2.039 ppm2 6.693
ASSI (
(( segid " " and resid 120 and name HD2 ))
)(
(( segid " " and resid 98 and name HB1 ))
OR
(( segid " " and resid 72 and name HB2 ))
OR
(( segid " " and resid 71 and name HB1 ))
OR
(( segid " " and resid 68 and name HG1 ))
)
5.000 5.000 0.000 peak 9610 weight 0.10000E+01 volume 0.65900E+00 ppm1 2.040 ppm2 1.514
ASSI (
(( segid " " and resid 120 and name HD2 ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
6.000 6.000 0.000 peak 9604 weight 0.10000E+01 volume 0.21500E+00 ppm1 2.044 ppm2 7.021
ASSI (
(( segid " " and resid 120 and name HD2 ))
)(
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
OR
(( segid " " and resid 71 and name HG ))
OR
(( segid " " and resid 68 and name HG2 ))
)
5.000 5.000 0.000 peak 8955 weight 0.10000E+01 volume 0.80800E+00 ppm1 2.039 ppm2 0.991
ASSI (
(( segid " " and resid 121 and name HA ))
)(
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
OR
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)
5.000 5.000 0.000 peak 5141 weight 0.10000E+01 volume 0.12730E+01 ppm1 4.374 ppm2 0.496
ASSI (
(( segid " " and resid 121 and name HB2 ))
)(
(( segid " " and resid 99 and name HG12))
OR
(( segid " " and resid 71 and name HG ))
)
5.000 5.000 0.000 peak 9624 weight 0.10000E+01 volume 0.48300E+00 ppm1 1.780 ppm2 1.016
ASSI (
(( segid " " and resid 122 and name HA ))
)(
(( segid " " and resid 98 and name HA ))
)
5.000 5.000 0.000 peak 5147 weight 0.10000E+01 volume 0.73400E+00 ppm1 5.261 ppm2 4.560
ASSI (
(( segid " " and resid 122 and name HA ))
)(
(( segid " " and resid 123 and name HG2 ))
OR
(( segid " " and resid 121 and name HG2 ))
OR
(( segid " " and resid 121 and name HG1 ))
OR
(( segid " " and resid 120 and name HD1 ))
)
6.000 6.000 0.000 peak 5146 weight 0.10000E+01 volume 0.11800E+00 ppm1 5.262 ppm2 2.186
ASSI (
(( segid " " and resid 122 and name HB2 ))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
OR
(( segid " " and resid 73 and name HD22))
)
5.000 5.000 0.000 peak 9639 weight 0.10000E+01 volume 0.39100E+00 ppm1 2.414 ppm2 6.720
ASSI (
(( segid " " and resid 123 and name HA ))
)(
(( segid " " and resid 96 and name HA ))
)
5.000 5.000 0.000 peak 5100 weight 0.10000E+01 volume 0.73400E+00 ppm1 4.793 ppm2 5.057
ASSI (
(( segid " " and resid 123 and name HB1 ))
)(
(( segid " " and resid 97 and name HE2 ))
OR
(( segid " " and resid 97 and name HE1 ))
)
5.000 5.000 0.000 peak 9653 weight 0.10000E+01 volume 0.31500E+00 ppm1 1.660 ppm2 7.188
ASSI (
(( segid " " and resid 123 and name HB2 ))
)(
(( segid " " and resid 97 and name HE2 ))
OR
(( segid " " and resid 97 and name HE1 ))
)
6.000 6.000 0.000 peak 9654 weight 0.10000E+01 volume 0.25400E+00 ppm1 1.464 ppm2 7.186
ASSI (
(( segid " " and resid 123 and name HG1 ))
)(
(( segid " " and resid 97 and name HE2 ))
OR
(( segid " " and resid 97 and name HE1 ))
OR
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)
5.000 5.000 0.000 peak 9666 weight 0.10000E+01 volume 0.48300E+00 ppm1 2.281 ppm2 7.183
ASSI (
(( segid " " and resid 123 and name HG2 ))
)(
(( segid " " and resid 97 and name HE2 ))
OR
(( segid " " and resid 97 and name HE1 ))
OR
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)
5.000 5.000 0.000 peak 9667 weight 0.10000E+01 volume 0.48500E+00 ppm1 2.195 ppm2 7.182
ASSI (
(( segid " " and resid 124 and name HA ))
)(
(( segid " " and resid 96 and name HB2 ))
)
6.000 6.000 0.000 peak 5151 weight 0.10000E+01 volume 0.16800E+00 ppm1 3.590 ppm2 2.500
ASSI (
(( segid " " and resid 124 and name HA ))
)(
(( segid " " and resid 97 and name HE2 ))
OR
(( segid " " and resid 97 and name HE1 ))
OR
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)
6.000 6.000 0.000 peak 9674 weight 0.10000E+01 volume 0.19700E+00 ppm1 3.590 ppm2 7.149
ASSI (
(( segid " " and resid 124 and name HD13))
OR
(( segid " " and resid 124 and name HD12))
OR
(( segid " " and resid 124 and name HD11))
)(
(( segid " " and resid 96 and name HA ))
)
6.000 6.000 0.000 peak 9715 weight 0.10000E+01 volume 0.10100E+00 ppm1 0.571 ppm2 5.099
ASSI (
(( segid " " and resid 124 and name HD13))
OR
(( segid " " and resid 124 and name HD12))
OR
(( segid " " and resid 124 and name HD11))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)
6.000 6.000 0.000 peak 9714 weight 0.10000E+01 volume 0.29600E+00 ppm1 0.571 ppm2 6.733
ASSI (
(( segid " " and resid 124 and name HG11))
)(
(( segid " " and resid 126 and name HN ))
OR
(( segid " " and resid 96 and name HN ))
)
6.000 6.000 0.000 peak 9690 weight 0.10000E+01 volume 0.14400E+00 ppm1 1.098 ppm2 8.173
ASSI (
(( segid " " and resid 124 and name HG12))
)(
(( segid " " and resid 126 and name HN ))
OR
(( segid " " and resid 96 and name HN ))
)
6.000 6.000 0.000 peak 9691 weight 0.10000E+01 volume 0.14700E+00 ppm1 0.821 ppm2 8.174
ASSI (
(( segid " " and resid 124 and name HG23))
OR
(( segid " " and resid 124 and name HG22))
OR
(( segid " " and resid 124 and name HG21))
)(
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)
6.000 6.000 0.000 peak 9705 weight 0.10000E+01 volume 0.14900E+00 ppm1 0.654 ppm2 7.026
ASSI (
(( segid " " and resid 124 and name HG23))
OR
(( segid " " and resid 124 and name HG22))
OR
(( segid " " and resid 124 and name HG21))
)(
(( segid " " and resid 126 and name HN ))
OR
(( segid " " and resid 96 and name HN ))
)
5.000 5.000 0.000 peak 9702 weight 0.10000E+01 volume 0.57900E+00 ppm1 0.655 ppm2 8.171
ASSI (
(( segid " " and resid 124 and name HG23))
OR
(( segid " " and resid 124 and name HG22))
OR
(( segid " " and resid 124 and name HG21))
)(
(( segid " " and resid 124 and name HN ))
)
3.300 3.300 0.000 peak 9701 weight 0.10000E+01 volume 0.22250E+01 ppm1 0.655 ppm2 8.664
ASSI (
(( segid " " and resid 1 and name HA ))
)(
(( segid " " and resid 1 and name HB1 ))
)
3.300 3.300 0.000 peak 4789 weight 0.10000E+01 volume 0.16010E+01 ppm1 4.899 ppm2 2.762
ASSI (
(( segid " " and resid 1 and name HA ))
)(
(( segid " " and resid 1 and name HD21))
)
6.000 6.000 0.000 peak 7529 weight 0.10000E+01 volume 0.19300E+00 ppm1 4.900 ppm2 7.256
ASSI (
(( segid " " and resid 1 and name HA ))
)(
(( segid " " and resid 2 and name HB2 ))
)
6.000 6.000 0.000 peak 4792 weight 0.10000E+01 volume 0.28400E+00 ppm1 4.900 ppm2 2.236
ASSI (
(( segid " " and resid 1 and name HA ))
)(
(( segid " " and resid 2 and name HN ))
)
3.300 3.300 0.000 peak 5778 weight 0.10000E+01 volume 0.27130E+01 ppm1 4.899 ppm2 8.847
ASSI (
(( segid " " and resid 1 and name HA ))
)(
(( segid " " and resid 25 and name HN ))
)
5.000 5.000 0.000 peak 6145 weight 0.10000E+01 volume 0.53800E+00 ppm1 4.899 ppm2 8.601
ASSI (
(( segid " " and resid 1 and name HB1 ))
)(
(( segid " " and resid 1 and name HD21))
)
5.000 5.000 0.000 peak 7322 weight 0.10000E+01 volume 0.73600E+00 ppm1 2.755 ppm2 7.265
ASSI (
(( segid " " and resid 1 and name HB1 ))
)(
(( segid " " and resid 1 and name HD22))
)
5.000 5.000 0.000 peak 7517 weight 0.10000E+01 volume 0.30400E+00 ppm1 2.756 ppm2 6.928
ASSI (
(( segid " " and resid 1 and name HB1 ))
)(
(( segid " " and resid 2 and name HN ))
)
3.300 3.300 0.000 peak 4795 weight 0.10000E+01 volume 0.17560E+01 ppm1 2.756 ppm2 8.852
ASSI (
(( segid " " and resid 1 and name HB1 ))
)(
(( segid " " and resid 22 and name HB2 ))
OR
(( segid " " and resid 22 and name HB1 ))
)
5.000 5.000 0.000 peak 7889 weight 0.10000E+01 volume 0.80300E+00 ppm1 2.751 ppm2 1.529
ASSI (
(( segid " " and resid 1 and name HB2 ))
)(
(( segid " " and resid 1 and name HA ))
)
3.300 3.300 0.000 peak 6523 weight 0.10000E+01 volume 0.29580E+01 ppm1 2.608 ppm2 4.910
ASSI (
(( segid " " and resid 1 and name HB2 ))
)(
(( segid " " and resid 1 and name HD21))
)
5.000 5.000 0.000 peak 7515 weight 0.10000E+01 volume 0.84400E+00 ppm1 2.605 ppm2 7.263
ASSI (
(( segid " " and resid 1 and name HB2 ))
)(
(( segid " " and resid 1 and name HD22))
)
5.000 5.000 0.000 peak 7518 weight 0.10000E+01 volume 0.35000E+00 ppm1 2.605 ppm2 6.927
ASSI (
(( segid " " and resid 1 and name HB2 ))
)(
(( segid " " and resid 2 and name HN ))
)
5.000 5.000 0.000 peak 5779 weight 0.10000E+01 volume 0.70500E+00 ppm1 2.603 ppm2 8.853
ASSI (
(( segid " " and resid 1 and name HB2 ))
)(
(( segid " " and resid 22 and name HB2 ))
OR
(( segid " " and resid 22 and name HB1 ))
)
5.000 5.000 0.000 peak 5467 weight 0.10000E+01 volume 0.89600E+00 ppm1 2.609 ppm2 1.528
ASSI (
(( segid " " and resid 2 and name HB1 ))
)(
(( segid " " and resid 2 and name HA ))
)
5.000 5.000 0.000 peak 7533 weight 0.10000E+01 volume 0.78200E+00 ppm1 3.036 ppm2 4.575
ASSI (
(( segid " " and resid 2 and name HB1 ))
)(
(( segid " " and resid 2 and name HB2 ))
)
3.300 3.300 0.000 peak 6782 weight 0.10000E+01 volume 0.19320E+01 ppm1 3.039 ppm2 2.248
ASSI (
(( segid " " and resid 2 and name HB1 ))
)(
(( segid " " and resid 2 and name HN ))
)
5.000 5.000 0.000 peak 6161 weight 0.10000E+01 volume 0.56200E+00 ppm1 3.031 ppm2 8.843
ASSI (
(( segid " " and resid 2 and name HB1 ))
)(
(( segid " " and resid 3 and name HN ))
)
5.000 5.000 0.000 peak 5786 weight 0.10000E+01 volume 0.56700E+00 ppm1 3.035 ppm2 8.534
ASSI (
(( segid " " and resid 2 and name HB1 ))
)(
(( segid " " and resid 54 and name HE1 ))
)
5.000 5.000 0.000 peak 6682 weight 0.10000E+01 volume 0.61100E+00 ppm1 3.038 ppm2 10.006
ASSI (
(( segid " " and resid 2 and name HB1 ))
)(
(( segid " " and resid 54 and name HZ2 ))
)
6.000 6.000 0.000 peak 7535 weight 0.10000E+01 volume 0.20800E+00 ppm1 3.037 ppm2 6.966
ASSI (
(( segid " " and resid 2 and name HB2 ))
)(
(( segid " " and resid 2 and name HA ))
)
5.000 5.000 0.000 peak 7534 weight 0.10000E+01 volume 0.53700E+00 ppm1 2.232 ppm2 4.577
ASSI (
(( segid " " and resid 2 and name HB2 ))
)(
(( segid " " and resid 2 and name HN ))
)
5.000 5.000 0.000 peak 6248 weight 0.10000E+01 volume 0.85100E+00 ppm1 2.233 ppm2 8.838
ASSI (
(( segid " " and resid 2 and name HB2 ))
)(
(( segid " " and resid 3 and name HN ))
)
5.000 5.000 0.000 peak 5788 weight 0.10000E+01 volume 0.39800E+00 ppm1 2.231 ppm2 8.535
ASSI (
(( segid " " and resid 2 and name HB2 ))
)(
(( segid " " and resid 23 and name HB2 ))
)
5.000 5.000 0.000 peak 5163 weight 0.10000E+01 volume 0.47800E+00 ppm1 2.231 ppm2 2.716
ASSI (
(( segid " " and resid 2 and name HB2 ))
)(
(( segid " " and resid 54 and name HE1 ))
)
5.000 5.000 0.000 peak 6681 weight 0.10000E+01 volume 0.44000E+00 ppm1 2.233 ppm2 10.004
ASSI (
(( segid " " and resid 2 and name HB2 ))
)(
(( segid " " and resid 54 and name HZ2 ))
)
6.000 6.000 0.000 peak 7538 weight 0.10000E+01 volume 0.26500E+00 ppm1 2.231 ppm2 6.955
ASSI (
(( segid " " and resid 3 and name HA1 ))
)(
(( segid " " and resid 3 and name HA2 ))
)
2.700 2.700 0.000 peak 7540 weight 0.10000E+01 volume 0.38560E+01 ppm1 4.857 ppm2 3.965
ASSI (
(( segid " " and resid 3 and name HA1 ))
)(
(( segid " " and resid 3 and name HN ))
)
5.000 5.000 0.000 peak 4838 weight 0.10000E+01 volume 0.86100E+00 ppm1 4.853 ppm2 8.530
ASSI (
(( segid " " and resid 3 and name HA1 ))
)(
(( segid " " and resid 4 and name HD2 ))
)
5.000 5.000 0.000 peak 4802 weight 0.10000E+01 volume 0.89300E+00 ppm1 4.860 ppm2 3.650
ASSI (
(( segid " " and resid 3 and name HA2 ))
)(
(( segid " " and resid 3 and name HN ))
)
3.300 3.300 0.000 peak 4839 weight 0.10000E+01 volume 0.15850E+01 ppm1 3.957 ppm2 8.528
ASSI (
(( segid " " and resid 3 and name HA2 ))
)(
(( segid " " and resid 4 and name HD2 ))
)
5.000 5.000 0.000 peak 4840 weight 0.10000E+01 volume 0.11560E+01 ppm1 3.959 ppm2 3.652
ASSI (
(( segid " " and resid 4 and name HB1 ))
)(
(( segid " " and resid 4 and name HA ))
)
5.000 5.000 0.000 peak 7544 weight 0.10000E+01 volume 0.13250E+01 ppm1 2.436 ppm2 4.657
ASSI (
(( segid " " and resid 4 and name HB1 ))
)(
(( segid " " and resid 4 and name HB2 ))
)
2.700 2.700 0.000 peak 7542 weight 0.10000E+01 volume 0.55490E+01 ppm1 2.435 ppm2 1.780
ASSI (
(( segid " " and resid 4 and name HB1 ))
)(
(( segid " " and resid 4 and name HD1 ))
)
5.000 5.000 0.000 peak 7594 weight 0.10000E+01 volume 0.34300E+00 ppm1 2.434 ppm2 3.937
ASSI (
(( segid " " and resid 4 and name HB1 ))
)(
(( segid " " and resid 4 and name HD2 ))
)
5.000 5.000 0.000 peak 7598 weight 0.10000E+01 volume 0.54400E+00 ppm1 2.435 ppm2 3.642
ASSI (
(( segid " " and resid 4 and name HB1 ))
)(
(( segid " " and resid 4 and name HG1 ))
)
5.000 5.000 0.000 peak 7603 weight 0.10000E+01 volume 0.12610E+01 ppm1 2.435 ppm2 2.198
ASSI (
(( segid " " and resid 4 and name HB1 ))
)(
(( segid " " and resid 4 and name HG2 ))
)
3.300 3.300 0.000 peak 7605 weight 0.10000E+01 volume 0.15950E+01 ppm1 2.435 ppm2 2.058
ASSI (
(( segid " " and resid 4 and name HB1 ))
)(
(( segid " " and resid 5 and name HD1 ))
)
5.000 5.000 0.000 peak 5168 weight 0.10000E+01 volume 0.66900E+00 ppm1 2.432 ppm2 3.480
ASSI (
(( segid " " and resid 4 and name HB2 ))
)(
(( segid " " and resid 4 and name HA ))
)
5.000 5.000 0.000 peak 7545 weight 0.10000E+01 volume 0.10670E+01 ppm1 1.780 ppm2 4.657
ASSI (
(( segid " " and resid 4 and name HB2 ))
)(
(( segid " " and resid 4 and name HD1 ))
)
5.000 5.000 0.000 peak 7596 weight 0.10000E+01 volume 0.71300E+00 ppm1 1.780 ppm2 3.936
ASSI (
(( segid " " and resid 4 and name HB2 ))
)(
(( segid " " and resid 4 and name HD2 ))
)
5.000 5.000 0.000 peak 7600 weight 0.10000E+01 volume 0.68700E+00 ppm1 1.779 ppm2 3.637
ASSI (
(( segid " " and resid 4 and name HD1 ))
)(
(( segid " " and resid 3 and name HA1 ))
)
5.000 5.000 0.000 peak 4836 weight 0.10000E+01 volume 0.70300E+00 ppm1 3.911 ppm2 4.871
ASSI (
(( segid " " and resid 4 and name HD1 ))
)(
(( segid " " and resid 4 and name HG1 ))
)
5.000 5.000 0.000 peak 7619 weight 0.10000E+01 volume 0.91400E+00 ppm1 3.914 ppm2 2.199
ASSI (
(( segid " " and resid 4 and name HD1 ))
)(
(( segid " " and resid 4 and name HG2 ))
)
5.000 5.000 0.000 peak 7618 weight 0.10000E+01 volume 0.97400E+00 ppm1 3.914 ppm2 2.060
ASSI (
(( segid " " and resid 4 and name HD2 ))
)(
(( segid " " and resid 4 and name HD1 ))
)
2.700 2.700 0.000 peak 7620 weight 0.10000E+01 volume 0.47310E+01 ppm1 3.638 ppm2 3.923
ASSI (
(( segid " " and resid 4 and name HG1 ))
)(
(( segid " " and resid 4 and name HA ))
)
6.000 6.000 0.000 peak 7616 weight 0.10000E+01 volume 0.26000E+00 ppm1 2.189 ppm2 4.657
ASSI (
(( segid " " and resid 4 and name HG1 ))
)(
(( segid " " and resid 4 and name HB2 ))
)
3.300 3.300 0.000 peak 7610 weight 0.10000E+01 volume 0.26870E+01 ppm1 2.192 ppm2 1.783
ASSI (
(( segid " " and resid 4 and name HG1 ))
)(
(( segid " " and resid 4 and name HD2 ))
)
3.300 3.300 0.000 peak 7612 weight 0.10000E+01 volume 0.17260E+01 ppm1 2.191 ppm2 3.644
ASSI (
(( segid " " and resid 4 and name HG1 ))
)(
(( segid " " and resid 4 and name HG2 ))
)
2.700 2.700 0.000 peak 7607 weight 0.10000E+01 volume 0.72080E+01 ppm1 2.193 ppm2 2.060
ASSI (
(( segid " " and resid 4 and name HG2 ))
)(
(( segid " " and resid 4 and name HA ))
)
5.000 5.000 0.000 peak 7617 weight 0.10000E+01 volume 0.34100E+00 ppm1 2.060 ppm2 4.657
ASSI (
(( segid " " and resid 4 and name HG2 ))
)(
(( segid " " and resid 4 and name HB2 ))
)
3.300 3.300 0.000 peak 7611 weight 0.10000E+01 volume 0.29680E+01 ppm1 2.060 ppm2 1.783
ASSI (
(( segid " " and resid 4 and name HG2 ))
)(
(( segid " " and resid 4 and name HD2 ))
)
3.300 3.300 0.000 peak 7614 weight 0.10000E+01 volume 0.17650E+01 ppm1 2.059 ppm2 3.642
ASSI (
(( segid " " and resid 5 and name HA ))
)(
(( segid " " and resid 5 and name HB1 ))
)
5.000 5.000 0.000 peak 6696 weight 0.10000E+01 volume 0.64300E+00 ppm1 3.477 ppm2 1.142
ASSI (
(( segid " " and resid 5 and name HA ))
)(
(( segid " " and resid 5 and name HB2 ))
)
5.000 5.000 0.000 peak 6697 weight 0.10000E+01 volume 0.84300E+00 ppm1 3.478 ppm2 0.240
ASSI (
(( segid " " and resid 5 and name HA ))
)(
(( segid " " and resid 5 and name HG2 ))
)
6.000 6.000 0.000 peak 7623 weight 0.10000E+01 volume 0.24800E+00 ppm1 3.477 ppm2 0.918
ASSI (
(( segid " " and resid 5 and name HA ))
)(
(( segid " " and resid 6 and name HD2 ))
)
5.000 5.000 0.000 peak 6693 weight 0.10000E+01 volume 0.11230E+01 ppm1 3.480 ppm2 2.730
ASSI (
(( segid " " and resid 5 and name HA ))
)(
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)
5.000 5.000 0.000 peak 6694 weight 0.10000E+01 volume 0.37800E+00 ppm1 3.477 ppm2 0.034
ASSI (
(( segid " " and resid 5 and name HA ))
)(
(( segid " " and resid 54 and name HD1 ))
)
5.000 5.000 0.000 peak 6680 weight 0.10000E+01 volume 0.57000E+00 ppm1 3.480 ppm2 7.286
ASSI (
(( segid " " and resid 5 and name HA ))
)(
(( segid " " and resid 54 and name HE1 ))
)
5.000 5.000 0.000 peak 6678 weight 0.10000E+01 volume 0.61900E+00 ppm1 3.475 ppm2 10.004
ASSI (
(( segid " " and resid 5 and name HB1 ))
)(
(( segid " " and resid 5 and name HB2 ))
)
3.300 3.300 0.000 peak 5202 weight 0.10000E+01 volume 0.29040E+01 ppm1 1.137 ppm2 0.231
ASSI (
(( segid " " and resid 5 and name HB1 ))
)(
(( segid " " and resid 5 and name HD2 ))
)
6.000 6.000 0.000 peak 7636 weight 0.10000E+01 volume 0.15300E+00 ppm1 1.138 ppm2 3.031
ASSI (
(( segid " " and resid 5 and name HB1 ))
)(
(( segid " " and resid 5 and name HG1 ))
)
5.000 5.000 0.000 peak 7632 weight 0.10000E+01 volume 0.82500E+00 ppm1 1.139 ppm2 1.391
ASSI (
(( segid " " and resid 5 and name HB1 ))
)(
(( segid " " and resid 5 and name HG2 ))
)
5.000 5.000 0.000 peak 7628 weight 0.10000E+01 volume 0.67800E+00 ppm1 1.138 ppm2 0.922
ASSI (
(( segid " " and resid 5 and name HB1 ))
)(
(( segid " " and resid 6 and name HD2 ))
)
5.000 5.000 0.000 peak 7633 weight 0.10000E+01 volume 0.40400E+00 ppm1 1.137 ppm2 2.741
ASSI (
(( segid " " and resid 5 and name HB1 ))
)(
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)
5.000 5.000 0.000 peak 7627 weight 0.10000E+01 volume 0.79200E+00 ppm1 1.137 ppm2 0.029
ASSI (
(( segid " " and resid 5 and name HB2 ))
)(
(( segid " " and resid 5 and name HD2 ))
)
6.000 6.000 0.000 peak 7638 weight 0.10000E+01 volume 0.19000E+00 ppm1 0.228 ppm2 3.032
ASSI (
(( segid " " and resid 5 and name HB2 ))
)(
(( segid " " and resid 5 and name HG1 ))
)
5.000 5.000 0.000 peak 7630 weight 0.10000E+01 volume 0.48600E+00 ppm1 0.229 ppm2 1.392
ASSI (
(( segid " " and resid 5 and name HB2 ))
)(
(( segid " " and resid 5 and name HG2 ))
)
5.000 5.000 0.000 peak 7629 weight 0.10000E+01 volume 0.49000E+00 ppm1 0.232 ppm2 0.921
ASSI (
(( segid " " and resid 5 and name HB2 ))
)(
(( segid " " and resid 6 and name HD2 ))
)
6.000 6.000 0.000 peak 7634 weight 0.10000E+01 volume 0.27700E+00 ppm1 0.228 ppm2 2.745
ASSI (
(( segid " " and resid 5 and name HD1 ))
)(
(( segid " " and resid 4 and name HA ))
)
3.300 3.300 0.000 peak 5170 weight 0.10000E+01 volume 0.28530E+01 ppm1 3.464 ppm2 4.652
ASSI (
(( segid " " and resid 5 and name HD1 ))
)(
(( segid " " and resid 4 and name HB2 ))
)
3.300 3.300 0.000 peak 5487 weight 0.10000E+01 volume 0.15770E+01 ppm1 3.462 ppm2 1.795
ASSI (
(( segid " " and resid 5 and name HD1 ))
)(
(( segid " " and resid 5 and name HD2 ))
)
3.300 3.300 0.000 peak 7654 weight 0.10000E+01 volume 0.28610E+01 ppm1 3.470 ppm2 3.014
ASSI (
(( segid " " and resid 5 and name HD1 ))
)(
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)
5.000 5.000 0.000 peak 7656 weight 0.10000E+01 volume 0.81000E+00 ppm1 3.464 ppm2 7.212
ASSI (
(( segid " " and resid 5 and name HD1 ))
)(
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)
5.000 5.000 0.000 peak 7648 weight 0.10000E+01 volume 0.34400E+00 ppm1 3.466 ppm2 0.084
ASSI (
(( segid " " and resid 5 and name HD2 ))
)(
(( segid " " and resid 4 and name HA ))
)
5.000 5.000 0.000 peak 5171 weight 0.10000E+01 volume 0.13590E+01 ppm1 3.005 ppm2 4.653
ASSI (
(( segid " " and resid 5 and name HD2 ))
)(
(( segid " " and resid 4 and name HB1 ))
)
5.000 5.000 0.000 peak 5166 weight 0.10000E+01 volume 0.35300E+00 ppm1 3.003 ppm2 2.447
ASSI (
(( segid " " and resid 5 and name HD2 ))
)(
(( segid " " and resid 5 and name HG1 ))
)
5.000 5.000 0.000 peak 7653 weight 0.10000E+01 volume 0.77100E+00 ppm1 3.007 ppm2 1.388
ASSI (
(( segid " " and resid 5 and name HD2 ))
)(
(( segid " " and resid 5 and name HG2 ))
)
5.000 5.000 0.000 peak 7651 weight 0.10000E+01 volume 0.10210E+01 ppm1 3.009 ppm2 0.919
ASSI (
(( segid " " and resid 5 and name HD2 ))
)(
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)
5.000 5.000 0.000 peak 5167 weight 0.10000E+01 volume 0.56300E+00 ppm1 3.006 ppm2 7.212
ASSI (
(( segid " " and resid 5 and name HD2 ))
)(
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)
5.000 5.000 0.000 peak 7649 weight 0.10000E+01 volume 0.32300E+00 ppm1 3.008 ppm2 0.078
ASSI (
(( segid " " and resid 5 and name HG1 ))
)(
(( segid " " and resid 4 and name HA ))
)
5.000 5.000 0.000 peak 7646 weight 0.10000E+01 volume 0.70500E+00 ppm1 1.380 ppm2 4.643
ASSI (
(( segid " " and resid 5 and name HG1 ))
)(
(( segid " " and resid 5 and name HD1 ))
)
3.300 3.300 0.000 peak 7645 weight 0.10000E+01 volume 0.17270E+01 ppm1 1.380 ppm2 3.474
ASSI (
(( segid " " and resid 5 and name HG1 ))
)(
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)
3.300 3.300 0.000 peak 7642 weight 0.10000E+01 volume 0.22690E+01 ppm1 1.379 ppm2 0.086
ASSI (
(( segid " " and resid 5 and name HG2 ))
)(
(( segid " " and resid 5 and name HD1 ))
)
3.300 3.300 0.000 peak 5307 weight 0.10000E+01 volume 0.15260E+01 ppm1 0.912 ppm2 3.476
ASSI (
(( segid " " and resid 5 and name HG2 ))
)(
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)
5.000 5.000 0.000 peak 5486 weight 0.10000E+01 volume 0.12120E+01 ppm1 0.914 ppm2 0.083
ASSI (
(( segid " " and resid 6 and name HA ))
)(
(( segid " " and resid 7 and name HN ))
)
2.700 2.700 0.000 peak 5790 weight 0.10000E+01 volume 0.59290E+01 ppm1 4.309 ppm2 8.287
ASSI (
(( segid " " and resid 6 and name HB1 ))
)(
(( segid " " and resid 6 and name HA ))
)
3.300 3.300 0.000 peak 7664 weight 0.10000E+01 volume 0.17840E+01 ppm1 2.152 ppm2 4.321
ASSI (
(( segid " " and resid 6 and name HB1 ))
)(
(( segid " " and resid 6 and name HD1 ))
)
6.000 6.000 0.000 peak 7659 weight 0.10000E+01 volume 0.26900E+00 ppm1 2.149 ppm2 3.400
ASSI (
(( segid " " and resid 6 and name HB1 ))
)(
(( segid " " and resid 6 and name HD2 ))
)
6.000 6.000 0.000 peak 7661 weight 0.10000E+01 volume 0.22500E+00 ppm1 2.150 ppm2 2.746
ASSI (
(( segid " " and resid 6 and name HB1 ))
)(
(( segid " " and resid 7 and name HN ))
)
5.000 5.000 0.000 peak 5792 weight 0.10000E+01 volume 0.46000E+00 ppm1 2.148 ppm2 8.290
ASSI (
(( segid " " and resid 6 and name HB1 ))
)(
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)
5.000 5.000 0.000 peak 7663 weight 0.10000E+01 volume 0.30200E+00 ppm1 2.151 ppm2 0.076
ASSI (
(( segid " " and resid 6 and name HB2 ))
)(
(( segid " " and resid 6 and name HA ))
)
3.300 3.300 0.000 peak 7665 weight 0.10000E+01 volume 0.24940E+01 ppm1 1.641 ppm2 4.319
ASSI (
(( segid " " and resid 6 and name HB2 ))
)(
(( segid " " and resid 6 and name HD1 ))
)
5.000 5.000 0.000 peak 7660 weight 0.10000E+01 volume 0.95900E+00 ppm1 1.635 ppm2 3.409
ASSI (
(( segid " " and resid 6 and name HB2 ))
)(
(( segid " " and resid 6 and name HD2 ))
)
6.000 6.000 0.000 peak 7662 weight 0.10000E+01 volume 0.25600E+00 ppm1 1.636 ppm2 2.746
ASSI (
(( segid " " and resid 6 and name HB2 ))
)(
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)
5.000 5.000 0.000 peak 5506 weight 0.10000E+01 volume 0.37600E+00 ppm1 1.632 ppm2 0.079
ASSI (
(( segid " " and resid 6 and name HD1 ))
)(
(( segid " " and resid 5 and name HB2 ))
)
6.000 6.000 0.000 peak 7674 weight 0.10000E+01 volume 0.24000E+00 ppm1 3.383 ppm2 0.254
ASSI (
(( segid " " and resid 6 and name HD1 ))
)(
(( segid " " and resid 6 and name HD2 ))
)
5.000 5.000 0.000 peak 7680 weight 0.10000E+01 volume 0.14110E+01 ppm1 3.384 ppm2 2.731
ASSI (
(( segid " " and resid 6 and name HD1 ))
)(
(( segid " " and resid 6 and name HG1 ))
)
5.000 5.000 0.000 peak 7677 weight 0.10000E+01 volume 0.51800E+00 ppm1 3.385 ppm2 1.989
ASSI (
(( segid " " and resid 6 and name HD1 ))
)(
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)
5.000 5.000 0.000 peak 5493 weight 0.10000E+01 volume 0.45500E+00 ppm1 3.383 ppm2 0.027
ASSI (
(( segid " " and resid 6 and name HD1 ))
)(
(( segid " " and resid 54 and name HD1 ))
)
5.000 5.000 0.000 peak 7681 weight 0.10000E+01 volume 0.53700E+00 ppm1 3.384 ppm2 7.291
ASSI (
(( segid " " and resid 6 and name HD2 ))
)(
(( segid " " and resid 6 and name HG1 ))
)
5.000 5.000 0.000 peak 7678 weight 0.10000E+01 volume 0.45100E+00 ppm1 2.729 ppm2 1.992
ASSI (
(( segid " " and resid 6 and name HD2 ))
)(
(( segid " " and resid 6 and name HG2 ))
)
5.000 5.000 0.000 peak 7676 weight 0.10000E+01 volume 0.59000E+00 ppm1 2.730 ppm2 1.481
ASSI (
(( segid " " and resid 6 and name HD2 ))
)(
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)
5.000 5.000 0.000 peak 5496 weight 0.10000E+01 volume 0.48500E+00 ppm1 2.731 ppm2 0.018
ASSI (
(( segid " " and resid 6 and name HD2 ))
)(
(( segid " " and resid 54 and name HD1 ))
)
5.000 5.000 0.000 peak 7683 weight 0.10000E+01 volume 0.30600E+00 ppm1 2.729 ppm2 7.297
ASSI (
(( segid " " and resid 6 and name HG1 ))
)(
(( segid " " and resid 6 and name HA ))
)
5.000 5.000 0.000 peak 7670 weight 0.10000E+01 volume 0.44200E+00 ppm1 1.979 ppm2 4.329
ASSI (
(( segid " " and resid 6 and name HG1 ))
)(
(( segid " " and resid 6 and name HB2 ))
)
3.300 3.300 0.000 peak 7668 weight 0.10000E+01 volume 0.15830E+01 ppm1 1.979 ppm2 1.641
ASSI (
(( segid " " and resid 6 and name HG1 ))
)(
(( segid " " and resid 6 and name HG2 ))
)
2.700 2.700 0.000 peak 7666 weight 0.10000E+01 volume 0.37430E+01 ppm1 1.976 ppm2 1.484
ASSI (
(( segid " " and resid 6 and name HG1 ))
)(
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)
5.000 5.000 0.000 peak 5130 weight 0.10000E+01 volume 0.58800E+00 ppm1 1.977 ppm2 0.058
ASSI (
(( segid " " and resid 6 and name HG2 ))
)(
(( segid " " and resid 6 and name HD1 ))
)
3.300 3.300 0.000 peak 5492 weight 0.10000E+01 volume 0.22520E+01 ppm1 1.479 ppm2 3.409
ASSI (
(( segid " " and resid 6 and name HG2 ))
)(
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)
6.000 6.000 0.000 peak 7716 weight 0.10000E+01 volume 0.19000E+00 ppm1 1.472 ppm2 -0.296
ASSI (
(( segid " " and resid 7 and name HA ))
)(
(( segid " " and resid 7 and name HG23))
OR
(( segid " " and resid 7 and name HG22))
OR
(( segid " " and resid 7 and name HG21))
)
3.300 3.300 0.000 peak 7688 weight 0.10000E+01 volume 0.25170E+01 ppm1 3.819 ppm2 1.054
ASSI (
(( segid " " and resid 7 and name HA ))
)(
(( segid " " and resid 7 and name HN ))
)
5.000 5.000 0.000 peak 7685 weight 0.10000E+01 volume 0.86400E+00 ppm1 3.819 ppm2 8.290
ASSI (
(( segid " " and resid 7 and name HB ))
)(
(( segid " " and resid 7 and name HG23))
OR
(( segid " " and resid 7 and name HG22))
OR
(( segid " " and resid 7 and name HG21))
)
2.700 2.700 0.000 peak 7689 weight 0.10000E+01 volume 0.63540E+01 ppm1 3.871 ppm2 1.061
ASSI (
(( segid " " and resid 7 and name HB ))
)(
(( segid " " and resid 8 and name HN ))
)
5.000 5.000 0.000 peak 7691 weight 0.10000E+01 volume 0.64200E+00 ppm1 3.870 ppm2 8.430
ASSI (
(( segid " " and resid 8 and name HA ))
)(
(( segid " " and resid 7 and name HA ))
)
5.000 5.000 0.000 peak 4843 weight 0.10000E+01 volume 0.70500E+00 ppm1 4.354 ppm2 3.829
ASSI (
(( segid " " and resid 8 and name HA ))
)(
(( segid " " and resid 8 and name HB1 ))
)
5.000 5.000 0.000 peak 7693 weight 0.10000E+01 volume 0.75600E+00 ppm1 4.355 ppm2 1.248
ASSI (
(( segid " " and resid 8 and name HA ))
)(
(( segid " " and resid 8 and name HB2 ))
)
5.000 5.000 0.000 peak 7698 weight 0.10000E+01 volume 0.85100E+00 ppm1 4.359 ppm2 -0.070
ASSI (
(( segid " " and resid 8 and name HA ))
)(
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)
5.000 5.000 0.000 peak 7700 weight 0.10000E+01 volume 0.40600E+00 ppm1 4.354 ppm2 -0.282
ASSI (
(( segid " " and resid 8 and name HA ))
)(
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)
3.300 3.300 0.000 peak 7696 weight 0.10000E+01 volume 0.20760E+01 ppm1 4.358 ppm2 0.087
ASSI (
(( segid " " and resid 8 and name HA ))
)(
(( segid " " and resid 8 and name HN ))
)
5.000 5.000 0.000 peak 7692 weight 0.10000E+01 volume 0.91000E+00 ppm1 4.351 ppm2 8.432
ASSI (
(( segid " " and resid 8 and name HA ))
)(
(( segid " " and resid 9 and name HN ))
)
2.700 2.700 0.000 peak 4841 weight 0.10000E+01 volume 0.44310E+01 ppm1 4.351 ppm2 8.568
ASSI (
(( segid " " and resid 8 and name HA ))
)(
(( segid " " and resid 10 and name HN ))
)
6.000 6.000 0.000 peak 4842 weight 0.10000E+01 volume 0.27800E+00 ppm1 4.350 ppm2 5.810
ASSI (
(( segid " " and resid 8 and name HB1 ))
)(
(( segid " " and resid 8 and name HB2 ))
)
3.300 3.300 0.000 peak 5221 weight 0.10000E+01 volume 0.18470E+01 ppm1 1.234 ppm2 -0.083
ASSI (
(( segid " " and resid 8 and name HB1 ))
)(
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)
5.000 5.000 0.000 peak 7702 weight 0.10000E+01 volume 0.10780E+01 ppm1 1.237 ppm2 -0.282
ASSI (
(( segid " " and resid 8 and name HB1 ))
)(
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)
5.000 5.000 0.000 peak 7705 weight 0.10000E+01 volume 0.87300E+00 ppm1 1.233 ppm2 0.077
ASSI (
(( segid " " and resid 8 and name HB1 ))
)(
(( segid " " and resid 8 and name HG ))
)
5.000 5.000 0.000 peak 5223 weight 0.10000E+01 volume 0.11120E+01 ppm1 1.234 ppm2 1.039
ASSI (
(( segid " " and resid 8 and name HB1 ))
)(
(( segid " " and resid 8 and name HN ))
)
5.000 5.000 0.000 peak 5227 weight 0.10000E+01 volume 0.49800E+00 ppm1 1.234 ppm2 8.429
ASSI (
(( segid " " and resid 8 and name HB1 ))
)(
(( segid " " and resid 11 and name HN ))
)
5.000 5.000 0.000 peak 5226 weight 0.10000E+01 volume 0.60500E+00 ppm1 1.232 ppm2 6.465
ASSI (
(( segid " " and resid 8 and name HB2 ))
)(
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)
5.000 5.000 0.000 peak 7704 weight 0.10000E+01 volume 0.53700E+00 ppm1 -0.091 ppm2 -0.285
ASSI (
(( segid " " and resid 8 and name HB2 ))
)(
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)
5.000 5.000 0.000 peak 7707 weight 0.10000E+01 volume 0.58300E+00 ppm1 -0.090 ppm2 0.078
ASSI (
(( segid " " and resid 8 and name HB2 ))
)(
(( segid " " and resid 8 and name HG ))
)
5.000 5.000 0.000 peak 5228 weight 0.10000E+01 volume 0.41300E+00 ppm1 -0.092 ppm2 1.043
ASSI (
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)(
(( segid " " and resid 6 and name HG1 ))
)
6.000 6.000 0.000 peak 7718 weight 0.10000E+01 volume 0.75000E-01 ppm1 -0.293 ppm2 1.999
ASSI (
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)(
(( segid " " and resid 8 and name HG ))
)
5.000 5.000 0.000 peak 5500 weight 0.10000E+01 volume 0.10200E+01 ppm1 -0.295 ppm2 1.033
ASSI (
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)(
(( segid " " and resid 9 and name HN ))
)
6.000 6.000 0.000 peak 6282 weight 0.10000E+01 volume 0.10500E+00 ppm1 -0.296 ppm2 8.568
ASSI (
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)(
(( segid " " and resid 10 and name HB1 ))
)
6.000 6.000 0.000 peak 7719 weight 0.10000E+01 volume 0.82000E-01 ppm1 -0.295 ppm2 2.516
ASSI (
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)(
(( segid " " and resid 10 and name HE2 ))
OR
(( segid " " and resid 10 and name HE1 ))
)
5.000 5.000 0.000 peak 7724 weight 0.10000E+01 volume 0.51500E+00 ppm1 -0.296 ppm2 6.303
ASSI (
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)(
(( segid " " and resid 10 and name HN ))
)
6.000 6.000 0.000 peak 7721 weight 0.10000E+01 volume 0.13400E+00 ppm1 -0.296 ppm2 5.803
ASSI (
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)(
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)
5.000 5.000 0.000 peak 7725 weight 0.10000E+01 volume 0.37700E+00 ppm1 -0.294 ppm2 6.512
ASSI (
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)(
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)
5.000 5.000 0.000 peak 7722 weight 0.10000E+01 volume 0.56300E+00 ppm1 -0.295 ppm2 6.221
ASSI (
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)(
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
)
6.000 6.000 0.000 peak 7726 weight 0.10000E+01 volume 0.27300E+00 ppm1 -0.294 ppm2 6.662
ASSI (
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)(
(( segid " " and resid 6 and name HD1 ))
)
6.000 6.000 0.000 peak 7732 weight 0.10000E+01 volume 0.11900E+00 ppm1 0.072 ppm2 3.407
ASSI (
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)(
(( segid " " and resid 6 and name HD2 ))
)
6.000 6.000 0.000 peak 7731 weight 0.10000E+01 volume 0.14900E+00 ppm1 0.074 ppm2 2.751
ASSI (
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)(
(( segid " " and resid 6 and name HG2 ))
)
5.000 5.000 0.000 peak 5504 weight 0.10000E+01 volume 0.66400E+00 ppm1 0.072 ppm2 1.479
ASSI (
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)(
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)
3.300 3.300 0.000 peak 7730 weight 0.10000E+01 volume 0.29870E+01 ppm1 0.072 ppm2 -0.284
ASSI (
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)(
(( segid " " and resid 8 and name HG ))
)
3.300 3.300 0.000 peak 7711 weight 0.10000E+01 volume 0.19780E+01 ppm1 0.072 ppm2 1.032
ASSI (
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)(
(( segid " " and resid 8 and name HN ))
)
5.000 5.000 0.000 peak 7741 weight 0.10000E+01 volume 0.35900E+00 ppm1 0.071 ppm2 8.431
ASSI (
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)(
(( segid " " and resid 9 and name HN ))
)
5.000 5.000 0.000 peak 5804 weight 0.10000E+01 volume 0.49800E+00 ppm1 0.071 ppm2 8.567
ASSI (
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)(
(( segid " " and resid 10 and name HN ))
)
6.000 6.000 0.000 peak 7735 weight 0.10000E+01 volume 0.13400E+00 ppm1 0.072 ppm2 5.801
ASSI (
(( segid " " and resid 8 and name HD23))
OR
(( segid " " and resid 8 and name HD22))
OR
(( segid " " and resid 8 and name HD21))
)(
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
)
5.000 5.000 0.000 peak 7737 weight 0.10000E+01 volume 0.75000E+00 ppm1 0.071 ppm2 6.652
ASSI (
(( segid " " and resid 8 and name HG ))
)(
(( segid " " and resid 8 and name HA ))
)
3.300 3.300 0.000 peak 7714 weight 0.10000E+01 volume 0.16010E+01 ppm1 1.031 ppm2 4.345
ASSI (
(( segid " " and resid 9 and name HA ))
)(
(( segid " " and resid 9 and name HB1 ))
)
3.300 3.300 0.000 peak 7745 weight 0.10000E+01 volume 0.16370E+01 ppm1 4.028 ppm2 3.924
ASSI (
(( segid " " and resid 9 and name HA ))
)(
(( segid " " and resid 9 and name HB2 ))
)
3.300 3.300 0.000 peak 7744 weight 0.10000E+01 volume 0.16600E+01 ppm1 4.028 ppm2 3.803
ASSI (
(( segid " " and resid 9 and name HA ))
)(
(( segid " " and resid 9 and name HN ))
)
5.000 5.000 0.000 peak 6285 weight 0.10000E+01 volume 0.51800E+00 ppm1 4.028 ppm2 8.568
ASSI (
(( segid " " and resid 9 and name HB1 ))
)(
(( segid " " and resid 9 and name HB2 ))
)
2.700 2.700 0.000 peak 7751 weight 0.10000E+01 volume 0.10476E+02 ppm1 3.934 ppm2 3.809
ASSI (
(( segid " " and resid 9 and name HB1 ))
)(
(( segid " " and resid 9 and name HN ))
)
5.000 5.000 0.000 peak 7748 weight 0.10000E+01 volume 0.52600E+00 ppm1 3.932 ppm2 8.569
ASSI (
(( segid " " and resid 9 and name HB2 ))
)(
(( segid " " and resid 9 and name HN ))
)
5.000 5.000 0.000 peak 7750 weight 0.10000E+01 volume 0.79700E+00 ppm1 3.804 ppm2 8.570
ASSI (
(( segid " " and resid 10 and name HA ))
)(
(( segid " " and resid 10 and name HB1 ))
)
5.000 5.000 0.000 peak 7754 weight 0.10000E+01 volume 0.47700E+00 ppm1 3.520 ppm2 2.518
ASSI (
(( segid " " and resid 10 and name HA ))
)(
(( segid " " and resid 10 and name HB2 ))
)
5.000 5.000 0.000 peak 7752 weight 0.10000E+01 volume 0.46200E+00 ppm1 3.520 ppm2 2.164
ASSI (
(( segid " " and resid 10 and name HB1 ))
)(
(( segid " " and resid 10 and name HB2 ))
)
5.000 5.000 0.000 peak 5236 weight 0.10000E+01 volume 0.12660E+01 ppm1 2.500 ppm2 2.158
ASSI (
(( segid " " and resid 10 and name HB1 ))
)(
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)
5.000 5.000 0.000 peak 5231 weight 0.10000E+01 volume 0.12440E+01 ppm1 2.503 ppm2 6.689
ASSI (
(( segid " " and resid 10 and name HB2 ))
)(
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)
5.000 5.000 0.000 peak 5921 weight 0.10000E+01 volume 0.14260E+01 ppm1 2.145 ppm2 6.690
ASSI (
(( segid " " and resid 10 and name HD2 ))
OR
(( segid " " and resid 10 and name HD1 ))
)(
(( segid " " and resid 10 and name HB1 ))
)
5.000 5.000 0.000 peak 6351 weight 0.10000E+01 volume 0.73100E+00 ppm1 6.654 ppm2 2.514
ASSI (
(( segid " " and resid 10 and name HD2 ))
OR
(( segid " " and resid 10 and name HD1 ))
)(
(( segid " " and resid 10 and name HB2 ))
)
5.000 5.000 0.000 peak 6406 weight 0.10000E+01 volume 0.51800E+00 ppm1 6.654 ppm2 2.157
ASSI (
(( segid " " and resid 10 and name HD2 ))
OR
(( segid " " and resid 10 and name HD1 ))
)(
(( segid " " and resid 10 and name HE2 ))
OR
(( segid " " and resid 10 and name HE1 ))
)
5.000 5.000 0.000 peak 5920 weight 0.10000E+01 volume 0.79000E+00 ppm1 6.651 ppm2 6.283
ASSI (
(( segid " " and resid 10 and name HD2 ))
OR
(( segid " " and resid 10 and name HD1 ))
)(
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)
5.000 5.000 0.000 peak 7480 weight 0.10000E+01 volume 0.69500E+00 ppm1 6.655 ppm2 1.240
ASSI (
(( segid " " and resid 10 and name HD2 ))
OR
(( segid " " and resid 10 and name HD1 ))
)(
(( segid " " and resid 60 and name HB2 ))
OR
(( segid " " and resid 60 and name HB1 ))
)
5.000 5.000 0.000 peak 7479 weight 0.10000E+01 volume 0.58800E+00 ppm1 6.655 ppm2 3.004
ASSI (
(( segid " " and resid 10 and name HZ ))
)(
(( segid " " and resid 10 and name HE2 ))
OR
(( segid " " and resid 10 and name HE1 ))
)
5.000 5.000 0.000 peak 7482 weight 0.10000E+01 volume 0.71700E+00 ppm1 6.991 ppm2 6.304
ASSI (
(( segid " " and resid 11 and name HA ))
)(
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)
3.300 3.300 0.000 peak 7756 weight 0.10000E+01 volume 0.20560E+01 ppm1 4.906 ppm2 1.227
ASSI (
(( segid " " and resid 11 and name HA ))
)(
(( segid " " and resid 11 and name HN ))
)
5.000 5.000 0.000 peak 4852 weight 0.10000E+01 volume 0.42400E+00 ppm1 4.903 ppm2 6.462
ASSI (
(( segid " " and resid 11 and name HA ))
)(
(( segid " " and resid 33 and name HA ))
)
5.000 5.000 0.000 peak 4854 weight 0.10000E+01 volume 0.86800E+00 ppm1 4.906 ppm2 5.102
ASSI (
(( segid " " and resid 11 and name HA ))
)(
(( segid " " and resid 34 and name HD13))
OR
(( segid " " and resid 34 and name HD12))
OR
(( segid " " and resid 34 and name HD11))
)
5.000 5.000 0.000 peak 4850 weight 0.10000E+01 volume 0.33500E+00 ppm1 4.901 ppm2 0.560
ASSI (
(( segid " " and resid 11 and name HA ))
)(
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)
5.000 5.000 0.000 peak 4848 weight 0.10000E+01 volume 0.34400E+00 ppm1 4.900 ppm2 0.824
ASSI (
(( segid " " and resid 11 and name HA ))
)(
(( segid " " and resid 34 and name HG ))
)
5.000 5.000 0.000 peak 4847 weight 0.10000E+01 volume 0.10740E+01 ppm1 4.900 ppm2 1.006
ASSI (
(( segid " " and resid 11 and name HA ))
)(
(( segid " " and resid 34 and name HN ))
)
5.000 5.000 0.000 peak 4853 weight 0.10000E+01 volume 0.10090E+01 ppm1 4.903 ppm2 7.397
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)(
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)
5.000 5.000 0.000 peak 7766 weight 0.10000E+01 volume 0.12250E+01 ppm1 1.227 ppm2 -0.280
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)(
(( segid " " and resid 31 and name HB1 ))
)
3.300 3.300 0.000 peak 5279 weight 0.10000E+01 volume 0.16460E+01 ppm1 1.226 ppm2 2.657
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)(
(( segid " " and resid 31 and name HB2 ))
)
5.000 5.000 0.000 peak 5281 weight 0.10000E+01 volume 0.10480E+01 ppm1 1.223 ppm2 2.504
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)(
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)
3.300 3.300 0.000 peak 7759 weight 0.10000E+01 volume 0.26700E+01 ppm1 1.225 ppm2 6.508
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)(
(( segid " " and resid 32 and name HN ))
)
5.000 5.000 0.000 peak 6385 weight 0.10000E+01 volume 0.43100E+00 ppm1 1.223 ppm2 8.936
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)(
(( segid " " and resid 33 and name HA ))
)
5.000 5.000 0.000 peak 4799 weight 0.10000E+01 volume 0.11050E+01 ppm1 1.225 ppm2 5.096
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)(
(( segid " " and resid 34 and name HN ))
)
5.000 5.000 0.000 peak 7758 weight 0.10000E+01 volume 0.59800E+00 ppm1 1.224 ppm2 7.399
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)(
(( segid " " and resid 59 and name HE2 ))
OR
(( segid " " and resid 59 and name HE1 ))
)
5.000 5.000 0.000 peak 7383 weight 0.10000E+01 volume 0.14960E+01 ppm1 1.225 ppm2 6.905
ASSI (
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
OR
(( segid " " and resid 12 and name HB1 ))
)(
(( segid " " and resid 11 and name HA ))
)
6.000 6.000 0.000 peak 7772 weight 0.10000E+01 volume 0.28600E+00 ppm1 1.163 ppm2 4.905
ASSI (
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
OR
(( segid " " and resid 12 and name HB1 ))
)(
(( segid " " and resid 12 and name HA ))
)
3.300 3.300 0.000 peak 7773 weight 0.10000E+01 volume 0.24120E+01 ppm1 1.164 ppm2 4.607
ASSI (
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
OR
(( segid " " and resid 12 and name HB1 ))
)(
(( segid " " and resid 12 and name HN ))
)
5.000 5.000 0.000 peak 6191 weight 0.10000E+01 volume 0.12240E+01 ppm1 1.162 ppm2 8.628
ASSI (
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
OR
(( segid " " and resid 12 and name HB1 ))
)(
(( segid " " and resid 13 and name HD1 ))
)
2.700 2.700 0.000 peak 5509 weight 0.10000E+01 volume 0.31440E+01 ppm1 1.162 ppm2 3.424
ASSI (
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
OR
(( segid " " and resid 12 and name HB1 ))
)(
(( segid " " and resid 13 and name HD2 ))
)
3.300 3.300 0.000 peak 5511 weight 0.10000E+01 volume 0.20860E+01 ppm1 1.161 ppm2 3.264
ASSI (
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
OR
(( segid " " and resid 12 and name HB1 ))
)(
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)
6.000 6.000 0.000 peak 7769 weight 0.10000E+01 volume 0.19700E+00 ppm1 1.163 ppm2 6.504
ASSI (
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
OR
(( segid " " and resid 12 and name HB1 ))
)(
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)
6.000 6.000 0.000 peak 7770 weight 0.10000E+01 volume 0.20200E+00 ppm1 1.164 ppm2 6.235
ASSI (
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
OR
(( segid " " and resid 12 and name HB1 ))
)(
(( segid " " and resid 32 and name HN ))
)
5.000 5.000 0.000 peak 7767 weight 0.10000E+01 volume 0.59500E+00 ppm1 1.162 ppm2 8.931
ASSI (
(( segid " " and resid 13 and name HA ))
)(
(( segid " " and resid 13 and name HB1 ))
)
5.000 5.000 0.000 peak 7774 weight 0.10000E+01 volume 0.13040E+01 ppm1 3.117 ppm2 1.633
ASSI (
(( segid " " and resid 13 and name HA ))
)(
(( segid " " and resid 13 and name HB2 ))
)
5.000 5.000 0.000 peak 7775 weight 0.10000E+01 volume 0.88400E+00 ppm1 3.118 ppm2 1.538
ASSI (
(( segid " " and resid 13 and name HA ))
)(
(( segid " " and resid 14 and name HN ))
)
3.300 3.300 0.000 peak 4856 weight 0.10000E+01 volume 0.16280E+01 ppm1 3.116 ppm2 8.221
ASSI (
(( segid " " and resid 13 and name HA ))
)(
(( segid " " and resid 31 and name HA ))
)
5.000 5.000 0.000 peak 4857 weight 0.10000E+01 volume 0.92700E+00 ppm1 3.117 ppm2 4.810
ASSI (
(( segid " " and resid 13 and name HB1 ))
)(
(( segid " " and resid 13 and name HD2 ))
)
5.000 5.000 0.000 peak 7780 weight 0.10000E+01 volume 0.80000E+00 ppm1 1.635 ppm2 3.269
ASSI (
(( segid " " and resid 13 and name HB2 ))
)(
(( segid " " and resid 13 and name HD1 ))
)
5.000 5.000 0.000 peak 7782 weight 0.10000E+01 volume 0.64200E+00 ppm1 1.524 ppm2 3.424
ASSI (
(( segid " " and resid 13 and name HB2 ))
)(
(( segid " " and resid 13 and name HD2 ))
)
5.000 5.000 0.000 peak 7781 weight 0.10000E+01 volume 0.63200E+00 ppm1 1.525 ppm2 3.268
ASSI (
(( segid " " and resid 13 and name HD1 ))
)(
(( segid " " and resid 12 and name HA ))
)
3.300 3.300 0.000 peak 5512 weight 0.10000E+01 volume 0.21550E+01 ppm1 3.409 ppm2 4.621
ASSI (
(( segid " " and resid 13 and name HD1 ))
)(
(( segid " " and resid 13 and name HB1 ))
)
3.300 3.300 0.000 peak 7783 weight 0.10000E+01 volume 0.18280E+01 ppm1 3.410 ppm2 1.622
ASSI (
(( segid " " and resid 13 and name HD1 ))
)(
(( segid " " and resid 13 and name HD2 ))
)
2.700 2.700 0.000 peak 7787 weight 0.10000E+01 volume 0.30820E+01 ppm1 3.410 ppm2 3.270
ASSI (
(( segid " " and resid 13 and name HD1 ))
)(
(( segid " " and resid 13 and name HG2 ))
OR
(( segid " " and resid 13 and name HG1 ))
)
3.300 3.300 0.000 peak 7785 weight 0.10000E+01 volume 0.16820E+01 ppm1 3.409 ppm2 1.811
ASSI (
(( segid " " and resid 13 and name HD1 ))
)(
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)
6.000 6.000 0.000 peak 7789 weight 0.10000E+01 volume 0.24400E+00 ppm1 3.409 ppm2 6.233
ASSI (
(( segid " " and resid 13 and name HD2 ))
)(
(( segid " " and resid 12 and name HA ))
)
5.000 5.000 0.000 peak 5513 weight 0.10000E+01 volume 0.13750E+01 ppm1 3.262 ppm2 4.618
ASSI (
(( segid " " and resid 13 and name HD2 ))
)(
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
OR
(( segid " " and resid 12 and name HB1 ))
)
5.000 5.000 0.000 peak 5510 weight 0.10000E+01 volume 0.12530E+01 ppm1 3.264 ppm2 1.176
ASSI (
(( segid " " and resid 13 and name HD2 ))
)(
(( segid " " and resid 13 and name HG2 ))
OR
(( segid " " and resid 13 and name HG1 ))
)
5.000 5.000 0.000 peak 7786 weight 0.10000E+01 volume 0.71600E+00 ppm1 3.263 ppm2 1.799
ASSI (
(( segid " " and resid 13 and name HD2 ))
)(
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)
6.000 6.000 0.000 peak 7792 weight 0.10000E+01 volume 0.22400E+00 ppm1 3.264 ppm2 6.227
ASSI (
(( segid " " and resid 14 and name HA ))
)(
(( segid " " and resid 14 and name HB2 ))
)
5.000 5.000 0.000 peak 7793 weight 0.10000E+01 volume 0.12450E+01 ppm1 4.085 ppm2 1.573
ASSI (
(( segid " " and resid 14 and name HA ))
)(
(( segid " " and resid 14 and name HG2 ))
OR
(( segid " " and resid 14 and name HG1 ))
)
5.000 5.000 0.000 peak 7794 weight 0.10000E+01 volume 0.11770E+01 ppm1 4.085 ppm2 2.251
ASSI (
(( segid " " and resid 14 and name HA ))
)(
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)
5.000 5.000 0.000 peak 4859 weight 0.10000E+01 volume 0.42800E+00 ppm1 4.082 ppm2 1.105
ASSI (
(( segid " " and resid 14 and name HB1 ))
)(
(( segid " " and resid 14 and name HA ))
)
5.000 5.000 0.000 peak 5243 weight 0.10000E+01 volume 0.13000E+01 ppm1 1.851 ppm2 4.095
ASSI (
(( segid " " and resid 14 and name HB1 ))
)(
(( segid " " and resid 14 and name HN ))
)
5.000 5.000 0.000 peak 6199 weight 0.10000E+01 volume 0.88200E+00 ppm1 1.852 ppm2 8.216
ASSI (
(( segid " " and resid 14 and name HB2 ))
)(
(( segid " " and resid 14 and name HB1 ))
)
2.700 2.700 0.000 peak 7795 weight 0.10000E+01 volume 0.77510E+01 ppm1 1.559 ppm2 1.861
ASSI (
(( segid " " and resid 14 and name HG2 ))
OR
(( segid " " and resid 14 and name HG1 ))
)(
(( segid " " and resid 14 and name HN ))
)
5.000 5.000 0.000 peak 6201 weight 0.10000E+01 volume 0.75600E+00 ppm1 2.238 ppm2 8.216
ASSI (
(( segid " " and resid 14 and name HG2 ))
OR
(( segid " " and resid 14 and name HG1 ))
)(
(( segid " " and resid 31 and name HA ))
)
5.000 5.000 0.000 peak 4915 weight 0.10000E+01 volume 0.35300E+00 ppm1 2.239 ppm2 4.794
ASSI (
(( segid " " and resid 14 and name HG2 ))
OR
(( segid " " and resid 14 and name HG1 ))
)(
(( segid " " and resid 32 and name HB ))
)
5.000 5.000 0.000 peak 5268 weight 0.10000E+01 volume 0.81400E+00 ppm1 2.238 ppm2 3.953
ASSI (
(( segid " " and resid 14 and name HG2 ))
OR
(( segid " " and resid 14 and name HG1 ))
)(
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)
5.000 5.000 0.000 peak 5514 weight 0.10000E+01 volume 0.12980E+01 ppm1 2.237 ppm2 1.114
ASSI (
(( segid " " and resid 15 and name HB1 ))
)(
(( segid " " and resid 14 and name HB2 ))
)
5.000 5.000 0.000 peak 5233 weight 0.10000E+01 volume 0.45400E+00 ppm1 2.692 ppm2 1.579
ASSI (
(( segid " " and resid 15 and name HB1 ))
)(
(( segid " " and resid 15 and name HA ))
)
3.300 3.300 0.000 peak 7802 weight 0.10000E+01 volume 0.18990E+01 ppm1 2.692 ppm2 4.563
ASSI (
(( segid " " and resid 15 and name HB1 ))
)(
(( segid " " and resid 16 and name HN ))
)
5.000 5.000 0.000 peak 5826 weight 0.10000E+01 volume 0.44000E+00 ppm1 2.692 ppm2 7.806
ASSI (
(( segid " " and resid 15 and name HB2 ))
)(
(( segid " " and resid 14 and name HB2 ))
)
5.000 5.000 0.000 peak 7804 weight 0.10000E+01 volume 0.41200E+00 ppm1 2.480 ppm2 1.576
ASSI (
(( segid " " and resid 15 and name HB2 ))
)(
(( segid " " and resid 15 and name HA ))
)
5.000 5.000 0.000 peak 7803 weight 0.10000E+01 volume 0.14290E+01 ppm1 2.480 ppm2 4.565
ASSI (
(( segid " " and resid 15 and name HB2 ))
)(
(( segid " " and resid 16 and name HN ))
)
6.000 6.000 0.000 peak 7801 weight 0.10000E+01 volume 0.27900E+00 ppm1 2.477 ppm2 7.815
ASSI (
(( segid " " and resid 16 and name HA ))
)(
(( segid " " and resid 16 and name HB ))
)
3.300 3.300 0.000 peak 7809 weight 0.10000E+01 volume 0.16240E+01 ppm1 4.111 ppm2 1.907
ASSI (
(( segid " " and resid 16 and name HA ))
)(
(( segid " " and resid 16 and name HG11))
)
5.000 5.000 0.000 peak 7808 weight 0.10000E+01 volume 0.48100E+00 ppm1 4.113 ppm2 1.355
ASSI (
(( segid " " and resid 16 and name HA ))
)(
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)
3.300 3.300 0.000 peak 7806 weight 0.10000E+01 volume 0.24740E+01 ppm1 4.114 ppm2 0.836
ASSI (
(( segid " " and resid 16 and name HA ))
)(
(( segid " " and resid 17 and name HN ))
)
3.300 3.300 0.000 peak 6215 weight 0.10000E+01 volume 0.17270E+01 ppm1 4.113 ppm2 8.199
ASSI (
(( segid " " and resid 16 and name HB ))
)(
(( segid " " and resid 16 and name HG11))
)
5.000 5.000 0.000 peak 7814 weight 0.10000E+01 volume 0.13240E+01 ppm1 1.897 ppm2 1.360
ASSI (
(( segid " " and resid 16 and name HB ))
)(
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)
2.700 2.700 0.000 peak 7812 weight 0.10000E+01 volume 0.41910E+01 ppm1 1.897 ppm2 0.827
ASSI (
(( segid " " and resid 16 and name HB ))
)(
(( segid " " and resid 17 and name HN ))
)
5.000 5.000 0.000 peak 5832 weight 0.10000E+01 volume 0.91000E+00 ppm1 1.895 ppm2 8.204
ASSI (
(( segid " " and resid 16 and name HD13))
OR
(( segid " " and resid 16 and name HD12))
OR
(( segid " " and resid 16 and name HD11))
)(
(( segid " " and resid 16 and name HA ))
)
5.000 5.000 0.000 peak 7825 weight 0.10000E+01 volume 0.51800E+00 ppm1 0.776 ppm2 4.127
ASSI (
(( segid " " and resid 16 and name HD13))
OR
(( segid " " and resid 16 and name HD12))
OR
(( segid " " and resid 16 and name HD11))
)(
(( segid " " and resid 16 and name HB ))
)
5.000 5.000 0.000 peak 7823 weight 0.10000E+01 volume 0.13980E+01 ppm1 0.778 ppm2 1.915
ASSI (
(( segid " " and resid 16 and name HD13))
OR
(( segid " " and resid 16 and name HD12))
OR
(( segid " " and resid 16 and name HD11))
)(
(( segid " " and resid 16 and name HN ))
)
5.000 5.000 0.000 peak 7828 weight 0.10000E+01 volume 0.31500E+00 ppm1 0.775 ppm2 7.809
ASSI (
(( segid " " and resid 16 and name HD13))
OR
(( segid " " and resid 16 and name HD12))
OR
(( segid " " and resid 16 and name HD11))
)(
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)
5.000 5.000 0.000 peak 7826 weight 0.10000E+01 volume 0.48300E+00 ppm1 0.776 ppm2 7.213
ASSI (
(( segid " " and resid 16 and name HG11))
)(
(( segid " " and resid 16 and name HN ))
)
5.000 5.000 0.000 peak 7820 weight 0.10000E+01 volume 0.14150E+01 ppm1 1.341 ppm2 7.813
ASSI (
(( segid " " and resid 16 and name HG11))
)(
(( segid " " and resid 17 and name HN ))
)
5.000 5.000 0.000 peak 6213 weight 0.10000E+01 volume 0.90700E+00 ppm1 1.341 ppm2 8.196
ASSI (
(( segid " " and resid 16 and name HG12))
)(
(( segid " " and resid 16 and name HA ))
)
5.000 5.000 0.000 peak 7821 weight 0.10000E+01 volume 0.73400E+00 ppm1 1.090 ppm2 4.125
ASSI (
(( segid " " and resid 16 and name HG12))
)(
(( segid " " and resid 16 and name HN ))
)
5.000 5.000 0.000 peak 7819 weight 0.10000E+01 volume 0.88300E+00 ppm1 1.090 ppm2 7.814
ASSI (
(( segid " " and resid 16 and name HG12))
)(
(( segid " " and resid 17 and name HN ))
)
5.000 5.000 0.000 peak 7818 weight 0.10000E+01 volume 0.34500E+00 ppm1 1.090 ppm2 8.196
ASSI (
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)(
(( segid " " and resid 16 and name HN ))
)
5.000 5.000 0.000 peak 7834 weight 0.10000E+01 volume 0.11100E+01 ppm1 0.828 ppm2 7.818
ASSI (
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)(
(( segid " " and resid 17 and name HN ))
)
5.000 5.000 0.000 peak 5834 weight 0.10000E+01 volume 0.82100E+00 ppm1 0.826 ppm2 8.197
ASSI (
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)(
(( segid " " and resid 18 and name HN ))
)
5.000 5.000 0.000 peak 7835 weight 0.10000E+01 volume 0.37300E+00 ppm1 0.827 ppm2 8.055
ASSI (
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)(
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)
6.000 6.000 0.000 peak 7833 weight 0.10000E+01 volume 0.16000E+00 ppm1 0.825 ppm2 7.296
ASSI (
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)(
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)
5.000 5.000 0.000 peak 7831 weight 0.10000E+01 volume 0.36500E+00 ppm1 0.828 ppm2 7.207
ASSI (
(( segid " " and resid 17 and name HA ))
)(
(( segid " " and resid 17 and name HG23))
OR
(( segid " " and resid 17 and name HG22))
OR
(( segid " " and resid 17 and name HG21))
)
2.700 2.700 0.000 peak 7836 weight 0.10000E+01 volume 0.41490E+01 ppm1 4.338 ppm2 1.148
ASSI (
(( segid " " and resid 17 and name HA ))
)(
(( segid " " and resid 18 and name HN ))
)
2.700 2.700 0.000 peak 6222 weight 0.10000E+01 volume 0.38490E+01 ppm1 4.337 ppm2 8.055
ASSI (
(( segid " " and resid 17 and name HB ))
)(
(( segid " " and resid 17 and name HN ))
)
5.000 5.000 0.000 peak 7837 weight 0.10000E+01 volume 0.10850E+01 ppm1 4.171 ppm2 8.209
ASSI (
(( segid " " and resid 17 and name HB ))
)(
(( segid " " and resid 18 and name HD23))
OR
(( segid " " and resid 18 and name HD22))
OR
(( segid " " and resid 18 and name HD21))
)
6.000 6.000 0.000 peak 7839 weight 0.10000E+01 volume 0.28900E+00 ppm1 4.169 ppm2 0.867
ASSI (
(( segid " " and resid 17 and name HB ))
)(
(( segid " " and resid 18 and name HN ))
)
5.000 5.000 0.000 peak 5836 weight 0.10000E+01 volume 0.83300E+00 ppm1 4.169 ppm2 8.070
ASSI (
(( segid " " and resid 18 and name HA ))
)(
(( segid " " and resid 18 and name HB2 ))
)
3.300 3.300 0.000 peak 7841 weight 0.10000E+01 volume 0.17010E+01 ppm1 4.413 ppm2 1.628
ASSI (
(( segid " " and resid 18 and name HA ))
)(
(( segid " " and resid 18 and name HN ))
)
2.700 2.700 0.000 peak 6226 weight 0.10000E+01 volume 0.32790E+01 ppm1 4.411 ppm2 8.083
ASSI (
(( segid " " and resid 18 and name HB1 ))
)(
(( segid " " and resid 18 and name HA ))
)
3.300 3.300 0.000 peak 7843 weight 0.10000E+01 volume 0.24020E+01 ppm1 1.692 ppm2 4.420
ASSI (
(( segid " " and resid 18 and name HB1 ))
)(
(( segid " " and resid 18 and name HD23))
OR
(( segid " " and resid 18 and name HD22))
OR
(( segid " " and resid 18 and name HD21))
)
2.700 2.700 0.000 peak 7851 weight 0.10000E+01 volume 0.47610E+01 ppm1 1.697 ppm2 0.871
ASSI (
(( segid " " and resid 18 and name HB1 ))
)(
(( segid " " and resid 20 and name HN ))
)
6.000 6.000 0.000 peak 7846 weight 0.10000E+01 volume 0.27700E+00 ppm1 1.690 ppm2 7.674
ASSI (
(( segid " " and resid 18 and name HB2 ))
)(
(( segid " " and resid 18 and name HD13))
OR
(( segid " " and resid 18 and name HD12))
OR
(( segid " " and resid 18 and name HD11))
)
2.700 2.700 0.000 peak 7850 weight 0.10000E+01 volume 0.44690E+01 ppm1 1.636 ppm2 0.878
ASSI (
(( segid " " and resid 18 and name HB2 ))
)(
(( segid " " and resid 20 and name HN ))
)
6.000 6.000 0.000 peak 7847 weight 0.10000E+01 volume 0.28000E+00 ppm1 1.639 ppm2 7.677
ASSI (
(( segid " " and resid 18 and name HD13))
OR
(( segid " " and resid 18 and name HD12))
OR
(( segid " " and resid 18 and name HD11))
)(
(( segid " " and resid 18 and name HA ))
)
5.000 5.000 0.000 peak 7859 weight 0.10000E+01 volume 0.42100E+00 ppm1 0.888 ppm2 4.435
ASSI (
(( segid " " and resid 18 and name HD13))
OR
(( segid " " and resid 18 and name HD12))
OR
(( segid " " and resid 18 and name HD11))
)(
(( segid " " and resid 19 and name HN ))
)
5.000 5.000 0.000 peak 7862 weight 0.10000E+01 volume 0.31900E+00 ppm1 0.889 ppm2 8.082
ASSI (
(( segid " " and resid 18 and name HD13))
OR
(( segid " " and resid 18 and name HD12))
OR
(( segid " " and resid 18 and name HD11))
)(
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)
5.000 5.000 0.000 peak 7860 weight 0.10000E+01 volume 0.53200E+00 ppm1 0.888 ppm2 7.209
ASSI (
(( segid " " and resid 18 and name HD23))
OR
(( segid " " and resid 18 and name HD22))
OR
(( segid " " and resid 18 and name HD21))
)(
(( segid " " and resid 17 and name HN ))
)
6.000 6.000 0.000 peak 7855 weight 0.10000E+01 volume 0.14800E+00 ppm1 0.852 ppm2 8.192
ASSI (
(( segid " " and resid 18 and name HD23))
OR
(( segid " " and resid 18 and name HD22))
OR
(( segid " " and resid 18 and name HD21))
)(
(( segid " " and resid 18 and name HA ))
)
3.300 3.300 0.000 peak 7852 weight 0.10000E+01 volume 0.23130E+01 ppm1 0.851 ppm2 4.421
ASSI (
(( segid " " and resid 18 and name HD23))
OR
(( segid " " and resid 18 and name HD22))
OR
(( segid " " and resid 18 and name HD21))
)(
(( segid " " and resid 19 and name HN ))
)
5.000 5.000 0.000 peak 5842 weight 0.10000E+01 volume 0.61300E+00 ppm1 0.852 ppm2 8.088
ASSI (
(( segid " " and resid 18 and name HD23))
OR
(( segid " " and resid 18 and name HD22))
OR
(( segid " " and resid 18 and name HD21))
)(
(( segid " " and resid 20 and name HN ))
)
6.000 6.000 0.000 peak 7854 weight 0.10000E+01 volume 0.13000E+00 ppm1 0.852 ppm2 7.678
ASSI (
(( segid " " and resid 19 and name HA ))
)(
(( segid " " and resid 19 and name HG23))
OR
(( segid " " and resid 19 and name HG22))
OR
(( segid " " and resid 19 and name HG21))
)
2.700 2.700 0.000 peak 7863 weight 0.10000E+01 volume 0.55560E+01 ppm1 4.274 ppm2 1.131
ASSI (
(( segid " " and resid 19 and name HA ))
)(
(( segid " " and resid 19 and name HN ))
)
3.300 3.300 0.000 peak 6228 weight 0.10000E+01 volume 0.23350E+01 ppm1 4.272 ppm2 8.087
ASSI (
(( segid " " and resid 19 and name HA ))
)(
(( segid " " and resid 20 and name HN ))
)
5.000 5.000 0.000 peak 7864 weight 0.10000E+01 volume 0.11760E+01 ppm1 4.273 ppm2 7.679
ASSI (
(( segid " " and resid 19 and name HB ))
)(
(( segid " " and resid 19 and name HN ))
)
5.000 5.000 0.000 peak 7866 weight 0.10000E+01 volume 0.45700E+00 ppm1 4.296 ppm2 8.089
ASSI (
(( segid " " and resid 19 and name HB ))
)(
(( segid " " and resid 20 and name HN ))
)
6.000 6.000 0.000 peak 7865 weight 0.10000E+01 volume 0.26600E+00 ppm1 4.295 ppm2 7.677
ASSI (
(( segid " " and resid 19 and name HG23))
OR
(( segid " " and resid 19 and name HG22))
OR
(( segid " " and resid 19 and name HG21))
)(
(( segid " " and resid 18 and name HN ))
)
3.300 3.300 0.000 peak 5838 weight 0.10000E+01 volume 0.24490E+01 ppm1 1.121 ppm2 8.076
ASSI (
(( segid " " and resid 19 and name HG23))
OR
(( segid " " and resid 19 and name HG22))
OR
(( segid " " and resid 19 and name HG21))
)(
(( segid " " and resid 20 and name HN ))
)
5.000 5.000 0.000 peak 6315 weight 0.10000E+01 volume 0.46600E+00 ppm1 1.119 ppm2 7.679
ASSI (
(( segid " " and resid 20 and name HA ))
)(
(( segid " " and resid 20 and name HB2 ))
OR
(( segid " " and resid 20 and name HB1 ))
)
2.700 2.700 0.000 peak 7868 weight 0.10000E+01 volume 0.33960E+01 ppm1 4.252 ppm2 1.743
ASSI (
(( segid " " and resid 20 and name HA ))
)(
(( segid " " and resid 20 and name HG2 ))
OR
(( segid " " and resid 20 and name HG1 ))
)
3.300 3.300 0.000 peak 7867 weight 0.10000E+01 volume 0.23690E+01 ppm1 4.252 ppm2 2.036
ASSI (
(( segid " " and resid 20 and name HA ))
)(
(( segid " " and resid 21 and name HN ))
)
2.700 2.700 0.000 peak 6240 weight 0.10000E+01 volume 0.49660E+01 ppm1 4.251 ppm2 8.145
ASSI (
(( segid " " and resid 20 and name HA ))
)(
(( segid " " and resid 22 and name HN ))
)
5.000 5.000 0.000 peak 6470 weight 0.10000E+01 volume 0.69500E+00 ppm1 4.252 ppm2 7.316
ASSI (
(( segid " " and resid 20 and name HB2 ))
OR
(( segid " " and resid 20 and name HB1 ))
)(
(( segid " " and resid 22 and name HN ))
)
5.000 5.000 0.000 peak 6316 weight 0.10000E+01 volume 0.12130E+01 ppm1 1.721 ppm2 7.304
ASSI (
(( segid " " and resid 20 and name HB2 ))
OR
(( segid " " and resid 20 and name HB1 ))
)(
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)
5.000 5.000 0.000 peak 7869 weight 0.10000E+01 volume 0.10090E+01 ppm1 1.722 ppm2 7.214
ASSI (
(( segid " " and resid 20 and name HG2 ))
OR
(( segid " " and resid 20 and name HG1 ))
)(
(( segid " " and resid 19 and name HG23))
OR
(( segid " " and resid 19 and name HG22))
OR
(( segid " " and resid 19 and name HG21))
)
5.000 5.000 0.000 peak 7875 weight 0.10000E+01 volume 0.69600E+00 ppm1 2.031 ppm2 1.119
ASSI (
(( segid " " and resid 20 and name HG2 ))
OR
(( segid " " and resid 20 and name HG1 ))
)(
(( segid " " and resid 20 and name HN ))
)
5.000 5.000 0.000 peak 6233 weight 0.10000E+01 volume 0.12980E+01 ppm1 2.030 ppm2 7.680
ASSI (
(( segid " " and resid 20 and name HG2 ))
OR
(( segid " " and resid 20 and name HG1 ))
)(
(( segid " " and resid 21 and name HN ))
)
5.000 5.000 0.000 peak 5849 weight 0.10000E+01 volume 0.10480E+01 ppm1 2.029 ppm2 8.146
ASSI (
(( segid " " and resid 20 and name HG2 ))
OR
(( segid " " and resid 20 and name HG1 ))
)(
(( segid " " and resid 22 and name HN ))
)
5.000 5.000 0.000 peak 5856 weight 0.10000E+01 volume 0.66500E+00 ppm1 2.032 ppm2 7.322
ASSI (
(( segid " " and resid 20 and name HG2 ))
OR
(( segid " " and resid 20 and name HG1 ))
)(
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)
5.000 5.000 0.000 peak 7872 weight 0.10000E+01 volume 0.54600E+00 ppm1 2.030 ppm2 7.210
ASSI (
(( segid " " and resid 21 and name HB ))
)(
(( segid " " and resid 4 and name HG1 ))
)
5.000 5.000 0.000 peak 5261 weight 0.10000E+01 volume 0.43700E+00 ppm1 4.272 ppm2 2.189
ASSI (
(( segid " " and resid 21 and name HB ))
)(
(( segid " " and resid 4 and name HG2 ))
)
5.000 5.000 0.000 peak 5259 weight 0.10000E+01 volume 0.55800E+00 ppm1 4.271 ppm2 2.065
ASSI (
(( segid " " and resid 21 and name HB ))
)(
(( segid " " and resid 21 and name HG1 ))
)
5.000 5.000 0.000 peak 5411 weight 0.10000E+01 volume 0.13490E+01 ppm1 4.264 ppm2 4.640
ASSI (
(( segid " " and resid 21 and name HB ))
)(
(( segid " " and resid 21 and name HN ))
)
5.000 5.000 0.000 peak 7876 weight 0.10000E+01 volume 0.76800E+00 ppm1 4.270 ppm2 8.148
ASSI (
(( segid " " and resid 22 and name HA ))
)(
(( segid " " and resid 22 and name HB2 ))
OR
(( segid " " and resid 22 and name HB1 ))
)
2.700 2.700 0.000 peak 7884 weight 0.10000E+01 volume 0.45930E+01 ppm1 4.935 ppm2 1.529
ASSI (
(( segid " " and resid 22 and name HA ))
)(
(( segid " " and resid 22 and name HD1 ))
)
5.000 5.000 0.000 peak 7880 weight 0.10000E+01 volume 0.46400E+00 ppm1 4.933 ppm2 3.108
ASSI (
(( segid " " and resid 22 and name HA ))
)(
(( segid " " and resid 22 and name HD2 ))
)
5.000 5.000 0.000 peak 7883 weight 0.10000E+01 volume 0.50700E+00 ppm1 4.933 ppm2 3.048
ASSI (
(( segid " " and resid 22 and name HA ))
)(
(( segid " " and resid 22 and name HN ))
)
3.300 3.300 0.000 peak 6245 weight 0.10000E+01 volume 0.23480E+01 ppm1 4.932 ppm2 7.327
ASSI (
(( segid " " and resid 22 and name HA ))
)(
(( segid " " and resid 23 and name HN ))
)
3.300 3.300 0.000 peak 5777 weight 0.10000E+01 volume 0.25670E+01 ppm1 4.933 ppm2 8.841
ASSI (
(( segid " " and resid 22 and name HA ))
)(
(( segid " " and resid 24 and name HN ))
)
6.000 6.000 0.000 peak 7877 weight 0.10000E+01 volume 0.29400E+00 ppm1 4.933 ppm2 8.530
ASSI (
(( segid " " and resid 22 and name HB2 ))
OR
(( segid " " and resid 22 and name HB1 ))
)(
(( segid " " and resid 1 and name HB1 ))
)
5.000 5.000 0.000 peak 7888 weight 0.10000E+01 volume 0.34100E+00 ppm1 1.527 ppm2 2.751
ASSI (
(( segid " " and resid 22 and name HB2 ))
OR
(( segid " " and resid 22 and name HB1 ))
)(
(( segid " " and resid 23 and name HN ))
)
5.000 5.000 0.000 peak 5868 weight 0.10000E+01 volume 0.66100E+00 ppm1 1.527 ppm2 8.837
ASSI (
(( segid " " and resid 22 and name HB2 ))
OR
(( segid " " and resid 22 and name HB1 ))
)(
(( segid " " and resid 54 and name HZ2 ))
)
6.000 6.000 0.000 peak 8384 weight 0.10000E+01 volume 0.11700E+00 ppm1 1.527 ppm2 6.933
ASSI (
(( segid " " and resid 22 and name HG1 ))
)(
(( segid " " and resid 22 and name HA ))
)
3.300 3.300 0.000 peak 5538 weight 0.10000E+01 volume 0.15670E+01 ppm1 1.515 ppm2 4.946
ASSI (
(( segid " " and resid 22 and name HG1 ))
)(
(( segid " " and resid 23 and name HN ))
)
5.000 5.000 0.000 peak 5861 weight 0.10000E+01 volume 0.68400E+00 ppm1 1.515 ppm2 8.851
ASSI (
(( segid " " and resid 22 and name HG2 ))
)(
(( segid " " and resid 22 and name HA ))
)
3.300 3.300 0.000 peak 5539 weight 0.10000E+01 volume 0.15690E+01 ppm1 1.460 ppm2 4.946
ASSI (
(( segid " " and resid 22 and name HG2 ))
)(
(( segid " " and resid 23 and name HN ))
)
5.000 5.000 0.000 peak 7891 weight 0.10000E+01 volume 0.55900E+00 ppm1 1.456 ppm2 8.847
ASSI (
(( segid " " and resid 23 and name HB1 ))
)(
(( segid " " and resid 23 and name HA ))
)
5.000 5.000 0.000 peak 7893 weight 0.10000E+01 volume 0.99700E+00 ppm1 3.025 ppm2 4.674
ASSI (
(( segid " " and resid 23 and name HB1 ))
)(
(( segid " " and resid 23 and name HB2 ))
)
3.300 3.300 0.000 peak 7898 weight 0.10000E+01 volume 0.24830E+01 ppm1 3.024 ppm2 2.714
ASSI (
(( segid " " and resid 23 and name HB1 ))
)(
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)
5.000 5.000 0.000 peak 5917 weight 0.10000E+01 volume 0.99000E+00 ppm1 3.023 ppm2 7.315
ASSI (
(( segid " " and resid 23 and name HB1 ))
)(
(( segid " " and resid 23 and name HN ))
)
5.000 5.000 0.000 peak 6318 weight 0.10000E+01 volume 0.38700E+00 ppm1 3.024 ppm2 8.834
ASSI (
(( segid " " and resid 23 and name HB1 ))
)(
(( segid " " and resid 24 and name HN ))
)
5.000 5.000 0.000 peak 6324 weight 0.10000E+01 volume 0.38500E+00 ppm1 3.024 ppm2 8.552
ASSI (
(( segid " " and resid 23 and name HB1 ))
)(
(( segid " " and resid 27 and name HB ))
)
6.000 6.000 0.000 peak 7894 weight 0.10000E+01 volume 0.16300E+00 ppm1 3.024 ppm2 4.022
ASSI (
(( segid " " and resid 23 and name HB1 ))
)(
(( segid " " and resid 54 and name HH2 ))
)
5.000 5.000 0.000 peak 7242 weight 0.10000E+01 volume 0.32000E+00 ppm1 3.024 ppm2 6.248
ASSI (
(( segid " " and resid 23 and name HB1 ))
)(
(( segid " " and resid 54 and name HZ2 ))
)
5.000 5.000 0.000 peak 6740 weight 0.10000E+01 volume 0.43400E+00 ppm1 3.024 ppm2 6.949
ASSI (
(( segid " " and resid 23 and name HB2 ))
)(
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)
5.000 5.000 0.000 peak 5301 weight 0.10000E+01 volume 0.86200E+00 ppm1 2.713 ppm2 7.314
ASSI (
(( segid " " and resid 23 and name HB2 ))
)(
(( segid " " and resid 23 and name HN ))
)
5.000 5.000 0.000 peak 5302 weight 0.10000E+01 volume 0.53600E+00 ppm1 2.713 ppm2 8.833
ASSI (
(( segid " " and resid 23 and name HB2 ))
)(
(( segid " " and resid 54 and name HH2 ))
)
6.000 6.000 0.000 peak 7364 weight 0.10000E+01 volume 0.22900E+00 ppm1 2.714 ppm2 6.244
ASSI (
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)(
(( segid " " and resid 22 and name HA ))
)
5.000 5.000 0.000 peak 7899 weight 0.10000E+01 volume 0.33000E+00 ppm1 7.315 ppm2 4.935
ASSI (
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)(
(( segid " " and resid 23 and name HA ))
)
5.000 5.000 0.000 peak 7900 weight 0.10000E+01 volume 0.61300E+00 ppm1 7.315 ppm2 4.673
ASSI (
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)(
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)
3.300 3.300 0.000 peak 7391 weight 0.10000E+01 volume 0.27590E+01 ppm1 7.316 ppm2 7.209
ASSI (
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)(
(( segid " " and resid 54 and name HH2 ))
)
6.000 6.000 0.000 peak 6710 weight 0.10000E+01 volume 0.15500E+00 ppm1 7.316 ppm2 6.244
ASSI (
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)(
(( segid " " and resid 54 and name HZ2 ))
)
5.000 5.000 0.000 peak 6701 weight 0.10000E+01 volume 0.56000E+00 ppm1 7.316 ppm2 6.947
ASSI (
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)(
(( segid " " and resid 4 and name HA ))
)
6.000 6.000 0.000 peak 7903 weight 0.10000E+01 volume 0.29500E+00 ppm1 7.210 ppm2 4.660
ASSI (
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)(
(( segid " " and resid 16 and name HD13))
OR
(( segid " " and resid 16 and name HD12))
OR
(( segid " " and resid 16 and name HD11))
)
5.000 5.000 0.000 peak 7827 weight 0.10000E+01 volume 0.43900E+00 ppm1 7.208 ppm2 0.776
ASSI (
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)(
(( segid " " and resid 22 and name HB2 ))
OR
(( segid " " and resid 22 and name HB1 ))
)
5.000 5.000 0.000 peak 7904 weight 0.10000E+01 volume 0.30600E+00 ppm1 7.211 ppm2 1.527
ASSI (
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)(
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)
2.700 2.700 0.000 peak 7491 weight 0.10000E+01 volume 0.36440E+01 ppm1 7.210 ppm2 7.317
ASSI (
(( segid " " and resid 24 and name HA ))
)(
(( segid " " and resid 24 and name HB2 ))
OR
(( segid " " and resid 24 and name HB1 ))
)
3.300 3.300 0.000 peak 4895 weight 0.10000E+01 volume 0.24230E+01 ppm1 4.382 ppm2 1.748
ASSI (
(( segid " " and resid 24 and name HB1 ))
)(
(( segid " " and resid 24 and name HA ))
)
3.300 3.300 0.000 peak 7911 weight 0.10000E+01 volume 0.23980E+01 ppm1 1.773 ppm2 4.394
ASSI (
(( segid " " and resid 24 and name HB1 ))
)(
(( segid " " and resid 24 and name HE2 ))
OR
(( segid " " and resid 24 and name HE1 ))
)
5.000 5.000 0.000 peak 7913 weight 0.10000E+01 volume 0.67600E+00 ppm1 1.771 ppm2 2.986
ASSI (
(( segid " " and resid 24 and name HB1 ))
)(
(( segid " " and resid 25 and name HN ))
)
3.300 3.300 0.000 peak 5872 weight 0.10000E+01 volume 0.20310E+01 ppm1 1.771 ppm2 8.575
ASSI (
(( segid " " and resid 24 and name HB2 ))
)(
(( segid " " and resid 24 and name HA ))
)
3.300 3.300 0.000 peak 7912 weight 0.10000E+01 volume 0.22540E+01 ppm1 1.715 ppm2 4.393
ASSI (
(( segid " " and resid 24 and name HB2 ))
)(
(( segid " " and resid 24 and name HE2 ))
OR
(( segid " " and resid 24 and name HE1 ))
)
5.000 5.000 0.000 peak 7914 weight 0.10000E+01 volume 0.47800E+00 ppm1 1.714 ppm2 2.985
ASSI (
(( segid " " and resid 24 and name HB2 ))
)(
(( segid " " and resid 25 and name HN ))
)
3.300 3.300 0.000 peak 5264 weight 0.10000E+01 volume 0.20060E+01 ppm1 1.714 ppm2 8.575
ASSI (
(( segid " " and resid 24 and name HE2 ))
OR
(( segid " " and resid 24 and name HE1 ))
)(
(( segid " " and resid 24 and name HN ))
)
5.000 5.000 0.000 peak 7921 weight 0.10000E+01 volume 0.43900E+00 ppm1 2.971 ppm2 8.563
ASSI (
(( segid " " and resid 24 and name HG1 ))
)(
(( segid " " and resid 23 and name HA ))
)
5.000 5.000 0.000 peak 7915 weight 0.10000E+01 volume 0.33400E+00 ppm1 1.501 ppm2 4.668
ASSI (
(( segid " " and resid 24 and name HG1 ))
)(
(( segid " " and resid 24 and name HA ))
)
5.000 5.000 0.000 peak 7917 weight 0.10000E+01 volume 0.68500E+00 ppm1 1.502 ppm2 4.394
ASSI (
(( segid " " and resid 24 and name HG1 ))
)(
(( segid " " and resid 24 and name HE2 ))
OR
(( segid " " and resid 24 and name HE1 ))
)
5.000 5.000 0.000 peak 7919 weight 0.10000E+01 volume 0.10450E+01 ppm1 1.502 ppm2 2.986
ASSI (
(( segid " " and resid 24 and name HG2 ))
)(
(( segid " " and resid 23 and name HA ))
)
5.000 5.000 0.000 peak 7916 weight 0.10000E+01 volume 0.33800E+00 ppm1 1.426 ppm2 4.669
ASSI (
(( segid " " and resid 24 and name HG2 ))
)(
(( segid " " and resid 24 and name HA ))
)
5.000 5.000 0.000 peak 7918 weight 0.10000E+01 volume 0.67700E+00 ppm1 1.427 ppm2 4.394
ASSI (
(( segid " " and resid 24 and name HG2 ))
)(
(( segid " " and resid 24 and name HE2 ))
OR
(( segid " " and resid 24 and name HE1 ))
)
5.000 5.000 0.000 peak 7920 weight 0.10000E+01 volume 0.10320E+01 ppm1 1.428 ppm2 2.985
ASSI (
(( segid " " and resid 25 and name HA ))
)(
(( segid " " and resid 25 and name HB ))
)
5.000 5.000 0.000 peak 7922 weight 0.10000E+01 volume 0.12490E+01 ppm1 3.515 ppm2 3.793
ASSI (
(( segid " " and resid 25 and name HA ))
)(
(( segid " " and resid 25 and name HN ))
)
5.000 5.000 0.000 peak 6260 weight 0.10000E+01 volume 0.60300E+00 ppm1 3.513 ppm2 8.596
ASSI (
(( segid " " and resid 25 and name HA ))
)(
(( segid " " and resid 26 and name HN ))
)
3.300 3.300 0.000 peak 6331 weight 0.10000E+01 volume 0.15140E+01 ppm1 3.514 ppm2 9.169
ASSI (
(( segid " " and resid 25 and name HA ))
)(
(( segid " " and resid 48 and name HB1 ))
)
6.000 6.000 0.000 peak 4898 weight 0.10000E+01 volume 0.27500E+00 ppm1 3.514 ppm2 2.383
ASSI (
(( segid " " and resid 25 and name HA ))
)(
(( segid " " and resid 48 and name HB2 ))
)
6.000 6.000 0.000 peak 4900 weight 0.10000E+01 volume 0.24200E+00 ppm1 3.514 ppm2 1.346
ASSI (
(( segid " " and resid 25 and name HB ))
)(
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)
2.700 2.700 0.000 peak 7925 weight 0.10000E+01 volume 0.60350E+01 ppm1 3.788 ppm2 1.046
ASSI (
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)(
(( segid " " and resid 25 and name HA ))
)
3.300 3.300 0.000 peak 6515 weight 0.10000E+01 volume 0.16030E+01 ppm1 1.043 ppm2 3.528
ASSI (
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)(
(( segid " " and resid 25 and name HN ))
)
5.000 5.000 0.000 peak 7927 weight 0.10000E+01 volume 0.78800E+00 ppm1 1.044 ppm2 8.596
ASSI (
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)(
(( segid " " and resid 26 and name HN ))
)
5.000 5.000 0.000 peak 5884 weight 0.10000E+01 volume 0.10960E+01 ppm1 1.040 ppm2 9.180
ASSI (
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)(
(( segid " " and resid 50 and name HA ))
)
2.700 2.700 0.000 peak 8337 weight 0.10000E+01 volume 0.43630E+01 ppm1 1.041 ppm2 4.128
ASSI (
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)(
(( segid " " and resid 52 and name HN ))
)
6.000 6.000 0.000 peak 6538 weight 0.10000E+01 volume 0.28000E+00 ppm1 1.042 ppm2 7.906
ASSI (
(( segid " " and resid 26 and name HA1 ))
)(
(( segid " " and resid 26 and name HA2 ))
)
2.700 2.700 0.000 peak 7928 weight 0.10000E+01 volume 0.44130E+01 ppm1 4.366 ppm2 3.502
ASSI (
(( segid " " and resid 26 and name HA1 ))
)(
(( segid " " and resid 26 and name HN ))
)
5.000 5.000 0.000 peak 6333 weight 0.10000E+01 volume 0.58400E+00 ppm1 4.363 ppm2 9.168
ASSI (
(( segid " " and resid 26 and name HA2 ))
)(
(( segid " " and resid 26 and name HN ))
)
5.000 5.000 0.000 peak 7929 weight 0.10000E+01 volume 0.64900E+00 ppm1 3.477 ppm2 9.176
ASSI (
(( segid " " and resid 26 and name HA2 ))
)(
(( segid " " and resid 27 and name HN ))
)
6.000 6.000 0.000 peak 7930 weight 0.10000E+01 volume 0.18500E+00 ppm1 3.478 ppm2 7.868
ASSI (
(( segid " " and resid 27 and name HA ))
)(
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)
3.300 3.300 0.000 peak 7934 weight 0.10000E+01 volume 0.15300E+01 ppm1 4.066 ppm2 1.518
ASSI (
(( segid " " and resid 27 and name HB ))
)(
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)
3.300 3.300 0.000 peak 7940 weight 0.10000E+01 volume 0.15700E+01 ppm1 4.011 ppm2 1.516
ASSI (
(( segid " " and resid 27 and name HB ))
)(
(( segid " " and resid 27 and name HN ))
)
5.000 5.000 0.000 peak 7936 weight 0.10000E+01 volume 0.56200E+00 ppm1 4.011 ppm2 7.872
ASSI (
(( segid " " and resid 27 and name HB ))
)(
(( segid " " and resid 28 and name HN ))
)
5.000 5.000 0.000 peak 7935 weight 0.10000E+01 volume 0.31000E+00 ppm1 4.011 ppm2 8.734
ASSI (
(( segid " " and resid 27 and name HB ))
)(
(( segid " " and resid 48 and name HB1 ))
)
5.000 5.000 0.000 peak 7938 weight 0.10000E+01 volume 0.32200E+00 ppm1 4.011 ppm2 2.376
ASSI (
(( segid " " and resid 27 and name HB ))
)(
(( segid " " and resid 48 and name HB2 ))
)
6.000 6.000 0.000 peak 7941 weight 0.10000E+01 volume 0.26900E+00 ppm1 4.012 ppm2 1.344
ASSI (
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)(
(( segid " " and resid 23 and name HB1 ))
)
5.000 5.000 0.000 peak 5552 weight 0.10000E+01 volume 0.79500E+00 ppm1 1.507 ppm2 3.034
ASSI (
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)(
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)
5.000 5.000 0.000 peak 7949 weight 0.10000E+01 volume 0.47200E+00 ppm1 1.508 ppm2 7.210
ASSI (
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)(
(( segid " " and resid 24 and name HN ))
)
5.000 5.000 0.000 peak 7948 weight 0.10000E+01 volume 0.30800E+00 ppm1 1.509 ppm2 8.544
ASSI (
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)(
(( segid " " and resid 27 and name HN ))
)
5.000 5.000 0.000 peak 6341 weight 0.10000E+01 volume 0.31500E+00 ppm1 1.508 ppm2 7.877
ASSI (
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)(
(( segid " " and resid 29 and name HA ))
)
5.000 5.000 0.000 peak 7954 weight 0.10000E+01 volume 0.31000E+00 ppm1 1.508 ppm2 4.769
ASSI (
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)(
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)
5.000 5.000 0.000 peak 5555 weight 0.10000E+01 volume 0.69700E+00 ppm1 1.507 ppm2 0.092
ASSI (
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)(
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)
3.300 3.300 0.000 peak 5554 weight 0.10000E+01 volume 0.26620E+01 ppm1 1.509 ppm2 0.774
ASSI (
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)(
(( segid " " and resid 29 and name HN ))
)
6.000 6.000 0.000 peak 7944 weight 0.10000E+01 volume 0.25300E+00 ppm1 1.507 ppm2 9.275
ASSI (
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)(
(( segid " " and resid 54 and name HH2 ))
)
5.000 5.000 0.000 peak 7952 weight 0.10000E+01 volume 0.10770E+01 ppm1 1.508 ppm2 6.247
ASSI (
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)(
(( segid " " and resid 54 and name HZ3 ))
)
5.000 5.000 0.000 peak 7950 weight 0.10000E+01 volume 0.36900E+00 ppm1 1.508 ppm2 6.720
ASSI (
(( segid " " and resid 28 and name HA ))
)(
(( segid " " and resid 27 and name HA ))
)
6.000 6.000 0.000 peak 7960 weight 0.10000E+01 volume 0.20400E+00 ppm1 5.428 ppm2 4.070
ASSI (
(( segid " " and resid 28 and name HA ))
)(
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)
5.000 5.000 0.000 peak 4906 weight 0.10000E+01 volume 0.34100E+00 ppm1 5.431 ppm2 1.506
ASSI (
(( segid " " and resid 28 and name HA ))
)(
(( segid " " and resid 28 and name HB ))
)
5.000 5.000 0.000 peak 7961 weight 0.10000E+01 volume 0.65900E+00 ppm1 5.428 ppm2 3.957
ASSI (
(( segid " " and resid 28 and name HA ))
)(
(( segid " " and resid 28 and name HN ))
)
5.000 5.000 0.000 peak 5885 weight 0.10000E+01 volume 0.31400E+00 ppm1 5.428 ppm2 8.732
ASSI (
(( segid " " and resid 28 and name HA ))
)(
(( segid " " and resid 29 and name HN ))
)
3.300 3.300 0.000 peak 5891 weight 0.10000E+01 volume 0.18890E+01 ppm1 5.429 ppm2 9.271
ASSI (
(( segid " " and resid 28 and name HA ))
)(
(( segid " " and resid 47 and name HA ))
)
5.000 5.000 0.000 peak 7958 weight 0.10000E+01 volume 0.13160E+01 ppm1 5.429 ppm2 5.589
ASSI (
(( segid " " and resid 28 and name HA ))
)(
(( segid " " and resid 47 and name HG23))
OR
(( segid " " and resid 47 and name HG22))
OR
(( segid " " and resid 47 and name HG21))
)
5.000 5.000 0.000 peak 4909 weight 0.10000E+01 volume 0.40500E+00 ppm1 5.427 ppm2 0.978
ASSI (
(( segid " " and resid 28 and name HA ))
)(
(( segid " " and resid 48 and name HN ))
)
5.000 5.000 0.000 peak 7956 weight 0.10000E+01 volume 0.58000E+00 ppm1 5.429 ppm2 8.506
ASSI (
(( segid " " and resid 28 and name HB ))
)(
(( segid " " and resid 28 and name HG23))
OR
(( segid " " and resid 28 and name HG22))
OR
(( segid " " and resid 28 and name HG21))
)
2.700 2.700 0.000 peak 5269 weight 0.10000E+01 volume 0.64850E+01 ppm1 3.942 ppm2 1.145
ASSI (
(( segid " " and resid 28 and name HB ))
)(
(( segid " " and resid 29 and name HN ))
)
5.000 5.000 0.000 peak 5893 weight 0.10000E+01 volume 0.33500E+00 ppm1 3.943 ppm2 9.279
ASSI (
(( segid " " and resid 28 and name HB ))
)(
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)
5.000 5.000 0.000 peak 5271 weight 0.10000E+01 volume 0.73400E+00 ppm1 3.944 ppm2 0.904
ASSI (
(( segid " " and resid 28 and name HG23))
OR
(( segid " " and resid 28 and name HG22))
OR
(( segid " " and resid 28 and name HG21))
)(
(( segid " " and resid 28 and name HA ))
)
3.300 3.300 0.000 peak 7967 weight 0.10000E+01 volume 0.15590E+01 ppm1 1.135 ppm2 5.429
ASSI (
(( segid " " and resid 28 and name HG23))
OR
(( segid " " and resid 28 and name HG22))
OR
(( segid " " and resid 28 and name HG21))
)(
(( segid " " and resid 28 and name HN ))
)
5.000 5.000 0.000 peak 6359 weight 0.10000E+01 volume 0.55200E+00 ppm1 1.136 ppm2 8.733
ASSI (
(( segid " " and resid 28 and name HG23))
OR
(( segid " " and resid 28 and name HG22))
OR
(( segid " " and resid 28 and name HG21))
)(
(( segid " " and resid 29 and name HN ))
)
5.000 5.000 0.000 peak 5896 weight 0.10000E+01 volume 0.79100E+00 ppm1 1.135 ppm2 9.277
ASSI (
(( segid " " and resid 28 and name HG23))
OR
(( segid " " and resid 28 and name HG22))
OR
(( segid " " and resid 28 and name HG21))
)(
(( segid " " and resid 45 and name HA ))
)
5.000 5.000 0.000 peak 4973 weight 0.10000E+01 volume 0.44600E+00 ppm1 1.135 ppm2 5.206
ASSI (
(( segid " " and resid 28 and name HG23))
OR
(( segid " " and resid 28 and name HG22))
OR
(( segid " " and resid 28 and name HG21))
)(
(( segid " " and resid 46 and name HN ))
)
5.000 5.000 0.000 peak 7966 weight 0.10000E+01 volume 0.63700E+00 ppm1 1.135 ppm2 8.482
ASSI (
(( segid " " and resid 29 and name HA ))
)(
(( segid " " and resid 29 and name HB1 ))
)
5.000 5.000 0.000 peak 7975 weight 0.10000E+01 volume 0.53600E+00 ppm1 4.759 ppm2 1.625
ASSI (
(( segid " " and resid 29 and name HA ))
)(
(( segid " " and resid 29 and name HB2 ))
)
5.000 5.000 0.000 peak 7976 weight 0.10000E+01 volume 0.48500E+00 ppm1 4.763 ppm2 1.322
ASSI (
(( segid " " and resid 29 and name HA ))
)(
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)
5.000 5.000 0.000 peak 5071 weight 0.10000E+01 volume 0.31600E+00 ppm1 4.762 ppm2 0.073
ASSI (
(( segid " " and resid 29 and name HB1 ))
)(
(( segid " " and resid 29 and name HB2 ))
)
3.300 3.300 0.000 peak 7988 weight 0.10000E+01 volume 0.16420E+01 ppm1 1.611 ppm2 1.305
ASSI (
(( segid " " and resid 29 and name HB1 ))
)(
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)
5.000 5.000 0.000 peak 5273 weight 0.10000E+01 volume 0.82300E+00 ppm1 1.612 ppm2 0.084
ASSI (
(( segid " " and resid 29 and name HB1 ))
)(
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)
5.000 5.000 0.000 peak 7991 weight 0.10000E+01 volume 0.72100E+00 ppm1 1.614 ppm2 0.771
ASSI (
(( segid " " and resid 29 and name HB1 ))
)(
(( segid " " and resid 29 and name HG ))
)
5.000 5.000 0.000 peak 7989 weight 0.10000E+01 volume 0.10250E+01 ppm1 1.612 ppm2 1.464
ASSI (
(( segid " " and resid 29 and name HB1 ))
)(
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)
6.000 6.000 0.000 peak 7980 weight 0.10000E+01 volume 0.18500E+00 ppm1 1.612 ppm2 6.536
ASSI (
(( segid " " and resid 29 and name HB1 ))
)(
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)
5.000 5.000 0.000 peak 5275 weight 0.10000E+01 volume 0.66700E+00 ppm1 1.611 ppm2 6.232
ASSI (
(( segid " " and resid 29 and name HB2 ))
)(
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)
5.000 5.000 0.000 peak 5274 weight 0.10000E+01 volume 0.91400E+00 ppm1 1.300 ppm2 0.085
ASSI (
(( segid " " and resid 29 and name HB2 ))
)(
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)
5.000 5.000 0.000 peak 7992 weight 0.10000E+01 volume 0.10530E+01 ppm1 1.305 ppm2 0.771
ASSI (
(( segid " " and resid 29 and name HB2 ))
)(
(( segid " " and resid 29 and name HG ))
)
5.000 5.000 0.000 peak 7990 weight 0.10000E+01 volume 0.11010E+01 ppm1 1.303 ppm2 1.465
ASSI (
(( segid " " and resid 29 and name HB2 ))
)(
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)
6.000 6.000 0.000 peak 7982 weight 0.10000E+01 volume 0.20900E+00 ppm1 1.300 ppm2 6.544
ASSI (
(( segid " " and resid 29 and name HB2 ))
)(
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)
5.000 5.000 0.000 peak 7983 weight 0.10000E+01 volume 0.66500E+00 ppm1 1.301 ppm2 6.229
ASSI (
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)(
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)
6.000 6.000 0.000 peak 7995 weight 0.10000E+01 volume 0.18100E+00 ppm1 0.073 ppm2 7.323
ASSI (
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)(
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)
6.000 6.000 0.000 peak 7996 weight 0.10000E+01 volume 0.21700E+00 ppm1 0.072 ppm2 7.213
ASSI (
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)(
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)
3.300 3.300 0.000 peak 8009 weight 0.10000E+01 volume 0.26490E+01 ppm1 0.076 ppm2 0.775
ASSI (
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)(
(( segid " " and resid 30 and name HN ))
)
6.000 6.000 0.000 peak 6378 weight 0.10000E+01 volume 0.10500E+00 ppm1 0.072 ppm2 8.745
ASSI (
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)(
(( segid " " and resid 54 and name HZ2 ))
)
6.000 6.000 0.000 peak 7997 weight 0.10000E+01 volume 0.18200E+00 ppm1 0.073 ppm2 6.947
ASSI (
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)(
(( segid " " and resid 54 and name HZ3 ))
)
6.000 6.000 0.000 peak 7999 weight 0.10000E+01 volume 0.21000E+00 ppm1 0.073 ppm2 6.697
ASSI (
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 23 and name HB1 ))
)
6.000 6.000 0.000 peak 8019 weight 0.10000E+01 volume 0.18800E+00 ppm1 0.759 ppm2 3.033
ASSI (
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 23 and name HB2 ))
)
5.000 5.000 0.000 peak 8020 weight 0.10000E+01 volume 0.33600E+00 ppm1 0.759 ppm2 2.712
ASSI (
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 23 and name HE2 ))
OR
(( segid " " and resid 23 and name HE1 ))
)
5.000 5.000 0.000 peak 8011 weight 0.10000E+01 volume 0.11150E+01 ppm1 0.759 ppm2 7.211
ASSI (
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 28 and name HA ))
)
6.000 6.000 0.000 peak 8016 weight 0.10000E+01 volume 0.15300E+00 ppm1 0.758 ppm2 5.431
ASSI (
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 29 and name HA ))
)
3.300 3.300 0.000 peak 8018 weight 0.10000E+01 volume 0.27600E+01 ppm1 0.761 ppm2 4.769
ASSI (
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 29 and name HN ))
)
5.000 5.000 0.000 peak 8010 weight 0.10000E+01 volume 0.33600E+00 ppm1 0.758 ppm2 9.276
ASSI (
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 30 and name HN ))
)
5.000 5.000 0.000 peak 5905 weight 0.10000E+01 volume 0.88900E+00 ppm1 0.759 ppm2 8.747
ASSI (
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 31 and name HB2 ))
)
6.000 6.000 0.000 peak 8021 weight 0.10000E+01 volume 0.16700E+00 ppm1 0.760 ppm2 2.513
ASSI (
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 54 and name HH2 ))
)
5.000 5.000 0.000 peak 8015 weight 0.10000E+01 volume 0.63400E+00 ppm1 0.760 ppm2 6.245
ASSI (
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 54 and name HZ2 ))
)
6.000 6.000 0.000 peak 8012 weight 0.10000E+01 volume 0.12200E+00 ppm1 0.759 ppm2 6.932
ASSI (
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 54 and name HZ3 ))
)
5.000 5.000 0.000 peak 8013 weight 0.10000E+01 volume 0.84900E+00 ppm1 0.760 ppm2 6.716
ASSI (
(( segid " " and resid 29 and name HG ))
)(
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)
2.700 2.700 0.000 peak 7993 weight 0.10000E+01 volume 0.30490E+01 ppm1 1.460 ppm2 0.078
ASSI (
(( segid " " and resid 30 and name HA ))
)(
(( segid " " and resid 30 and name HB1 ))
)
5.000 5.000 0.000 peak 8028 weight 0.10000E+01 volume 0.32800E+00 ppm1 4.494 ppm2 1.857
ASSI (
(( segid " " and resid 30 and name HA ))
)(
(( segid " " and resid 30 and name HB2 ))
)
5.000 5.000 0.000 peak 8029 weight 0.10000E+01 volume 0.49400E+00 ppm1 4.496 ppm2 1.671
ASSI (
(( segid " " and resid 30 and name HB1 ))
)(
(( segid " " and resid 30 and name HN ))
)
3.300 3.300 0.000 peak 8032 weight 0.10000E+01 volume 0.15960E+01 ppm1 1.841 ppm2 8.754
ASSI (
(( segid " " and resid 30 and name HB1 ))
)(
(( segid " " and resid 31 and name HA ))
)
5.000 5.000 0.000 peak 8034 weight 0.10000E+01 volume 0.98500E+00 ppm1 1.845 ppm2 4.794
ASSI (
(( segid " " and resid 30 and name HE2 ))
OR
(( segid " " and resid 30 and name HE1 ))
)(
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)
5.000 5.000 0.000 peak 8238 weight 0.10000E+01 volume 0.30300E+00 ppm1 2.926 ppm2 0.893
ASSI (
(( segid " " and resid 31 and name HA ))
)(
(( segid " " and resid 14 and name HN ))
)
5.000 5.000 0.000 peak 4958 weight 0.10000E+01 volume 0.87300E+00 ppm1 4.803 ppm2 8.217
ASSI (
(( segid " " and resid 31 and name HA ))
)(
(( segid " " and resid 31 and name HB1 ))
)
5.000 5.000 0.000 peak 8037 weight 0.10000E+01 volume 0.64200E+00 ppm1 4.806 ppm2 2.655
ASSI (
(( segid " " and resid 31 and name HA ))
)(
(( segid " " and resid 31 and name HB2 ))
)
5.000 5.000 0.000 peak 8038 weight 0.10000E+01 volume 0.52100E+00 ppm1 4.806 ppm2 2.512
ASSI (
(( segid " " and resid 31 and name HA ))
)(
(( segid " " and resid 31 and name HN ))
)
5.000 5.000 0.000 peak 4960 weight 0.10000E+01 volume 0.83100E+00 ppm1 4.799 ppm2 8.391
ASSI (
(( segid " " and resid 31 and name HA ))
)(
(( segid " " and resid 32 and name HN ))
)
3.300 3.300 0.000 peak 6393 weight 0.10000E+01 volume 0.17430E+01 ppm1 4.802 ppm2 8.928
ASSI (
(( segid " " and resid 31 and name HB1 ))
)(
(( segid " " and resid 31 and name HB2 ))
)
5.000 5.000 0.000 peak 8047 weight 0.10000E+01 volume 0.10030E+01 ppm1 2.640 ppm2 2.508
ASSI (
(( segid " " and resid 31 and name HB1 ))
)(
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)
5.000 5.000 0.000 peak 7367 weight 0.10000E+01 volume 0.50100E+00 ppm1 2.638 ppm2 6.537
ASSI (
(( segid " " and resid 31 and name HB1 ))
)(
(( segid " " and resid 31 and name HN ))
)
5.000 5.000 0.000 peak 7387 weight 0.10000E+01 volume 0.35400E+00 ppm1 2.639 ppm2 8.385
ASSI (
(( segid " " and resid 31 and name HB1 ))
)(
(( segid " " and resid 59 and name HE2 ))
OR
(( segid " " and resid 59 and name HE1 ))
)
6.000 6.000 0.000 peak 8043 weight 0.10000E+01 volume 0.29900E+00 ppm1 2.639 ppm2 6.914
ASSI (
(( segid " " and resid 31 and name HB1 ))
)(
(( segid " " and resid 59 and name HZ ))
)
5.000 5.000 0.000 peak 8044 weight 0.10000E+01 volume 0.32800E+00 ppm1 2.641 ppm2 6.344
ASSI (
(( segid " " and resid 31 and name HB2 ))
)(
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)
5.000 5.000 0.000 peak 5280 weight 0.10000E+01 volume 0.36300E+00 ppm1 2.505 ppm2 1.235
ASSI (
(( segid " " and resid 31 and name HB2 ))
)(
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)
5.000 5.000 0.000 peak 7368 weight 0.10000E+01 volume 0.43200E+00 ppm1 2.505 ppm2 6.537
ASSI (
(( segid " " and resid 31 and name HB2 ))
)(
(( segid " " and resid 31 and name HN ))
)
6.000 6.000 0.000 peak 8042 weight 0.10000E+01 volume 0.21900E+00 ppm1 2.504 ppm2 8.383
ASSI (
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)(
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)
5.000 5.000 0.000 peak 7396 weight 0.10000E+01 volume 0.72600E+00 ppm1 6.520 ppm2 6.225
ASSI (
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)(
(( segid " " and resid 29 and name HA ))
)
6.000 6.000 0.000 peak 8050 weight 0.10000E+01 volume 0.18400E+00 ppm1 6.220 ppm2 4.770
ASSI (
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)(
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)
5.000 5.000 0.000 peak 8003 weight 0.10000E+01 volume 0.10230E+01 ppm1 6.220 ppm2 0.078
ASSI (
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)(
(( segid " " and resid 29 and name HD23))
OR
(( segid " " and resid 29 and name HD22))
OR
(( segid " " and resid 29 and name HD21))
)
6.000 6.000 0.000 peak 8053 weight 0.10000E+01 volume 0.25400E+00 ppm1 6.221 ppm2 0.777
ASSI (
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)(
(( segid " " and resid 29 and name HG ))
)
6.000 6.000 0.000 peak 8051 weight 0.10000E+01 volume 0.27700E+00 ppm1 6.219 ppm2 1.475
ASSI (
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)(
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)
3.300 3.300 0.000 peak 7397 weight 0.10000E+01 volume 0.16540E+01 ppm1 6.220 ppm2 6.524
ASSI (
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)(
(( segid " " and resid 46 and name HB1 ))
)
6.000 6.000 0.000 peak 8256 weight 0.10000E+01 volume 0.16400E+00 ppm1 6.221 ppm2 1.834
ASSI (
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)(
(( segid " " and resid 46 and name HB2 ))
)
5.000 5.000 0.000 peak 8052 weight 0.10000E+01 volume 0.42400E+00 ppm1 6.221 ppm2 1.044
ASSI (
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)(
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)
5.000 5.000 0.000 peak 8279 weight 0.10000E+01 volume 0.36100E+00 ppm1 6.220 ppm2 -0.001
ASSI (
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)(
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)
6.000 6.000 0.000 peak 8054 weight 0.10000E+01 volume 0.25800E+00 ppm1 6.221 ppm2 -0.128
ASSI (
(( segid " " and resid 32 and name HB ))
)(
(( segid " " and resid 14 and name HB1 ))
)
5.000 5.000 0.000 peak 8060 weight 0.10000E+01 volume 0.55800E+00 ppm1 3.954 ppm2 1.860
ASSI (
(( segid " " and resid 32 and name HB ))
)(
(( segid " " and resid 32 and name HA ))
)
3.300 3.300 0.000 peak 8058 weight 0.10000E+01 volume 0.16830E+01 ppm1 3.953 ppm2 4.720
ASSI (
(( segid " " and resid 32 and name HB ))
)(
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)
2.700 2.700 0.000 peak 8061 weight 0.10000E+01 volume 0.32170E+01 ppm1 3.951 ppm2 1.098
ASSI (
(( segid " " and resid 32 and name HB ))
)(
(( segid " " and resid 32 and name HN ))
)
5.000 5.000 0.000 peak 8056 weight 0.10000E+01 volume 0.58900E+00 ppm1 3.954 ppm2 8.929
ASSI (
(( segid " " and resid 32 and name HB ))
)(
(( segid " " and resid 33 and name HN ))
)
5.000 5.000 0.000 peak 8057 weight 0.10000E+01 volume 0.70200E+00 ppm1 3.954 ppm2 8.432
ASSI (
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)(
(( segid " " and resid 30 and name HB1 ))
)
5.000 5.000 0.000 peak 8070 weight 0.10000E+01 volume 0.37500E+00 ppm1 1.091 ppm2 1.861
ASSI (
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)(
(( segid " " and resid 31 and name HA ))
)
5.000 5.000 0.000 peak 8064 weight 0.10000E+01 volume 0.52100E+00 ppm1 1.091 ppm2 4.817
ASSI (
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)(
(( segid " " and resid 31 and name HB1 ))
)
6.000 6.000 0.000 peak 8068 weight 0.10000E+01 volume 0.11800E+00 ppm1 1.092 ppm2 2.659
ASSI (
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)(
(( segid " " and resid 31 and name HB2 ))
)
6.000 6.000 0.000 peak 8067 weight 0.10000E+01 volume 0.12000E+00 ppm1 1.091 ppm2 2.514
ASSI (
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)(
(( segid " " and resid 32 and name HA ))
)
5.000 5.000 0.000 peak 5560 weight 0.10000E+01 volume 0.60800E+00 ppm1 1.092 ppm2 4.727
ASSI (
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)(
(( segid " " and resid 32 and name HN ))
)
5.000 5.000 0.000 peak 6383 weight 0.10000E+01 volume 0.11790E+01 ppm1 1.092 ppm2 8.934
ASSI (
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)(
(( segid " " and resid 33 and name HN ))
)
5.000 5.000 0.000 peak 5923 weight 0.10000E+01 volume 0.53800E+00 ppm1 1.093 ppm2 8.429
ASSI (
(( segid " " and resid 33 and name HA ))
)(
(( segid " " and resid 33 and name HB1 ))
)
5.000 5.000 0.000 peak 8073 weight 0.10000E+01 volume 0.64700E+00 ppm1 5.088 ppm2 3.243
ASSI (
(( segid " " and resid 33 and name HA ))
)(
(( segid " " and resid 33 and name HB2 ))
)
5.000 5.000 0.000 peak 4800 weight 0.10000E+01 volume 0.59200E+00 ppm1 5.087 ppm2 2.797
ASSI (
(( segid " " and resid 33 and name HA ))
)(
(( segid " " and resid 34 and name HN ))
)
5.000 5.000 0.000 peak 5925 weight 0.10000E+01 volume 0.94200E+00 ppm1 5.086 ppm2 7.402
ASSI (
(( segid " " and resid 33 and name HB1 ))
)(
(( segid " " and resid 33 and name HB2 ))
)
3.300 3.300 0.000 peak 5283 weight 0.10000E+01 volume 0.23430E+01 ppm1 3.226 ppm2 2.796
ASSI (
(( segid " " and resid 33 and name HB1 ))
)(
(( segid " " and resid 33 and name HN ))
)
5.000 5.000 0.000 peak 8074 weight 0.10000E+01 volume 0.58700E+00 ppm1 3.227 ppm2 8.428
ASSI (
(( segid " " and resid 33 and name HB1 ))
)(
(( segid " " and resid 37 and name HB1 ))
)
5.000 5.000 0.000 peak 8082 weight 0.10000E+01 volume 0.44300E+00 ppm1 3.227 ppm2 3.410
ASSI (
(( segid " " and resid 33 and name HB2 ))
)(
(( segid " " and resid 33 and name HN ))
)
3.300 3.300 0.000 peak 8077 weight 0.10000E+01 volume 0.19250E+01 ppm1 2.787 ppm2 8.429
ASSI (
(( segid " " and resid 33 and name HB2 ))
)(
(( segid " " and resid 34 and name HN ))
)
6.000 6.000 0.000 peak 6402 weight 0.10000E+01 volume 0.23300E+00 ppm1 2.785 ppm2 7.390
ASSI (
(( segid " " and resid 33 and name HB2 ))
)(
(( segid " " and resid 37 and name HB1 ))
)
5.000 5.000 0.000 peak 8085 weight 0.10000E+01 volume 0.56700E+00 ppm1 2.787 ppm2 3.411
ASSI (
(( segid " " and resid 34 and name HA ))
)(
(( segid " " and resid 34 and name HN ))
)
5.000 5.000 0.000 peak 6405 weight 0.10000E+01 volume 0.48100E+00 ppm1 4.397 ppm2 7.388
ASSI (
(( segid " " and resid 34 and name HA ))
)(
(( segid " " and resid 35 and name HD2 ))
)
5.000 5.000 0.000 peak 4919 weight 0.10000E+01 volume 0.10390E+01 ppm1 4.396 ppm2 3.571
ASSI (
(( segid " " and resid 34 and name HB1 ))
)(
(( segid " " and resid 34 and name HA ))
)
5.000 5.000 0.000 peak 8091 weight 0.10000E+01 volume 0.62200E+00 ppm1 1.601 ppm2 4.415
ASSI (
(( segid " " and resid 34 and name HB1 ))
)(
(( segid " " and resid 34 and name HB2 ))
)
3.300 3.300 0.000 peak 8095 weight 0.10000E+01 volume 0.17940E+01 ppm1 1.601 ppm2 1.181
ASSI (
(( segid " " and resid 34 and name HB1 ))
)(
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)
3.300 3.300 0.000 peak 8096 weight 0.10000E+01 volume 0.16160E+01 ppm1 1.602 ppm2 0.824
ASSI (
(( segid " " and resid 34 and name HB1 ))
)(
(( segid " " and resid 34 and name HN ))
)
5.000 5.000 0.000 peak 6400 weight 0.10000E+01 volume 0.37800E+00 ppm1 1.600 ppm2 7.398
ASSI (
(( segid " " and resid 34 and name HB1 ))
)(
(( segid " " and resid 35 and name HD1 ))
)
5.000 5.000 0.000 peak 5287 weight 0.10000E+01 volume 0.45600E+00 ppm1 1.598 ppm2 3.783
ASSI (
(( segid " " and resid 34 and name HB1 ))
)(
(( segid " " and resid 35 and name HD2 ))
)
5.000 5.000 0.000 peak 5284 weight 0.10000E+01 volume 0.71200E+00 ppm1 1.598 ppm2 3.576
ASSI (
(( segid " " and resid 34 and name HB1 ))
)(
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)
5.000 5.000 0.000 peak 8089 weight 0.10000E+01 volume 0.48600E+00 ppm1 1.601 ppm2 6.695
ASSI (
(( segid " " and resid 34 and name HB2 ))
)(
(( segid " " and resid 34 and name HA ))
)
5.000 5.000 0.000 peak 8092 weight 0.10000E+01 volume 0.43500E+00 ppm1 1.173 ppm2 4.416
ASSI (
(( segid " " and resid 34 and name HB2 ))
)(
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)
5.000 5.000 0.000 peak 8097 weight 0.10000E+01 volume 0.94000E+00 ppm1 1.174 ppm2 0.826
ASSI (
(( segid " " and resid 34 and name HB2 ))
)(
(( segid " " and resid 34 and name HG ))
)
5.000 5.000 0.000 peak 8098 weight 0.10000E+01 volume 0.10130E+01 ppm1 1.174 ppm2 1.015
ASSI (
(( segid " " and resid 34 and name HB2 ))
)(
(( segid " " and resid 34 and name HN ))
)
5.000 5.000 0.000 peak 8088 weight 0.10000E+01 volume 0.47700E+00 ppm1 1.174 ppm2 7.397
ASSI (
(( segid " " and resid 34 and name HB2 ))
)(
(( segid " " and resid 35 and name HD2 ))
)
5.000 5.000 0.000 peak 5288 weight 0.10000E+01 volume 0.44600E+00 ppm1 1.171 ppm2 3.571
ASSI (
(( segid " " and resid 34 and name HB2 ))
)(
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)
5.000 5.000 0.000 peak 8090 weight 0.10000E+01 volume 0.63000E+00 ppm1 1.169 ppm2 6.698
ASSI (
(( segid " " and resid 34 and name HD13))
OR
(( segid " " and resid 34 and name HD12))
OR
(( segid " " and resid 34 and name HD11))
)(
(( segid " " and resid 9 and name HA ))
)
5.000 5.000 0.000 peak 7743 weight 0.10000E+01 volume 0.41300E+00 ppm1 0.562 ppm2 4.019
ASSI (
(( segid " " and resid 34 and name HD13))
OR
(( segid " " and resid 34 and name HD12))
OR
(( segid " " and resid 34 and name HD11))
)(
(( segid " " and resid 10 and name HA ))
)
5.000 5.000 0.000 peak 4846 weight 0.10000E+01 volume 0.70700E+00 ppm1 0.561 ppm2 3.520
ASSI (
(( segid " " and resid 34 and name HD13))
OR
(( segid " " and resid 34 and name HD12))
OR
(( segid " " and resid 34 and name HD11))
)(
(( segid " " and resid 11 and name HN ))
)
5.000 5.000 0.000 peak 6184 weight 0.10000E+01 volume 0.66800E+00 ppm1 0.561 ppm2 6.462
ASSI (
(( segid " " and resid 34 and name HD13))
OR
(( segid " " and resid 34 and name HD12))
OR
(( segid " " and resid 34 and name HD11))
)(
(( segid " " and resid 12 and name HN ))
)
6.000 6.000 0.000 peak 8102 weight 0.10000E+01 volume 0.26300E+00 ppm1 0.561 ppm2 8.632
ASSI (
(( segid " " and resid 34 and name HD13))
OR
(( segid " " and resid 34 and name HD12))
OR
(( segid " " and resid 34 and name HD11))
)(
(( segid " " and resid 33 and name HA ))
)
6.000 6.000 0.000 peak 8104 weight 0.10000E+01 volume 0.22700E+00 ppm1 0.560 ppm2 5.099
ASSI (
(( segid " " and resid 34 and name HD13))
OR
(( segid " " and resid 34 and name HD12))
OR
(( segid " " and resid 34 and name HD11))
)(
(( segid " " and resid 34 and name HB1 ))
)
3.300 3.300 0.000 peak 8105 weight 0.10000E+01 volume 0.23960E+01 ppm1 0.560 ppm2 1.602
ASSI (
(( segid " " and resid 34 and name HD13))
OR
(( segid " " and resid 34 and name HD12))
OR
(( segid " " and resid 34 and name HD11))
)(
(( segid " " and resid 34 and name HN ))
)
5.000 5.000 0.000 peak 6396 weight 0.10000E+01 volume 0.40800E+00 ppm1 0.560 ppm2 7.391
ASSI (
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)(
(( segid " " and resid 11 and name HN ))
)
6.000 6.000 0.000 peak 8107 weight 0.10000E+01 volume 0.24800E+00 ppm1 0.804 ppm2 6.482
ASSI (
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)(
(( segid " " and resid 12 and name HA ))
)
5.000 5.000 0.000 peak 8109 weight 0.10000E+01 volume 0.51000E+00 ppm1 0.802 ppm2 4.611
ASSI (
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)(
(( segid " " and resid 12 and name HN ))
)
5.000 5.000 0.000 peak 6189 weight 0.10000E+01 volume 0.47700E+00 ppm1 0.802 ppm2 8.637
ASSI (
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)(
(( segid " " and resid 33 and name HA ))
)
6.000 6.000 0.000 peak 8108 weight 0.10000E+01 volume 0.29300E+00 ppm1 0.802 ppm2 5.096
ASSI (
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)(
(( segid " " and resid 34 and name HA ))
)
2.700 2.700 0.000 peak 8110 weight 0.10000E+01 volume 0.31170E+01 ppm1 0.804 ppm2 4.413
ASSI (
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)(
(( segid " " and resid 34 and name HN ))
)
5.000 5.000 0.000 peak 6398 weight 0.10000E+01 volume 0.10310E+01 ppm1 0.801 ppm2 7.394
ASSI (
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)(
(( segid " " and resid 35 and name HD1 ))
)
5.000 5.000 0.000 peak 5565 weight 0.10000E+01 volume 0.14020E+01 ppm1 0.803 ppm2 3.780
ASSI (
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)(
(( segid " " and resid 35 and name HD2 ))
)
3.300 3.300 0.000 peak 5568 weight 0.10000E+01 volume 0.16370E+01 ppm1 0.802 ppm2 3.572
ASSI (
(( segid " " and resid 34 and name HG ))
)(
(( segid " " and resid 34 and name HA ))
)
5.000 5.000 0.000 peak 5564 weight 0.10000E+01 volume 0.45200E+00 ppm1 1.002 ppm2 4.398
ASSI (
(( segid " " and resid 34 and name HG ))
)(
(( segid " " and resid 34 and name HD13))
OR
(( segid " " and resid 34 and name HD12))
OR
(( segid " " and resid 34 and name HD11))
)
3.300 3.300 0.000 peak 8101 weight 0.10000E+01 volume 0.18250E+01 ppm1 1.008 ppm2 0.573
ASSI (
(( segid " " and resid 34 and name HG ))
)(
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)
2.700 2.700 0.000 peak 6526 weight 0.10000E+01 volume 0.51920E+01 ppm1 1.011 ppm2 0.826
ASSI (
(( segid " " and resid 34 and name HG ))
)(
(( segid " " and resid 34 and name HN ))
)
5.000 5.000 0.000 peak 8100 weight 0.10000E+01 volume 0.51800E+00 ppm1 1.008 ppm2 7.400
ASSI (
(( segid " " and resid 35 and name HA ))
)(
(( segid " " and resid 35 and name HB1 ))
)
5.000 5.000 0.000 peak 8114 weight 0.10000E+01 volume 0.14420E+01 ppm1 4.334 ppm2 2.302
ASSI (
(( segid " " and resid 35 and name HA ))
)(
(( segid " " and resid 35 and name HD1 ))
)
6.000 6.000 0.000 peak 8112 weight 0.10000E+01 volume 0.56000E-01 ppm1 4.335 ppm2 3.763
ASSI (
(( segid " " and resid 35 and name HA ))
)(
(( segid " " and resid 35 and name HD2 ))
)
6.000 6.000 0.000 peak 8113 weight 0.10000E+01 volume 0.29700E+00 ppm1 4.334 ppm2 3.577
ASSI (
(( segid " " and resid 35 and name HA ))
)(
(( segid " " and resid 35 and name HG1 ))
)
5.000 5.000 0.000 peak 8115 weight 0.10000E+01 volume 0.52600E+00 ppm1 4.333 ppm2 2.132
ASSI (
(( segid " " and resid 35 and name HA ))
)(
(( segid " " and resid 35 and name HG2 ))
)
5.000 5.000 0.000 peak 8116 weight 0.10000E+01 volume 0.83600E+00 ppm1 4.334 ppm2 1.955
ASSI (
(( segid " " and resid 35 and name HA ))
)(
(( segid " " and resid 36 and name HA2 ))
)
6.000 6.000 0.000 peak 4930 weight 0.10000E+01 volume 0.15600E+00 ppm1 4.333 ppm2 3.252
ASSI (
(( segid " " and resid 35 and name HA ))
)(
(( segid " " and resid 36 and name HN ))
)
3.300 3.300 0.000 peak 5931 weight 0.10000E+01 volume 0.25560E+01 ppm1 4.335 ppm2 8.271
ASSI (
(( segid " " and resid 35 and name HB1 ))
)(
(( segid " " and resid 35 and name HD1 ))
)
5.000 5.000 0.000 peak 5292 weight 0.10000E+01 volume 0.38500E+00 ppm1 2.279 ppm2 3.781
ASSI (
(( segid " " and resid 35 and name HB1 ))
)(
(( segid " " and resid 35 and name HD2 ))
)
5.000 5.000 0.000 peak 5293 weight 0.10000E+01 volume 0.43800E+00 ppm1 2.282 ppm2 3.579
ASSI (
(( segid " " and resid 35 and name HB1 ))
)(
(( segid " " and resid 36 and name HN ))
)
5.000 5.000 0.000 peak 8122 weight 0.10000E+01 volume 0.47500E+00 ppm1 2.278 ppm2 8.286
ASSI (
(( segid " " and resid 35 and name HB2 ))
)(
(( segid " " and resid 35 and name HA ))
)
3.300 3.300 0.000 peak 8120 weight 0.10000E+01 volume 0.19410E+01 ppm1 1.783 ppm2 4.349
ASSI (
(( segid " " and resid 35 and name HB2 ))
)(
(( segid " " and resid 35 and name HD1 ))
)
5.000 5.000 0.000 peak 5291 weight 0.10000E+01 volume 0.51500E+00 ppm1 1.783 ppm2 3.779
ASSI (
(( segid " " and resid 35 and name HB2 ))
)(
(( segid " " and resid 35 and name HD2 ))
)
5.000 5.000 0.000 peak 5294 weight 0.10000E+01 volume 0.74800E+00 ppm1 1.782 ppm2 3.584
ASSI (
(( segid " " and resid 35 and name HD1 ))
)(
(( segid " " and resid 34 and name HA ))
)
3.300 3.300 0.000 peak 4928 weight 0.10000E+01 volume 0.16010E+01 ppm1 3.766 ppm2 4.405
ASSI (
(( segid " " and resid 35 and name HD1 ))
)(
(( segid " " and resid 34 and name HB2 ))
)
5.000 5.000 0.000 peak 8138 weight 0.10000E+01 volume 0.32300E+00 ppm1 3.769 ppm2 1.182
ASSI (
(( segid " " and resid 35 and name HD1 ))
)(
(( segid " " and resid 35 and name HD2 ))
)
2.700 2.700 0.000 peak 8132 weight 0.10000E+01 volume 0.31070E+01 ppm1 3.770 ppm2 3.568
ASSI (
(( segid " " and resid 35 and name HD2 ))
)(
(( segid " " and resid 35 and name HG1 ))
)
5.000 5.000 0.000 peak 8135 weight 0.10000E+01 volume 0.90900E+00 ppm1 3.568 ppm2 2.118
ASSI (
(( segid " " and resid 35 and name HD2 ))
)(
(( segid " " and resid 35 and name HG2 ))
)
5.000 5.000 0.000 peak 8136 weight 0.10000E+01 volume 0.97300E+00 ppm1 3.568 ppm2 1.956
ASSI (
(( segid " " and resid 35 and name HG1 ))
)(
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)
5.000 5.000 0.000 peak 8129 weight 0.10000E+01 volume 0.35200E+00 ppm1 2.110 ppm2 0.809
ASSI (
(( segid " " and resid 35 and name HG1 ))
)(
(( segid " " and resid 35 and name HB2 ))
)
2.700 2.700 0.000 peak 8127 weight 0.10000E+01 volume 0.37360E+01 ppm1 2.110 ppm2 1.792
ASSI (
(( segid " " and resid 35 and name HG1 ))
)(
(( segid " " and resid 35 and name HD1 ))
)
5.000 5.000 0.000 peak 5569 weight 0.10000E+01 volume 0.12540E+01 ppm1 2.109 ppm2 3.783
ASSI (
(( segid " " and resid 35 and name HG2 ))
)(
(( segid " " and resid 34 and name HA ))
)
5.000 5.000 0.000 peak 8124 weight 0.10000E+01 volume 0.63300E+00 ppm1 1.952 ppm2 4.387
ASSI (
(( segid " " and resid 35 and name HG2 ))
)(
(( segid " " and resid 34 and name HD23))
OR
(( segid " " and resid 34 and name HD22))
OR
(( segid " " and resid 34 and name HD21))
)
6.000 6.000 0.000 peak 8130 weight 0.10000E+01 volume 0.28900E+00 ppm1 1.951 ppm2 0.811
ASSI (
(( segid " " and resid 35 and name HG2 ))
)(
(( segid " " and resid 35 and name HB1 ))
)
3.300 3.300 0.000 peak 8126 weight 0.10000E+01 volume 0.15020E+01 ppm1 1.952 ppm2 2.277
ASSI (
(( segid " " and resid 35 and name HG2 ))
)(
(( segid " " and resid 35 and name HB2 ))
)
3.300 3.300 0.000 peak 8128 weight 0.10000E+01 volume 0.16360E+01 ppm1 1.952 ppm2 1.794
ASSI (
(( segid " " and resid 35 and name HG2 ))
)(
(( segid " " and resid 35 and name HD1 ))
)
5.000 5.000 0.000 peak 5570 weight 0.10000E+01 volume 0.10510E+01 ppm1 1.951 ppm2 3.781
ASSI (
(( segid " " and resid 36 and name HA1 ))
)(
(( segid " " and resid 36 and name HA2 ))
)
5.000 5.000 0.000 peak 8142 weight 0.10000E+01 volume 0.12130E+01 ppm1 3.695 ppm2 3.259
ASSI (
(( segid " " and resid 36 and name HA1 ))
)(
(( segid " " and resid 36 and name HN ))
)
5.000 5.000 0.000 peak 6412 weight 0.10000E+01 volume 0.40500E+00 ppm1 3.692 ppm2 8.281
ASSI (
(( segid " " and resid 36 and name HA1 ))
)(
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)
6.000 6.000 0.000 peak 8139 weight 0.10000E+01 volume 0.23800E+00 ppm1 3.692 ppm2 6.697
ASSI (
(( segid " " and resid 36 and name HA2 ))
)(
(( segid " " and resid 36 and name HN ))
)
5.000 5.000 0.000 peak 6410 weight 0.10000E+01 volume 0.32400E+00 ppm1 3.236 ppm2 8.281
ASSI (
(( segid " " and resid 36 and name HA2 ))
)(
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)
6.000 6.000 0.000 peak 8140 weight 0.10000E+01 volume 0.18900E+00 ppm1 3.244 ppm2 6.692
ASSI (
(( segid " " and resid 37 and name HA ))
)(
(( segid " " and resid 37 and name HB1 ))
)
5.000 5.000 0.000 peak 8145 weight 0.10000E+01 volume 0.68200E+00 ppm1 5.002 ppm2 3.417
ASSI (
(( segid " " and resid 37 and name HA ))
)(
(( segid " " and resid 37 and name HB2 ))
)
5.000 5.000 0.000 peak 8146 weight 0.10000E+01 volume 0.11410E+01 ppm1 5.003 ppm2 2.654
ASSI (
(( segid " " and resid 37 and name HA ))
)(
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)
5.000 5.000 0.000 peak 4933 weight 0.10000E+01 volume 0.11590E+01 ppm1 5.005 ppm2 6.692
ASSI (
(( segid " " and resid 37 and name HA ))
)(
(( segid " " and resid 37 and name HN ))
)
5.000 5.000 0.000 peak 6420 weight 0.10000E+01 volume 0.40500E+00 ppm1 5.008 ppm2 8.135
ASSI (
(( segid " " and resid 37 and name HA ))
)(
(( segid " " and resid 38 and name HN ))
)
5.000 5.000 0.000 peak 5944 weight 0.10000E+01 volume 0.10840E+01 ppm1 5.001 ppm2 9.251
ASSI (
(( segid " " and resid 37 and name HB1 ))
)(
(( segid " " and resid 37 and name HB2 ))
)
5.000 5.000 0.000 peak 5297 weight 0.10000E+01 volume 0.70700E+00 ppm1 3.408 ppm2 2.647
ASSI (
(( segid " " and resid 37 and name HB1 ))
)(
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)
5.000 5.000 0.000 peak 7369 weight 0.10000E+01 volume 0.59800E+00 ppm1 3.408 ppm2 6.698
ASSI (
(( segid " " and resid 37 and name HB1 ))
)(
(( segid " " and resid 37 and name HN ))
)
5.000 5.000 0.000 peak 7399 weight 0.10000E+01 volume 0.43200E+00 ppm1 3.409 ppm2 8.142
ASSI (
(( segid " " and resid 37 and name HB1 ))
)(
(( segid " " and resid 60 and name HB2 ))
OR
(( segid " " and resid 60 and name HB1 ))
)
5.000 5.000 0.000 peak 5296 weight 0.10000E+01 volume 0.40000E+00 ppm1 3.408 ppm2 3.005
ASSI (
(( segid " " and resid 37 and name HB2 ))
)(
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)
5.000 5.000 0.000 peak 7370 weight 0.10000E+01 volume 0.93100E+00 ppm1 2.626 ppm2 6.695
ASSI (
(( segid " " and resid 37 and name HB2 ))
)(
(( segid " " and resid 60 and name HB2 ))
OR
(( segid " " and resid 60 and name HB1 ))
)
5.000 5.000 0.000 peak 5374 weight 0.10000E+01 volume 0.11610E+01 ppm1 2.627 ppm2 2.996
ASSI (
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)(
(( segid " " and resid 10 and name HB2 ))
)
6.000 6.000 0.000 peak 4837 weight 0.10000E+01 volume 0.27400E+00 ppm1 6.685 ppm2 2.146
ASSI (
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)(
(( segid " " and resid 34 and name HD13))
OR
(( segid " " and resid 34 and name HD12))
OR
(( segid " " and resid 34 and name HD11))
)
6.000 6.000 0.000 peak 8157 weight 0.10000E+01 volume 0.26700E+00 ppm1 6.685 ppm2 0.566
ASSI (
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)(
(( segid " " and resid 37 and name HE2 ))
OR
(( segid " " and resid 37 and name HE1 ))
)
2.700 2.700 0.000 peak 7468 weight 0.10000E+01 volume 0.10637E+02 ppm1 6.684 ppm2 6.729
ASSI (
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)(
(( segid " " and resid 37 and name HN ))
)
5.000 5.000 0.000 peak 7498 weight 0.10000E+01 volume 0.55600E+00 ppm1 6.687 ppm2 8.140
ASSI (
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)(
(( segid " " and resid 61 and name HA ))
)
5.000 5.000 0.000 peak 7471 weight 0.10000E+01 volume 0.44500E+00 ppm1 6.686 ppm2 4.486
ASSI (
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)(
(( segid " " and resid 62 and name HA ))
)
6.000 6.000 0.000 peak 7470 weight 0.10000E+01 volume 0.26100E+00 ppm1 6.686 ppm2 3.930
ASSI (
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)(
(( segid " " and resid 62 and name HH ))
)
5.000 5.000 0.000 peak 7477 weight 0.10000E+01 volume 0.32700E+00 ppm1 6.685 ppm2 8.384
ASSI (
(( segid " " and resid 38 and name HA ))
)(
(( segid " " and resid 38 and name HB ))
)
3.300 3.300 0.000 peak 8159 weight 0.10000E+01 volume 0.17690E+01 ppm1 4.337 ppm2 1.727
ASSI (
(( segid " " and resid 38 and name HA ))
)(
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
3.300 3.300 0.000 peak 8160 weight 0.10000E+01 volume 0.27140E+01 ppm1 4.335 ppm2 0.546
ASSI (
(( segid " " and resid 38 and name HA ))
)(
(( segid " " and resid 38 and name HN ))
)
5.000 5.000 0.000 peak 6429 weight 0.10000E+01 volume 0.49200E+00 ppm1 4.335 ppm2 9.245
ASSI (
(( segid " " and resid 38 and name HA ))
)(
(( segid " " and resid 39 and name HN ))
)
2.700 2.700 0.000 peak 8158 weight 0.10000E+01 volume 0.65790E+01 ppm1 4.335 ppm2 8.382
ASSI (
(( segid " " and resid 38 and name HB ))
)(
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
2.700 2.700 0.000 peak 8164 weight 0.10000E+01 volume 0.41010E+01 ppm1 1.721 ppm2 0.544
ASSI (
(( segid " " and resid 38 and name HB ))
)(
(( segid " " and resid 38 and name HN ))
)
5.000 5.000 0.000 peak 6424 weight 0.10000E+01 volume 0.38300E+00 ppm1 1.713 ppm2 9.246
ASSI (
(( segid " " and resid 38 and name HB ))
)(
(( segid " " and resid 63 and name HE1 ))
)
5.000 5.000 0.000 peak 5299 weight 0.10000E+01 volume 0.61400E+00 ppm1 1.718 ppm2 2.704
ASSI (
(( segid " " and resid 38 and name HB ))
)(
(( segid " " and resid 63 and name HG1 ))
)
5.000 5.000 0.000 peak 5636 weight 0.10000E+01 volume 0.42600E+00 ppm1 1.716 ppm2 1.149
ASSI (
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)(
(( segid " " and resid 37 and name HA ))
)
6.000 6.000 0.000 peak 8173 weight 0.10000E+01 volume 0.19900E+00 ppm1 0.515 ppm2 5.014
ASSI (
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)(
(( segid " " and resid 38 and name HA ))
)
3.300 3.300 0.000 peak 5573 weight 0.10000E+01 volume 0.16940E+01 ppm1 0.515 ppm2 4.351
ASSI (
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)(
(( segid " " and resid 38 and name HB ))
)
2.700 2.700 0.000 peak 8178 weight 0.10000E+01 volume 0.37030E+01 ppm1 0.514 ppm2 1.730
ASSI (
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)(
(( segid " " and resid 38 and name HN ))
)
5.000 5.000 0.000 peak 8165 weight 0.10000E+01 volume 0.11500E+01 ppm1 0.514 ppm2 9.252
ASSI (
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)(
(( segid " " and resid 39 and name HA ))
)
6.000 6.000 0.000 peak 8174 weight 0.10000E+01 volume 0.24600E+00 ppm1 0.515 ppm2 4.675
ASSI (
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)(
(( segid " " and resid 39 and name HN ))
)
5.000 5.000 0.000 peak 8166 weight 0.10000E+01 volume 0.14190E+01 ppm1 0.516 ppm2 8.381
ASSI (
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)(
(( segid " " and resid 63 and name HA ))
)
5.000 5.000 0.000 peak 8175 weight 0.10000E+01 volume 0.55500E+00 ppm1 0.515 ppm2 4.161
ASSI (
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)(
(( segid " " and resid 63 and name HB1 ))
)
5.000 5.000 0.000 peak 5595 weight 0.10000E+01 volume 0.61900E+00 ppm1 0.514 ppm2 1.437
ASSI (
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)(
(( segid " " and resid 63 and name HE1 ))
)
5.000 5.000 0.000 peak 5594 weight 0.10000E+01 volume 0.94300E+00 ppm1 0.515 ppm2 2.707
ASSI (
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)(
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)
5.000 5.000 0.000 peak 8171 weight 0.10000E+01 volume 0.40900E+00 ppm1 0.515 ppm2 6.713
ASSI (
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)(
(( segid " " and resid 84 and name HE2 ))
OR
(( segid " " and resid 84 and name HE1 ))
)
5.000 5.000 0.000 peak 8169 weight 0.10000E+01 volume 0.30600E+00 ppm1 0.515 ppm2 7.349
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 37 and name HA ))
)
5.000 5.000 0.000 peak 8148 weight 0.10000E+01 volume 0.33300E+00 ppm1 0.559 ppm2 5.006
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 38 and name HA ))
)
3.300 3.300 0.000 peak 5218 weight 0.10000E+01 volume 0.20640E+01 ppm1 0.563 ppm2 4.352
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 38 and name HB ))
)
2.700 2.700 0.000 peak 5575 weight 0.10000E+01 volume 0.49270E+01 ppm1 0.562 ppm2 1.733
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 38 and name HN ))
)
5.000 5.000 0.000 peak 5593 weight 0.10000E+01 volume 0.14320E+01 ppm1 0.563 ppm2 9.254
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 39 and name HN ))
)
3.300 3.300 0.000 peak 8180 weight 0.10000E+01 volume 0.19370E+01 ppm1 0.561 ppm2 8.383
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 63 and name HA ))
)
5.000 5.000 0.000 peak 5576 weight 0.10000E+01 volume 0.67800E+00 ppm1 0.560 ppm2 4.159
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 63 and name HB1 ))
)
5.000 5.000 0.000 peak 5591 weight 0.10000E+01 volume 0.77600E+00 ppm1 0.561 ppm2 1.441
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 63 and name HD1 ))
)
5.000 5.000 0.000 peak 8189 weight 0.10000E+01 volume 0.78000E+00 ppm1 0.561 ppm2 1.484
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 63 and name HE1 ))
)
5.000 5.000 0.000 peak 3548 weight 0.10000E+01 volume 0.91700E+00 ppm1 0.562 ppm2 2.716
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)
5.000 5.000 0.000 peak 8184 weight 0.10000E+01 volume 0.47000E+00 ppm1 0.562 ppm2 6.720
ASSI (
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)(
(( segid " " and resid 84 and name HE2 ))
OR
(( segid " " and resid 84 and name HE1 ))
)
5.000 5.000 0.000 peak 8183 weight 0.10000E+01 volume 0.42500E+00 ppm1 0.561 ppm2 7.349
ASSI (
(( segid " " and resid 39 and name HB2 ))
OR
(( segid " " and resid 39 and name HB1 ))
)(
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 5303 weight 0.10000E+01 volume 0.43300E+00 ppm1 1.918 ppm2 0.556
ASSI (
(( segid " " and resid 39 and name HB2 ))
OR
(( segid " " and resid 39 and name HB1 ))
)(
(( segid " " and resid 39 and name HA ))
)
3.300 3.300 0.000 peak 5305 weight 0.10000E+01 volume 0.16410E+01 ppm1 1.920 ppm2 4.662
ASSI (
(( segid " " and resid 39 and name HB2 ))
OR
(( segid " " and resid 39 and name HB1 ))
)(
(( segid " " and resid 39 and name HD2 ))
OR
(( segid " " and resid 39 and name HD1 ))
)
3.300 3.300 0.000 peak 5592 weight 0.10000E+01 volume 0.23480E+01 ppm1 1.920 ppm2 3.196
ASSI (
(( segid " " and resid 39 and name HD2 ))
OR
(( segid " " and resid 39 and name HD1 ))
)(
(( segid " " and resid 39 and name HA ))
)
5.000 5.000 0.000 peak 5597 weight 0.10000E+01 volume 0.74100E+00 ppm1 3.181 ppm2 4.645
ASSI (
(( segid " " and resid 39 and name HD2 ))
OR
(( segid " " and resid 39 and name HD1 ))
)(
(( segid " " and resid 39 and name HN ))
)
5.000 5.000 0.000 peak 5603 weight 0.10000E+01 volume 0.50500E+00 ppm1 3.179 ppm2 8.384
ASSI (
(( segid " " and resid 39 and name HG1 ))
)(
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 5600 weight 0.10000E+01 volume 0.30300E+00 ppm1 1.794 ppm2 0.546
ASSI (
(( segid " " and resid 39 and name HG1 ))
)(
(( segid " " and resid 39 and name HA ))
)
5.000 5.000 0.000 peak 5599 weight 0.10000E+01 volume 0.91800E+00 ppm1 1.794 ppm2 4.652
ASSI (
(( segid " " and resid 39 and name HG1 ))
)(
(( segid " " and resid 39 and name HN ))
)
5.000 5.000 0.000 peak 8190 weight 0.10000E+01 volume 0.90900E+00 ppm1 1.792 ppm2 8.383
ASSI (
(( segid " " and resid 39 and name HG2 ))
)(
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 5601 weight 0.10000E+01 volume 0.41300E+00 ppm1 1.717 ppm2 0.548
ASSI (
(( segid " " and resid 39 and name HG2 ))
)(
(( segid " " and resid 39 and name HA ))
)
5.000 5.000 0.000 peak 5604 weight 0.10000E+01 volume 0.11440E+01 ppm1 1.719 ppm2 4.652
ASSI (
(( segid " " and resid 39 and name HG2 ))
)(
(( segid " " and resid 39 and name HN ))
)
5.000 5.000 0.000 peak 8191 weight 0.10000E+01 volume 0.90200E+00 ppm1 1.720 ppm2 8.381
ASSI (
(( segid " " and resid 40 and name HB1 ))
)(
(( segid " " and resid 40 and name HA ))
)
3.300 3.300 0.000 peak 8203 weight 0.10000E+01 volume 0.15630E+01 ppm1 3.902 ppm2 4.515
ASSI (
(( segid " " and resid 40 and name HB1 ))
)(
(( segid " " and resid 40 and name HB2 ))
)
2.700 2.700 0.000 peak 8205 weight 0.10000E+01 volume 0.41380E+01 ppm1 3.902 ppm2 3.469
ASSI (
(( segid " " and resid 40 and name HB1 ))
)(
(( segid " " and resid 40 and name HN ))
)
5.000 5.000 0.000 peak 8201 weight 0.10000E+01 volume 0.12170E+01 ppm1 3.900 ppm2 8.430
ASSI (
(( segid " " and resid 40 and name HB1 ))
)(
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)
3.300 3.300 0.000 peak 5632 weight 0.10000E+01 volume 0.19980E+01 ppm1 3.914 ppm2 0.714
ASSI (
(( segid " " and resid 40 and name HB2 ))
)(
(( segid " " and resid 39 and name HA ))
)
5.000 5.000 0.000 peak 8202 weight 0.10000E+01 volume 0.96200E+00 ppm1 3.457 ppm2 4.643
ASSI (
(( segid " " and resid 40 and name HB2 ))
)(
(( segid " " and resid 40 and name HA ))
)
3.300 3.300 0.000 peak 8204 weight 0.10000E+01 volume 0.16800E+01 ppm1 3.457 ppm2 4.515
ASSI (
(( segid " " and resid 40 and name HB2 ))
)(
(( segid " " and resid 40 and name HN ))
)
5.000 5.000 0.000 peak 6437 weight 0.10000E+01 volume 0.51800E+00 ppm1 3.458 ppm2 8.432
ASSI (
(( segid " " and resid 40 and name HB2 ))
)(
(( segid " " and resid 41 and name HN ))
)
5.000 5.000 0.000 peak 6449 weight 0.10000E+01 volume 0.34400E+00 ppm1 3.458 ppm2 8.042
ASSI (
(( segid " " and resid 40 and name HB2 ))
)(
(( segid " " and resid 61 and name HD13))
OR
(( segid " " and resid 61 and name HD12))
OR
(( segid " " and resid 61 and name HD11))
)
5.000 5.000 0.000 peak 5309 weight 0.10000E+01 volume 0.84000E+00 ppm1 3.455 ppm2 0.701
ASSI (
(( segid " " and resid 41 and name HA ))
)(
(( segid " " and resid 41 and name HB1 ))
)
5.000 5.000 0.000 peak 6311 weight 0.10000E+01 volume 0.38900E+00 ppm1 4.717 ppm2 3.363
ASSI (
(( segid " " and resid 41 and name HA ))
)(
(( segid " " and resid 41 and name HB2 ))
)
5.000 5.000 0.000 peak 8206 weight 0.10000E+01 volume 0.79900E+00 ppm1 4.717 ppm2 3.125
ASSI (
(( segid " " and resid 41 and name HB1 ))
)(
(( segid " " and resid 41 and name HB2 ))
)
2.700 2.700 0.000 peak 8207 weight 0.10000E+01 volume 0.50360E+01 ppm1 3.355 ppm2 3.127
ASSI (
(( segid " " and resid 41 and name HB1 ))
)(
(( segid " " and resid 42 and name HB2 ))
)
6.000 6.000 0.000 peak 5317 weight 0.10000E+01 volume 0.17700E+00 ppm1 3.353 ppm2 3.831
ASSI (
(( segid " " and resid 42 and name HB1 ))
)(
(( segid " " and resid 42 and name HA ))
)
5.000 5.000 0.000 peak 8211 weight 0.10000E+01 volume 0.12280E+01 ppm1 3.995 ppm2 4.373
ASSI (
(( segid " " and resid 42 and name HB2 ))
)(
(( segid " " and resid 42 and name HA ))
)
3.300 3.300 0.000 peak 9005 weight 0.10000E+01 volume 0.17230E+01 ppm1 3.952 ppm2 4.373
ASSI (
(( segid " " and resid 43 and name HA ))
)(
(( segid " " and resid 43 and name HG23))
OR
(( segid " " and resid 43 and name HG22))
OR
(( segid " " and resid 43 and name HG21))
)
2.700 2.700 0.000 peak 4940 weight 0.10000E+01 volume 0.30410E+01 ppm1 4.204 ppm2 1.176
ASSI (
(( segid " " and resid 43 and name HA ))
)(
(( segid " " and resid 43 and name HN ))
)
3.300 3.300 0.000 peak 8213 weight 0.10000E+01 volume 0.17120E+01 ppm1 4.206 ppm2 8.248
ASSI (
(( segid " " and resid 43 and name HA ))
)(
(( segid " " and resid 44 and name HN ))
)
3.300 3.300 0.000 peak 8212 weight 0.10000E+01 volume 0.24120E+01 ppm1 4.206 ppm2 8.382
ASSI (
(( segid " " and resid 43 and name HB ))
)(
(( segid " " and resid 43 and name HG23))
OR
(( segid " " and resid 43 and name HG22))
OR
(( segid " " and resid 43 and name HG21))
)
2.700 2.700 0.000 peak 8216 weight 0.10000E+01 volume 0.37360E+01 ppm1 4.106 ppm2 1.178
ASSI (
(( segid " " and resid 43 and name HB ))
)(
(( segid " " and resid 44 and name HN ))
)
5.000 5.000 0.000 peak 4942 weight 0.10000E+01 volume 0.78000E+00 ppm1 4.106 ppm2 8.373
ASSI (
(( segid " " and resid 43 and name HB ))
)(
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)
5.000 5.000 0.000 peak 4941 weight 0.10000E+01 volume 0.53300E+00 ppm1 4.107 ppm2 0.909
ASSI (
(( segid " " and resid 43 and name HG23))
OR
(( segid " " and resid 43 and name HG22))
OR
(( segid " " and resid 43 and name HG21))
)(
(( segid " " and resid 43 and name HN ))
)
5.000 5.000 0.000 peak 6459 weight 0.10000E+01 volume 0.12270E+01 ppm1 1.164 ppm2 8.259
ASSI (
(( segid " " and resid 43 and name HG23))
OR
(( segid " " and resid 43 and name HG22))
OR
(( segid " " and resid 43 and name HG21))
)(
(( segid " " and resid 44 and name HN ))
)
5.000 5.000 0.000 peak 8217 weight 0.10000E+01 volume 0.11510E+01 ppm1 1.163 ppm2 8.383
ASSI (
(( segid " " and resid 44 and name HA ))
)(
(( segid " " and resid 45 and name HN ))
)
5.000 5.000 0.000 peak 4961 weight 0.10000E+01 volume 0.44600E+00 ppm1 3.009 ppm2 6.525
ASSI (
(( segid " " and resid 45 and name HA ))
)(
(( segid " " and resid 44 and name HN ))
)
5.000 5.000 0.000 peak 8221 weight 0.10000E+01 volume 0.53500E+00 ppm1 5.201 ppm2 8.385
ASSI (
(( segid " " and resid 45 and name HA ))
)(
(( segid " " and resid 45 and name HB ))
)
5.000 5.000 0.000 peak 8222 weight 0.10000E+01 volume 0.14900E+01 ppm1 5.200 ppm2 3.880
ASSI (
(( segid " " and resid 45 and name HA ))
)(
(( segid " " and resid 45 and name HN ))
)
5.000 5.000 0.000 peak 4950 weight 0.10000E+01 volume 0.32500E+00 ppm1 5.198 ppm2 6.534
ASSI (
(( segid " " and resid 45 and name HB ))
)(
(( segid " " and resid 29 and name HN ))
)
6.000 6.000 0.000 peak 8224 weight 0.10000E+01 volume 0.18600E+00 ppm1 3.866 ppm2 9.275
ASSI (
(( segid " " and resid 45 and name HB ))
)(
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)
3.300 3.300 0.000 peak 8229 weight 0.10000E+01 volume 0.23240E+01 ppm1 3.866 ppm2 0.901
ASSI (
(( segid " " and resid 45 and name HB ))
)(
(( segid " " and resid 45 and name HN ))
)
6.000 6.000 0.000 peak 8226 weight 0.10000E+01 volume 0.21200E+00 ppm1 3.865 ppm2 6.534
ASSI (
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)(
(( segid " " and resid 28 and name HA ))
)
6.000 6.000 0.000 peak 8234 weight 0.10000E+01 volume 0.18700E+00 ppm1 0.891 ppm2 5.443
ASSI (
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)(
(( segid " " and resid 29 and name HN ))
)
6.000 6.000 0.000 peak 8230 weight 0.10000E+01 volume 0.23600E+00 ppm1 0.889 ppm2 9.273
ASSI (
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)(
(( segid " " and resid 30 and name HE2 ))
OR
(( segid " " and resid 30 and name HE1 ))
)
6.000 6.000 0.000 peak 8237 weight 0.10000E+01 volume 0.25800E+00 ppm1 0.891 ppm2 2.939
ASSI (
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)(
(( segid " " and resid 44 and name HN ))
)
5.000 5.000 0.000 peak 8232 weight 0.10000E+01 volume 0.11450E+01 ppm1 0.891 ppm2 8.371
ASSI (
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)(
(( segid " " and resid 45 and name HA ))
)
3.300 3.300 0.000 peak 5318 weight 0.10000E+01 volume 0.17780E+01 ppm1 0.893 ppm2 5.208
ASSI (
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)(
(( segid " " and resid 45 and name HN ))
)
5.000 5.000 0.000 peak 8233 weight 0.10000E+01 volume 0.53100E+00 ppm1 0.891 ppm2 6.530
ASSI (
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 46 and name HB1 ))
)
5.000 5.000 0.000 peak 8243 weight 0.10000E+01 volume 0.72800E+00 ppm1 4.870 ppm2 1.846
ASSI (
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 46 and name HB2 ))
)
5.000 5.000 0.000 peak 8245 weight 0.10000E+01 volume 0.87800E+00 ppm1 4.871 ppm2 1.016
ASSI (
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)
5.000 5.000 0.000 peak 8247 weight 0.10000E+01 volume 0.58400E+00 ppm1 4.870 ppm2 0.026
ASSI (
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)
5.000 5.000 0.000 peak 8248 weight 0.10000E+01 volume 0.10060E+01 ppm1 4.870 ppm2 -0.132
ASSI (
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 46 and name HG ))
)
5.000 5.000 0.000 peak 8244 weight 0.10000E+01 volume 0.92900E+00 ppm1 4.872 ppm2 1.421
ASSI (
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 47 and name HN ))
)
3.300 3.300 0.000 peak 4974 weight 0.10000E+01 volume 0.25900E+01 ppm1 4.873 ppm2 8.493
ASSI (
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 56 and name HB1 ))
)
5.000 5.000 0.000 peak 8241 weight 0.10000E+01 volume 0.45900E+00 ppm1 4.871 ppm2 3.661
ASSI (
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 56 and name HB2 ))
)
5.000 5.000 0.000 peak 8242 weight 0.10000E+01 volume 0.46600E+00 ppm1 4.868 ppm2 3.227
ASSI (
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)
6.000 6.000 0.000 peak 8239 weight 0.10000E+01 volume 0.23100E+00 ppm1 4.871 ppm2 6.834
ASSI (
(( segid " " and resid 46 and name HB1 ))
)(
(( segid " " and resid 46 and name HB2 ))
)
5.000 5.000 0.000 peak 5330 weight 0.10000E+01 volume 0.13880E+01 ppm1 1.843 ppm2 1.037
ASSI (
(( segid " " and resid 46 and name HB1 ))
)(
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)
5.000 5.000 0.000 peak 5335 weight 0.10000E+01 volume 0.62600E+00 ppm1 1.843 ppm2 0.001
ASSI (
(( segid " " and resid 46 and name HB1 ))
)(
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)
5.000 5.000 0.000 peak 5336 weight 0.10000E+01 volume 0.40500E+00 ppm1 1.843 ppm2 -0.139
ASSI (
(( segid " " and resid 46 and name HB1 ))
)(
(( segid " " and resid 46 and name HG ))
)
5.000 5.000 0.000 peak 5331 weight 0.10000E+01 volume 0.37600E+00 ppm1 1.842 ppm2 1.426
ASSI (
(( segid " " and resid 46 and name HB1 ))
)(
(( segid " " and resid 46 and name HN ))
)
5.000 5.000 0.000 peak 8249 weight 0.10000E+01 volume 0.41000E+00 ppm1 1.845 ppm2 8.488
ASSI (
(( segid " " and resid 46 and name HB1 ))
)(
(( segid " " and resid 54 and name HE3 ))
)
5.000 5.000 0.000 peak 8250 weight 0.10000E+01 volume 0.59200E+00 ppm1 1.842 ppm2 7.071
ASSI (
(( segid " " and resid 46 and name HB2 ))
)(
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)
5.000 5.000 0.000 peak 5333 weight 0.10000E+01 volume 0.65200E+00 ppm1 1.027 ppm2 0.000
ASSI (
(( segid " " and resid 46 and name HB2 ))
)(
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)
5.000 5.000 0.000 peak 5334 weight 0.10000E+01 volume 0.56000E+00 ppm1 1.027 ppm2 -0.141
ASSI (
(( segid " " and resid 46 and name HB2 ))
)(
(( segid " " and resid 46 and name HG ))
)
5.000 5.000 0.000 peak 5332 weight 0.10000E+01 volume 0.37700E+00 ppm1 1.029 ppm2 1.419
ASSI (
(( segid " " and resid 46 and name HB2 ))
)(
(( segid " " and resid 46 and name HN ))
)
5.000 5.000 0.000 peak 6468 weight 0.10000E+01 volume 0.46700E+00 ppm1 1.028 ppm2 8.486
ASSI (
(( segid " " and resid 46 and name HB2 ))
)(
(( segid " " and resid 54 and name HE3 ))
)
5.000 5.000 0.000 peak 8252 weight 0.10000E+01 volume 0.47700E+00 ppm1 1.029 ppm2 7.072
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 5 and name HG2 ))
)
5.000 5.000 0.000 peak 8291 weight 0.10000E+01 volume 0.40700E+00 ppm1 -0.001 ppm2 0.921
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 6 and name HB1 ))
)
6.000 6.000 0.000 peak 8283 weight 0.10000E+01 volume 0.12000E+00 ppm1 -0.003 ppm2 2.149
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 6 and name HB2 ))
)
5.000 5.000 0.000 peak 8286 weight 0.10000E+01 volume 0.31400E+00 ppm1 -0.004 ppm2 1.651
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 6 and name HG1 ))
)
6.000 6.000 0.000 peak 8284 weight 0.10000E+01 volume 0.27400E+00 ppm1 -0.003 ppm2 2.004
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 45 and name HN ))
)
6.000 6.000 0.000 peak 8276 weight 0.10000E+01 volume 0.17100E+00 ppm1 -0.001 ppm2 6.540
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 46 and name HG ))
)
3.300 3.300 0.000 peak 8288 weight 0.10000E+01 volume 0.16610E+01 ppm1 -0.002 ppm2 1.425
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 54 and name HB1 ))
)
5.000 5.000 0.000 peak 5358 weight 0.10000E+01 volume 0.45300E+00 ppm1 -0.002 ppm2 3.063
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 54 and name HB2 ))
)
5.000 5.000 0.000 peak 5357 weight 0.10000E+01 volume 0.68700E+00 ppm1 -0.002 ppm2 2.903
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 54 and name HE3 ))
)
5.000 5.000 0.000 peak 8271 weight 0.10000E+01 volume 0.44100E+00 ppm1 -0.002 ppm2 7.068
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 54 and name HZ2 ))
)
6.000 6.000 0.000 peak 8273 weight 0.10000E+01 volume 0.28900E+00 ppm1 -0.002 ppm2 6.926
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 56 and name HB1 ))
)
6.000 6.000 0.000 peak 8282 weight 0.10000E+01 volume 0.19500E+00 ppm1 -0.003 ppm2 3.659
ASSI (
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)(
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)
5.000 5.000 0.000 peak 8274 weight 0.10000E+01 volume 0.46800E+00 ppm1 -0.002 ppm2 6.833
ASSI (
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)(
(( segid " " and resid 45 and name HN ))
)
6.000 6.000 0.000 peak 8295 weight 0.10000E+01 volume 0.25800E+00 ppm1 -0.149 ppm2 6.529
ASSI (
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)(
(( segid " " and resid 46 and name HG ))
)
5.000 5.000 0.000 peak 8304 weight 0.10000E+01 volume 0.13300E+01 ppm1 -0.148 ppm2 1.423
ASSI (
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)(
(( segid " " and resid 46 and name HN ))
)
5.000 5.000 0.000 peak 6465 weight 0.10000E+01 volume 0.52500E+00 ppm1 -0.150 ppm2 8.487
ASSI (
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)(
(( segid " " and resid 56 and name HB1 ))
)
5.000 5.000 0.000 peak 5611 weight 0.10000E+01 volume 0.37400E+00 ppm1 -0.148 ppm2 3.653
ASSI (
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)(
(( segid " " and resid 56 and name HB2 ))
)
5.000 5.000 0.000 peak 5610 weight 0.10000E+01 volume 0.31700E+00 ppm1 -0.148 ppm2 3.209
ASSI (
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)(
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
)
6.000 6.000 0.000 peak 8294 weight 0.10000E+01 volume 0.13000E+00 ppm1 -0.149 ppm2 6.669
ASSI (
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)(
(( segid " " and resid 57 and name HN ))
)
6.000 6.000 0.000 peak 6604 weight 0.10000E+01 volume 0.22600E+00 ppm1 -0.149 ppm2 8.540
ASSI (
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)(
(( segid " " and resid 59 and name HE2 ))
OR
(( segid " " and resid 59 and name HE1 ))
)
5.000 5.000 0.000 peak 7382 weight 0.10000E+01 volume 0.10340E+01 ppm1 -0.148 ppm2 6.896
ASSI (
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)(
(( segid " " and resid 59 and name HZ ))
)
5.000 5.000 0.000 peak 8296 weight 0.10000E+01 volume 0.41900E+00 ppm1 -0.149 ppm2 6.337
ASSI (
(( segid " " and resid 46 and name HG ))
)(
(( segid " " and resid 47 and name HN ))
)
5.000 5.000 0.000 peak 5960 weight 0.10000E+01 volume 0.31200E+00 ppm1 1.406 ppm2 8.496
ASSI (
(( segid " " and resid 46 and name HG ))
)(
(( segid " " and resid 56 and name HB1 ))
)
5.000 5.000 0.000 peak 8263 weight 0.10000E+01 volume 0.31600E+00 ppm1 1.406 ppm2 3.657
ASSI (
(( segid " " and resid 46 and name HG ))
)(
(( segid " " and resid 56 and name HB2 ))
)
5.000 5.000 0.000 peak 8264 weight 0.10000E+01 volume 0.58700E+00 ppm1 1.405 ppm2 3.220
ASSI (
(( segid " " and resid 46 and name HG ))
)(
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)
5.000 5.000 0.000 peak 8260 weight 0.10000E+01 volume 0.47100E+00 ppm1 1.406 ppm2 6.829
ASSI (
(( segid " " and resid 46 and name HG ))
)(
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
)
6.000 6.000 0.000 peak 8262 weight 0.10000E+01 volume 0.22100E+00 ppm1 1.407 ppm2 6.664
ASSI (
(( segid " " and resid 47 and name HA ))
)(
(( segid " " and resid 28 and name HG23))
OR
(( segid " " and resid 28 and name HG22))
OR
(( segid " " and resid 28 and name HG21))
)
6.000 6.000 0.000 peak 4975 weight 0.10000E+01 volume 0.28800E+00 ppm1 5.577 ppm2 1.155
ASSI (
(( segid " " and resid 47 and name HA ))
)(
(( segid " " and resid 47 and name HG23))
OR
(( segid " " and resid 47 and name HG22))
OR
(( segid " " and resid 47 and name HG21))
)
5.000 5.000 0.000 peak 8308 weight 0.10000E+01 volume 0.11350E+01 ppm1 5.577 ppm2 0.994
ASSI (
(( segid " " and resid 47 and name HA ))
)(
(( segid " " and resid 48 and name HB1 ))
)
6.000 6.000 0.000 peak 8307 weight 0.10000E+01 volume 0.14800E+00 ppm1 5.573 ppm2 2.388
ASSI (
(( segid " " and resid 47 and name HA ))
)(
(( segid " " and resid 48 and name HN ))
)
3.300 3.300 0.000 peak 5966 weight 0.10000E+01 volume 0.18850E+01 ppm1 5.576 ppm2 8.517
ASSI (
(( segid " " and resid 47 and name HB ))
)(
(( segid " " and resid 28 and name HG23))
OR
(( segid " " and resid 28 and name HG22))
OR
(( segid " " and resid 28 and name HG21))
)
6.000 6.000 0.000 peak 8311 weight 0.10000E+01 volume 0.23900E+00 ppm1 3.785 ppm2 1.152
ASSI (
(( segid " " and resid 47 and name HB ))
)(
(( segid " " and resid 46 and name HA ))
)
6.000 6.000 0.000 peak 8310 weight 0.10000E+01 volume 0.20900E+00 ppm1 3.783 ppm2 4.873
ASSI (
(( segid " " and resid 47 and name HB ))
)(
(( segid " " and resid 47 and name HA ))
)
5.000 5.000 0.000 peak 8309 weight 0.10000E+01 volume 0.45600E+00 ppm1 3.785 ppm2 5.591
ASSI (
(( segid " " and resid 47 and name HB ))
)(
(( segid " " and resid 47 and name HG23))
OR
(( segid " " and resid 47 and name HG22))
OR
(( segid " " and resid 47 and name HG21))
)
2.700 2.700 0.000 peak 8312 weight 0.10000E+01 volume 0.48110E+01 ppm1 3.784 ppm2 0.989
ASSI (
(( segid " " and resid 47 and name HB ))
)(
(( segid " " and resid 47 and name HN ))
)
5.000 5.000 0.000 peak 4951 weight 0.10000E+01 volume 0.11320E+01 ppm1 3.783 ppm2 8.490
ASSI (
(( segid " " and resid 47 and name HB ))
)(
(( segid " " and resid 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)
5.000 5.000 0.000 peak 8313 weight 0.10000E+01 volume 0.36400E+00 ppm1 3.782 ppm2 0.874
ASSI (
(( segid " " and resid 47 and name HB ))
)(
(( segid " " and resid 55 and name HN ))
)
6.000 6.000 0.000 peak 6591 weight 0.10000E+01 volume 0.14800E+00 ppm1 3.785 ppm2 9.612
ASSI (
(( segid " " and resid 47 and name HG23))
OR
(( segid " " and resid 47 and name HG22))
OR
(( segid " " and resid 47 and name HG21))
)(
(( segid " " and resid 47 and name HN ))
)
5.000 5.000 0.000 peak 6479 weight 0.10000E+01 volume 0.43600E+00 ppm1 0.976 ppm2 8.473
ASSI (
(( segid " " and resid 47 and name HG23))
OR
(( segid " " and resid 47 and name HG22))
OR
(( segid " " and resid 47 and name HG21))
)(
(( segid " " and resid 48 and name HN ))
)
3.300 3.300 0.000 peak 5963 weight 0.10000E+01 volume 0.16770E+01 ppm1 0.977 ppm2 8.519
ASSI (
(( segid " " and resid 48 and name HA ))
)(
(( segid " " and resid 47 and name HG23))
OR
(( segid " " and resid 47 and name HG22))
OR
(( segid " " and resid 47 and name HG21))
)
5.000 5.000 0.000 peak 4978 weight 0.10000E+01 volume 0.33200E+00 ppm1 3.973 ppm2 0.980
ASSI (
(( segid " " and resid 48 and name HA ))
)(
(( segid " " and resid 48 and name HB1 ))
)
5.000 5.000 0.000 peak 4977 weight 0.10000E+01 volume 0.38600E+00 ppm1 3.972 ppm2 2.382
ASSI (
(( segid " " and resid 48 and name HA ))
)(
(( segid " " and resid 48 and name HB2 ))
)
5.000 5.000 0.000 peak 8317 weight 0.10000E+01 volume 0.63200E+00 ppm1 3.974 ppm2 1.342
ASSI (
(( segid " " and resid 48 and name HA ))
)(
(( segid " " and resid 48 and name HN ))
)
6.000 6.000 0.000 peak 8314 weight 0.10000E+01 volume 0.21200E+00 ppm1 3.975 ppm2 8.520
ASSI (
(( segid " " and resid 48 and name HA ))
)(
(( segid " " and resid 49 and name HN ))
)
2.700 2.700 0.000 peak 5970 weight 0.10000E+01 volume 0.31560E+01 ppm1 3.976 ppm2 9.053
ASSI (
(( segid " " and resid 48 and name HA ))
)(
(( segid " " and resid 55 and name HN ))
)
5.000 5.000 0.000 peak 6592 weight 0.10000E+01 volume 0.34800E+00 ppm1 3.975 ppm2 9.615
ASSI (
(( segid " " and resid 48 and name HB1 ))
)(
(( segid " " and resid 48 and name HB2 ))
)
3.300 3.300 0.000 peak 5339 weight 0.10000E+01 volume 0.15940E+01 ppm1 2.371 ppm2 1.337
ASSI (
(( segid " " and resid 48 and name HB1 ))
)(
(( segid " " and resid 48 and name HN ))
)
5.000 5.000 0.000 peak 8319 weight 0.10000E+01 volume 0.64900E+00 ppm1 2.369 ppm2 8.523
ASSI (
(( segid " " and resid 49 and name HA ))
)(
(( segid " " and resid 49 and name HB1 ))
)
5.000 5.000 0.000 peak 8324 weight 0.10000E+01 volume 0.12460E+01 ppm1 4.800 ppm2 3.386
ASSI (
(( segid " " and resid 49 and name HA ))
)(
(( segid " " and resid 49 and name HB2 ))
)
5.000 5.000 0.000 peak 8325 weight 0.10000E+01 volume 0.10210E+01 ppm1 4.800 ppm2 2.871
ASSI (
(( segid " " and resid 49 and name HA ))
)(
(( segid " " and resid 49 and name HD22))
OR
(( segid " " and resid 49 and name HD21))
)
6.000 6.000 0.000 peak 8322 weight 0.10000E+01 volume 0.24000E+00 ppm1 4.801 ppm2 7.147
ASSI (
(( segid " " and resid 49 and name HA ))
)(
(( segid " " and resid 49 and name HN ))
)
5.000 5.000 0.000 peak 6506 weight 0.10000E+01 volume 0.49500E+00 ppm1 4.801 ppm2 9.053
ASSI (
(( segid " " and resid 49 and name HB1 ))
)(
(( segid " " and resid 49 and name HB2 ))
)
3.300 3.300 0.000 peak 8333 weight 0.10000E+01 volume 0.21630E+01 ppm1 3.369 ppm2 2.873
ASSI (
(( segid " " and resid 49 and name HB1 ))
)(
(( segid " " and resid 49 and name HD22))
OR
(( segid " " and resid 49 and name HD21))
)
5.000 5.000 0.000 peak 8326 weight 0.10000E+01 volume 0.83400E+00 ppm1 3.366 ppm2 7.139
ASSI (
(( segid " " and resid 49 and name HB1 ))
)(
(( segid " " and resid 49 and name HN ))
)
5.000 5.000 0.000 peak 6504 weight 0.10000E+01 volume 0.33600E+00 ppm1 3.367 ppm2 9.056
ASSI (
(( segid " " and resid 49 and name HB2 ))
)(
(( segid " " and resid 49 and name HD22))
OR
(( segid " " and resid 49 and name HD21))
)
5.000 5.000 0.000 peak 8328 weight 0.10000E+01 volume 0.91100E+00 ppm1 2.865 ppm2 7.143
ASSI (
(( segid " " and resid 49 and name HB2 ))
)(
(( segid " " and resid 49 and name HN ))
)
5.000 5.000 0.000 peak 6502 weight 0.10000E+01 volume 0.32100E+00 ppm1 2.864 ppm2 9.054
ASSI (
(( segid " " and resid 49 and name HB2 ))
)(
(( segid " " and resid 50 and name HN ))
)
5.000 5.000 0.000 peak 5973 weight 0.10000E+01 volume 0.10580E+01 ppm1 2.864 ppm2 8.163
ASSI (
(( segid " " and resid 50 and name HA ))
)(
(( segid " " and resid 49 and name HA ))
)
6.000 6.000 0.000 peak 8334 weight 0.10000E+01 volume 0.28600E+00 ppm1 4.122 ppm2 4.794
ASSI (
(( segid " " and resid 50 and name HA ))
)(
(( segid " " and resid 50 and name HB1 ))
)
3.300 3.300 0.000 peak 8335 weight 0.10000E+01 volume 0.19860E+01 ppm1 4.123 ppm2 3.939
ASSI (
(( segid " " and resid 50 and name HA ))
)(
(( segid " " and resid 50 and name HB2 ))
)
3.300 3.300 0.000 peak 8336 weight 0.10000E+01 volume 0.18410E+01 ppm1 4.123 ppm2 3.808
ASSI (
(( segid " " and resid 50 and name HA ))
)(
(( segid " " and resid 50 and name HN ))
)
5.000 5.000 0.000 peak 6521 weight 0.10000E+01 volume 0.75100E+00 ppm1 4.122 ppm2 8.154
ASSI (
(( segid " " and resid 50 and name HA ))
)(
(( segid " " and resid 51 and name HN ))
)
5.000 5.000 0.000 peak 5981 weight 0.10000E+01 volume 0.33900E+00 ppm1 4.122 ppm2 7.651
ASSI (
(( segid " " and resid 50 and name HA ))
)(
(( segid " " and resid 52 and name HN ))
)
5.000 5.000 0.000 peak 6549 weight 0.10000E+01 volume 0.39100E+00 ppm1 4.123 ppm2 7.916
ASSI (
(( segid " " and resid 47 and name HB ))
)(
(( segid " " and resid 49 and name HA ))
)
5.000 5.000 0.000 peak 8342 weight 0.10000E+01 volume 0.30900E+00 ppm1 3.794 ppm2 4.812
ASSI (
(( segid " " and resid 50 and name HB1 ))
)(
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)
5.000 5.000 0.000 peak 5347 weight 0.10000E+01 volume 0.12170E+01 ppm1 3.921 ppm2 1.051
ASSI (
(( segid " " and resid 50 and name HB1 ))
)(
(( segid " " and resid 49 and name HA ))
)
6.000 6.000 0.000 peak 8341 weight 0.10000E+01 volume 0.27100E+00 ppm1 3.922 ppm2 4.815
ASSI (
(( segid " " and resid 50 and name HB2 ))
)(
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)
3.300 3.300 0.000 peak 8348 weight 0.10000E+01 volume 0.18640E+01 ppm1 3.794 ppm2 1.053
ASSI (
(( segid " " and resid 51 and name HA ))
)(
(( segid " " and resid 51 and name HB1 ))
)
5.000 5.000 0.000 peak 8349 weight 0.10000E+01 volume 0.99100E+00 ppm1 4.736 ppm2 2.798
ASSI (
(( segid " " and resid 51 and name HA ))
)(
(( segid " " and resid 51 and name HB2 ))
)
5.000 5.000 0.000 peak 8350 weight 0.10000E+01 volume 0.74700E+00 ppm1 4.737 ppm2 2.561
ASSI (
(( segid " " and resid 51 and name HA ))
)(
(( segid " " and resid 52 and name HN ))
)
5.000 5.000 0.000 peak 6550 weight 0.10000E+01 volume 0.35100E+00 ppm1 4.736 ppm2 7.916
ASSI (
(( segid " " and resid 51 and name HB1 ))
)(
(( segid " " and resid 49 and name HD22))
OR
(( segid " " and resid 49 and name HD21))
)
6.000 6.000 0.000 peak 8352 weight 0.10000E+01 volume 0.29400E+00 ppm1 2.785 ppm2 7.153
ASSI (
(( segid " " and resid 51 and name HB1 ))
)(
(( segid " " and resid 51 and name HN ))
)
5.000 5.000 0.000 peak 6530 weight 0.10000E+01 volume 0.66200E+00 ppm1 2.783 ppm2 7.642
ASSI (
(( segid " " and resid 51 and name HB2 ))
)(
(( segid " " and resid 49 and name HD22))
OR
(( segid " " and resid 49 and name HD21))
)
5.000 5.000 0.000 peak 8353 weight 0.10000E+01 volume 0.34700E+00 ppm1 2.546 ppm2 7.147
ASSI (
(( segid " " and resid 51 and name HB2 ))
)(
(( segid " " and resid 51 and name HN ))
)
5.000 5.000 0.000 peak 6528 weight 0.10000E+01 volume 0.83500E+00 ppm1 2.547 ppm2 7.641
ASSI (
(( segid " " and resid 51 and name HB2 ))
)(
(( segid " " and resid 53 and name HG1 ))
)
5.000 5.000 0.000 peak 5350 weight 0.10000E+01 volume 0.35500E+00 ppm1 2.547 ppm2 2.151
ASSI (
(( segid " " and resid 52 and name HA1 ))
)(
(( segid " " and resid 52 and name HA2 ))
)
2.700 2.700 0.000 peak 8360 weight 0.10000E+01 volume 0.44770E+01 ppm1 3.686 ppm2 3.421
ASSI (
(( segid " " and resid 52 and name HA1 ))
)(
(( segid " " and resid 52 and name HN ))
)
5.000 5.000 0.000 peak 6548 weight 0.10000E+01 volume 0.75500E+00 ppm1 3.683 ppm2 7.922
ASSI (
(( segid " " and resid 52 and name HA1 ))
)(
(( segid " " and resid 53 and name HN ))
)
5.000 5.000 0.000 peak 5995 weight 0.10000E+01 volume 0.35200E+00 ppm1 3.682 ppm2 7.517
ASSI (
(( segid " " and resid 52 and name HA2 ))
)(
(( segid " " and resid 53 and name HN ))
)
5.000 5.000 0.000 peak 5993 weight 0.10000E+01 volume 0.48800E+00 ppm1 3.416 ppm2 7.522
ASSI (
(( segid " " and resid 53 and name HA ))
)(
(( segid " " and resid 53 and name HB1 ))
)
5.000 5.000 0.000 peak 8363 weight 0.10000E+01 volume 0.53500E+00 ppm1 4.487 ppm2 1.914
ASSI (
(( segid " " and resid 53 and name HA ))
)(
(( segid " " and resid 53 and name HB2 ))
)
5.000 5.000 0.000 peak 8365 weight 0.10000E+01 volume 0.46600E+00 ppm1 4.486 ppm2 1.759
ASSI (
(( segid " " and resid 53 and name HA ))
)(
(( segid " " and resid 53 and name HG1 ))
)
6.000 6.000 0.000 peak 8364 weight 0.10000E+01 volume 0.24200E+00 ppm1 4.486 ppm2 2.170
ASSI (
(( segid " " and resid 53 and name HB1 ))
)(
(( segid " " and resid 49 and name HD22))
OR
(( segid " " and resid 49 and name HD21))
)
5.000 5.000 0.000 peak 8366 weight 0.10000E+01 volume 0.32400E+00 ppm1 1.892 ppm2 7.155
ASSI (
(( segid " " and resid 53 and name HB1 ))
)(
(( segid " " and resid 53 and name HN ))
)
5.000 5.000 0.000 peak 6559 weight 0.10000E+01 volume 0.36100E+00 ppm1 1.900 ppm2 7.510
ASSI (
(( segid " " and resid 53 and name HB2 ))
)(
(( segid " " and resid 49 and name HD22))
OR
(( segid " " and resid 49 and name HD21))
)
5.000 5.000 0.000 peak 8368 weight 0.10000E+01 volume 0.44000E+00 ppm1 1.746 ppm2 7.157
ASSI (
(( segid " " and resid 53 and name HB2 ))
)(
(( segid " " and resid 53 and name HN ))
)
5.000 5.000 0.000 peak 6557 weight 0.10000E+01 volume 0.53800E+00 ppm1 1.747 ppm2 7.513
ASSI (
(( segid " " and resid 53 and name HG1 ))
)(
(( segid " " and resid 54 and name HN ))
)
3.300 3.300 0.000 peak 8371 weight 0.10000E+01 volume 0.17450E+01 ppm1 2.154 ppm2 8.383
ASSI (
(( segid " " and resid 53 and name HG2 ))
)(
(( segid " " and resid 54 and name HA ))
)
5.000 5.000 0.000 peak 8374 weight 0.10000E+01 volume 0.37800E+00 ppm1 2.047 ppm2 4.970
ASSI (
(( segid " " and resid 53 and name HG2 ))
)(
(( segid " " and resid 54 and name HN ))
)
5.000 5.000 0.000 peak 8372 weight 0.10000E+01 volume 0.13660E+01 ppm1 2.047 ppm2 8.378
ASSI (
(( segid " " and resid 53 and name HG2 ))
)(
(( segid " " and resid 55 and name HN ))
)
5.000 5.000 0.000 peak 6586 weight 0.10000E+01 volume 0.46900E+00 ppm1 2.047 ppm2 9.620
ASSI (
(( segid " " and resid 54 and name HA ))
)(
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)
6.000 6.000 0.000 peak 8377 weight 0.10000E+01 volume 0.28000E+00 ppm1 4.974 ppm2 0.022
ASSI (
(( segid " " and resid 54 and name HA ))
)(
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)
6.000 6.000 0.000 peak 8378 weight 0.10000E+01 volume 0.26000E+00 ppm1 4.974 ppm2 -0.132
ASSI (
(( segid " " and resid 54 and name HA ))
)(
(( segid " " and resid 49 and name HN ))
)
5.000 5.000 0.000 peak 6508 weight 0.10000E+01 volume 0.45900E+00 ppm1 4.973 ppm2 9.051
ASSI (
(( segid " " and resid 54 and name HA ))
)(
(( segid " " and resid 54 and name HB1 ))
)
5.000 5.000 0.000 peak 7405 weight 0.10000E+01 volume 0.10330E+01 ppm1 4.974 ppm2 3.079
ASSI (
(( segid " " and resid 54 and name HA ))
)(
(( segid " " and resid 54 and name HB2 ))
)
5.000 5.000 0.000 peak 7407 weight 0.10000E+01 volume 0.11590E+01 ppm1 4.974 ppm2 2.895
ASSI (
(( segid " " and resid 54 and name HA ))
)(
(( segid " " and resid 54 and name HE3 ))
)
5.000 5.000 0.000 peak 4963 weight 0.10000E+01 volume 0.36900E+00 ppm1 4.972 ppm2 7.073
ASSI (
(( segid " " and resid 54 and name HA ))
)(
(( segid " " and resid 54 and name HN ))
)
5.000 5.000 0.000 peak 6577 weight 0.10000E+01 volume 0.49200E+00 ppm1 4.973 ppm2 8.392
ASSI (
(( segid " " and resid 54 and name HA ))
)(
(( segid " " and resid 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)
5.000 5.000 0.000 peak 8376 weight 0.10000E+01 volume 0.43800E+00 ppm1 4.975 ppm2 0.877
ASSI (
(( segid " " and resid 54 and name HA ))
)(
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
)
5.000 5.000 0.000 peak 5622 weight 0.10000E+01 volume 0.58700E+00 ppm1 4.974 ppm2 0.956
ASSI (
(( segid " " and resid 54 and name HA ))
)(
(( segid " " and resid 55 and name HN ))
)
3.300 3.300 0.000 peak 6006 weight 0.10000E+01 volume 0.22840E+01 ppm1 4.973 ppm2 9.620
ASSI (
(( segid " " and resid 54 and name HB1 ))
)(
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)
5.000 5.000 0.000 peak 5355 weight 0.10000E+01 volume 0.38000E+00 ppm1 3.061 ppm2 0.016
ASSI (
(( segid " " and resid 54 and name HB1 ))
)(
(( segid " " and resid 54 and name HD1 ))
)
5.000 5.000 0.000 peak 7402 weight 0.10000E+01 volume 0.43600E+00 ppm1 3.072 ppm2 7.300
ASSI (
(( segid " " and resid 54 and name HB1 ))
)(
(( segid " " and resid 55 and name HN ))
)
5.000 5.000 0.000 peak 6589 weight 0.10000E+01 volume 0.32900E+00 ppm1 3.074 ppm2 9.614
ASSI (
(( segid " " and resid 54 and name HB2 ))
)(
(( segid " " and resid 54 and name HD1 ))
)
5.000 5.000 0.000 peak 7403 weight 0.10000E+01 volume 0.35900E+00 ppm1 2.899 ppm2 7.300
ASSI (
(( segid " " and resid 54 and name HB2 ))
)(
(( segid " " and resid 54 and name HE3 ))
)
5.000 5.000 0.000 peak 8379 weight 0.10000E+01 volume 0.31500E+00 ppm1 2.900 ppm2 7.068
ASSI (
(( segid " " and resid 54 and name HB2 ))
)(
(( segid " " and resid 54 and name HN ))
)
5.000 5.000 0.000 peak 6572 weight 0.10000E+01 volume 0.58300E+00 ppm1 2.900 ppm2 8.396
ASSI (
(( segid " " and resid 54 and name HD1 ))
)(
(( segid " " and resid 54 and name HE1 ))
)
5.000 5.000 0.000 peak 6666 weight 0.10000E+01 volume 0.71400E+00 ppm1 7.276 ppm2 10.005
ASSI (
(( segid " " and resid 54 and name HD1 ))
)(
(( segid " " and resid 54 and name HN ))
)
5.000 5.000 0.000 peak 6580 weight 0.10000E+01 volume 0.32300E+00 ppm1 7.276 ppm2 8.392
ASSI (
(( segid " " and resid 54 and name HE3 ))
)(
(( segid " " and resid 47 and name HN ))
)
6.000 6.000 0.000 peak 6486 weight 0.10000E+01 volume 0.19600E+00 ppm1 7.054 ppm2 8.491
ASSI (
(( segid " " and resid 54 and name HE3 ))
)(
(( segid " " and resid 54 and name HB1 ))
)
6.000 6.000 0.000 peak 8382 weight 0.10000E+01 volume 0.17000E+00 ppm1 7.053 ppm2 3.079
ASSI (
(( segid " " and resid 54 and name HE3 ))
)(
(( segid " " and resid 54 and name HZ3 ))
)
5.000 5.000 0.000 peak 7466 weight 0.10000E+01 volume 0.35600E+00 ppm1 7.056 ppm2 6.700
ASSI (
(( segid " " and resid 54 and name HH2 ))
)(
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)
5.000 5.000 0.000 peak 8002 weight 0.10000E+01 volume 0.49100E+00 ppm1 6.228 ppm2 0.078
ASSI (
(( segid " " and resid 54 and name HH2 ))
)(
(( segid " " and resid 54 and name HZ2 ))
)
5.000 5.000 0.000 peak 6704 weight 0.10000E+01 volume 0.38500E+00 ppm1 6.230 ppm2 6.957
ASSI (
(( segid " " and resid 54 and name HZ3 ))
)(
(( segid " " and resid 54 and name HH2 ))
)
5.000 5.000 0.000 peak 6707 weight 0.10000E+01 volume 0.37100E+00 ppm1 6.702 ppm2 6.240
ASSI (
(( segid " " and resid 55 and name HA ))
)(
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
)
3.300 3.300 0.000 peak 8388 weight 0.10000E+01 volume 0.18280E+01 ppm1 4.433 ppm2 0.967
ASSI (
(( segid " " and resid 55 and name HA ))
)(
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)
5.000 5.000 0.000 peak 8386 weight 0.10000E+01 volume 0.31500E+00 ppm1 4.432 ppm2 6.830
ASSI (
(( segid " " and resid 55 and name HB ))
)(
(( segid " " and resid 47 and name HB ))
)
5.000 5.000 0.000 peak 5362 weight 0.10000E+01 volume 0.72600E+00 ppm1 2.046 ppm2 3.789
ASSI (
(( segid " " and resid 55 and name HB ))
)(
(( segid " " and resid 47 and name HN ))
)
5.000 5.000 0.000 peak 8390 weight 0.10000E+01 volume 0.36500E+00 ppm1 2.049 ppm2 8.498
ASSI (
(( segid " " and resid 55 and name HB ))
)(
(( segid " " and resid 54 and name HB2 ))
)
6.000 6.000 0.000 peak 8392 weight 0.10000E+01 volume 0.24800E+00 ppm1 2.050 ppm2 2.882
ASSI (
(( segid " " and resid 55 and name HB ))
)(
(( segid " " and resid 55 and name HA ))
)
3.300 3.300 0.000 peak 8391 weight 0.10000E+01 volume 0.17870E+01 ppm1 2.050 ppm2 4.452
ASSI (
(( segid " " and resid 55 and name HB ))
)(
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
)
3.300 3.300 0.000 peak 8394 weight 0.10000E+01 volume 0.17860E+01 ppm1 2.051 ppm2 0.974
ASSI (
(( segid " " and resid 55 and name HB ))
)(
(( segid " " and resid 55 and name HN ))
)
5.000 5.000 0.000 peak 8389 weight 0.10000E+01 volume 0.84100E+00 ppm1 2.048 ppm2 9.619
ASSI (
(( segid " " and resid 55 and name HB ))
)(
(( segid " " and resid 56 and name HN ))
)
5.000 5.000 0.000 peak 6012 weight 0.10000E+01 volume 0.48100E+00 ppm1 2.051 ppm2 7.810
ASSI (
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
)(
(( segid " " and resid 49 and name HD22))
OR
(( segid " " and resid 49 and name HD21))
)
3.300 3.300 0.000 peak 8405 weight 0.10000E+01 volume 0.29950E+01 ppm1 0.958 ppm2 7.143
ASSI (
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
)(
(( segid " " and resid 49 and name HN ))
)
5.000 5.000 0.000 peak 5968 weight 0.10000E+01 volume 0.64500E+00 ppm1 0.958 ppm2 9.052
ASSI (
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
)(
(( segid " " and resid 50 and name HN ))
)
5.000 5.000 0.000 peak 6517 weight 0.10000E+01 volume 0.43300E+00 ppm1 0.958 ppm2 8.160
ASSI (
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
)(
(( segid " " and resid 53 and name HN ))
)
6.000 6.000 0.000 peak 6555 weight 0.10000E+01 volume 0.18200E+00 ppm1 0.958 ppm2 7.509
ASSI (
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
)(
(( segid " " and resid 55 and name HN ))
)
3.300 3.300 0.000 peak 6584 weight 0.10000E+01 volume 0.17350E+01 ppm1 0.958 ppm2 9.615
ASSI (
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
)(
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)
5.000 5.000 0.000 peak 8407 weight 0.10000E+01 volume 0.36700E+00 ppm1 0.958 ppm2 6.837
ASSI (
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
)(
(( segid " " and resid 56 and name HN ))
)
3.300 3.300 0.000 peak 8403 weight 0.10000E+01 volume 0.15930E+01 ppm1 0.956 ppm2 7.818
ASSI (
(( segid " " and resid 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)(
(( segid " " and resid 49 and name HB1 ))
)
5.000 5.000 0.000 peak 8401 weight 0.10000E+01 volume 0.11010E+01 ppm1 0.875 ppm2 3.381
ASSI (
(( segid " " and resid 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)(
(( segid " " and resid 49 and name HB2 ))
)
3.300 3.300 0.000 peak 8400 weight 0.10000E+01 volume 0.15390E+01 ppm1 0.875 ppm2 2.881
ASSI (
(( segid " " and resid 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)(
(( segid " " and resid 49 and name HD22))
OR
(( segid " " and resid 49 and name HD21))
)
3.300 3.300 0.000 peak 8396 weight 0.10000E+01 volume 0.26000E+01 ppm1 0.875 ppm2 7.145
ASSI (
(( segid " " and resid 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)(
(( segid " " and resid 55 and name HA ))
)
2.700 2.700 0.000 peak 8398 weight 0.10000E+01 volume 0.31680E+01 ppm1 0.875 ppm2 4.453
ASSI (
(( segid " " and resid 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)(
(( segid " " and resid 55 and name HB ))
)
2.700 2.700 0.000 peak 8402 weight 0.10000E+01 volume 0.58730E+01 ppm1 0.874 ppm2 2.068
ASSI (
(( segid " " and resid 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)(
(( segid " " and resid 55 and name HN ))
)
5.000 5.000 0.000 peak 8395 weight 0.10000E+01 volume 0.13590E+01 ppm1 0.875 ppm2 9.608
ASSI (
(( segid " " and resid 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)(
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)
5.000 5.000 0.000 peak 8397 weight 0.10000E+01 volume 0.30000E+00 ppm1 0.872 ppm2 6.835
ASSI (
(( segid " " and resid 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)(
(( segid " " and resid 56 and name HN ))
)
3.300 3.300 0.000 peak 6599 weight 0.10000E+01 volume 0.17460E+01 ppm1 0.876 ppm2 7.809
ASSI (
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
)(
(( segid " " and resid 49 and name HB1 ))
)
3.300 3.300 0.000 peak 5343 weight 0.10000E+01 volume 0.16300E+01 ppm1 0.957 ppm2 3.374
ASSI (
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
)(
(( segid " " and resid 49 and name HB2 ))
)
3.300 3.300 0.000 peak 5345 weight 0.10000E+01 volume 0.21090E+01 ppm1 0.959 ppm2 2.873
ASSI (
(( segid " " and resid 56 and name HB1 ))
)(
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)
6.000 6.000 0.000 peak 8414 weight 0.10000E+01 volume 0.24300E+00 ppm1 3.645 ppm2 -0.151
ASSI (
(( segid " " and resid 56 and name HB1 ))
)(
(( segid " " and resid 56 and name HA ))
)
5.000 5.000 0.000 peak 8408 weight 0.10000E+01 volume 0.38800E+00 ppm1 3.641 ppm2 5.000
ASSI (
(( segid " " and resid 56 and name HB1 ))
)(
(( segid " " and resid 56 and name HB2 ))
)
5.000 5.000 0.000 peak 5364 weight 0.10000E+01 volume 0.51300E+00 ppm1 3.639 ppm2 3.214
ASSI (
(( segid " " and resid 56 and name HB1 ))
)(
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)
5.000 5.000 0.000 peak 7408 weight 0.10000E+01 volume 0.37200E+00 ppm1 3.642 ppm2 6.836
ASSI (
(( segid " " and resid 56 and name HB2 ))
)(
(( segid " " and resid 56 and name HA ))
)
5.000 5.000 0.000 peak 8409 weight 0.10000E+01 volume 0.54700E+00 ppm1 3.200 ppm2 5.000
ASSI (
(( segid " " and resid 56 and name HB2 ))
)(
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)
5.000 5.000 0.000 peak 7409 weight 0.10000E+01 volume 0.60200E+00 ppm1 3.206 ppm2 6.836
ASSI (
(( segid " " and resid 56 and name HB2 ))
)(
(( segid " " and resid 57 and name HN ))
)
5.000 5.000 0.000 peak 6608 weight 0.10000E+01 volume 0.34000E+00 ppm1 3.202 ppm2 8.539
ASSI (
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)(
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)
5.000 5.000 0.000 peak 8419 weight 0.10000E+01 volume 0.36300E+00 ppm1 6.813 ppm2 -0.134
ASSI (
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)(
(( segid " " and resid 54 and name HB1 ))
)
6.000 6.000 0.000 peak 8417 weight 0.10000E+01 volume 0.19000E+00 ppm1 6.814 ppm2 3.085
ASSI (
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)(
(( segid " " and resid 54 and name HB2 ))
)
6.000 6.000 0.000 peak 8418 weight 0.10000E+01 volume 0.19400E+00 ppm1 6.813 ppm2 2.910
ASSI (
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)(
(( segid " " and resid 56 and name HA ))
)
5.000 5.000 0.000 peak 8415 weight 0.10000E+01 volume 0.34400E+00 ppm1 6.813 ppm2 5.001
ASSI (
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)(
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
)
2.700 2.700 0.000 peak 7413 weight 0.10000E+01 volume 0.38050E+01 ppm1 6.814 ppm2 6.648
ASSI (
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)(
(( segid " " and resid 56 and name HN ))
)
6.000 6.000 0.000 peak 6601 weight 0.10000E+01 volume 0.28900E+00 ppm1 6.813 ppm2 7.802
ASSI (
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
)(
(( segid " " and resid 6 and name HG1 ))
)
6.000 6.000 0.000 peak 7672 weight 0.10000E+01 volume 0.21600E+00 ppm1 6.647 ppm2 1.998
ASSI (
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
)(
(( segid " " and resid 6 and name HG2 ))
)
5.000 5.000 0.000 peak 7673 weight 0.10000E+01 volume 0.41200E+00 ppm1 6.647 ppm2 1.460
ASSI (
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
)(
(( segid " " and resid 54 and name HB1 ))
)
5.000 5.000 0.000 peak 8421 weight 0.10000E+01 volume 0.55700E+00 ppm1 6.647 ppm2 3.080
ASSI (
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
)(
(( segid " " and resid 54 and name HB2 ))
)
6.000 6.000 0.000 peak 8422 weight 0.10000E+01 volume 0.17900E+00 ppm1 6.647 ppm2 2.904
ASSI (
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
)(
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)
2.700 2.700 0.000 peak 7489 weight 0.10000E+01 volume 0.38530E+01 ppm1 6.649 ppm2 6.818
ASSI (
(( segid " " and resid 57 and name HA ))
)(
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)
6.000 6.000 0.000 peak 8424 weight 0.10000E+01 volume 0.18200E+00 ppm1 4.875 ppm2 6.827
ASSI (
(( segid " " and resid 57 and name HA ))
)(
(( segid " " and resid 57 and name HN ))
)
5.000 5.000 0.000 peak 8423 weight 0.10000E+01 volume 0.63600E+00 ppm1 4.876 ppm2 8.550
ASSI (
(( segid " " and resid 57 and name HA ))
)(
(( segid " " and resid 58 and name HA ))
)
6.000 6.000 0.000 peak 4989 weight 0.10000E+01 volume 0.18800E+00 ppm1 4.876 ppm2 3.595
ASSI (
(( segid " " and resid 57 and name HA ))
)(
(( segid " " and resid 58 and name HB ))
)
6.000 6.000 0.000 peak 4987 weight 0.10000E+01 volume 0.24500E+00 ppm1 4.876 ppm2 3.862
ASSI (
(( segid " " and resid 57 and name HA ))
)(
(( segid " " and resid 58 and name HN ))
)
3.300 3.300 0.000 peak 6024 weight 0.10000E+01 volume 0.17680E+01 ppm1 4.876 ppm2 8.274
ASSI (
(( segid " " and resid 57 and name HB2 ))
OR
(( segid " " and resid 57 and name HB1 ))
)(
(( segid " " and resid 56 and name HA ))
)
5.000 5.000 0.000 peak 8429 weight 0.10000E+01 volume 0.78700E+00 ppm1 2.664 ppm2 5.005
ASSI (
(( segid " " and resid 57 and name HB2 ))
OR
(( segid " " and resid 57 and name HB1 ))
)(
(( segid " " and resid 57 and name HA ))
)
2.700 2.700 0.000 peak 8430 weight 0.10000E+01 volume 0.31590E+01 ppm1 2.665 ppm2 4.890
ASSI (
(( segid " " and resid 57 and name HB2 ))
OR
(( segid " " and resid 57 and name HB1 ))
)(
(( segid " " and resid 57 and name HD21))
)
5.000 5.000 0.000 peak 4990 weight 0.10000E+01 volume 0.12230E+01 ppm1 2.665 ppm2 7.302
ASSI (
(( segid " " and resid 57 and name HB2 ))
OR
(( segid " " and resid 57 and name HB1 ))
)(
(( segid " " and resid 57 and name HD22))
)
5.000 5.000 0.000 peak 8426 weight 0.10000E+01 volume 0.39100E+00 ppm1 2.665 ppm2 6.585
ASSI (
(( segid " " and resid 57 and name HB2 ))
OR
(( segid " " and resid 57 and name HB1 ))
)(
(( segid " " and resid 57 and name HN ))
)
5.000 5.000 0.000 peak 6606 weight 0.10000E+01 volume 0.85800E+00 ppm1 2.665 ppm2 8.547
ASSI (
(( segid " " and resid 57 and name HB2 ))
OR
(( segid " " and resid 57 and name HB1 ))
)(
(( segid " " and resid 58 and name HB ))
)
5.000 5.000 0.000 peak 5366 weight 0.10000E+01 volume 0.40200E+00 ppm1 2.665 ppm2 3.858
ASSI (
(( segid " " and resid 57 and name HB2 ))
OR
(( segid " " and resid 57 and name HB1 ))
)(
(( segid " " and resid 58 and name HN ))
)
3.300 3.300 0.000 peak 6021 weight 0.10000E+01 volume 0.18420E+01 ppm1 2.665 ppm2 8.266
ASSI (
(( segid " " and resid 58 and name HA ))
)(
(( segid " " and resid 58 and name HB ))
)
5.000 5.000 0.000 peak 8434 weight 0.10000E+01 volume 0.93800E+00 ppm1 3.572 ppm2 3.855
ASSI (
(( segid " " and resid 58 and name HA ))
)(
(( segid " " and resid 59 and name HZ ))
)
6.000 6.000 0.000 peak 8433 weight 0.10000E+01 volume 0.28900E+00 ppm1 3.571 ppm2 6.320
ASSI (
(( segid " " and resid 58 and name HA ))
)(
(( segid " " and resid 60 and name HN ))
)
6.000 6.000 0.000 peak 6620 weight 0.10000E+01 volume 0.20000E+00 ppm1 3.571 ppm2 6.531
ASSI (
(( segid " " and resid 58 and name HB ))
)(
(( segid " " and resid 58 and name HG23))
OR
(( segid " " and resid 58 and name HG22))
OR
(( segid " " and resid 58 and name HG21))
)
3.300 3.300 0.000 peak 8438 weight 0.10000E+01 volume 0.24000E+01 ppm1 3.852 ppm2 0.540
ASSI (
(( segid " " and resid 58 and name HB ))
)(
(( segid " " and resid 59 and name HA ))
)
5.000 5.000 0.000 peak 8436 weight 0.10000E+01 volume 0.54000E+00 ppm1 3.852 ppm2 4.629
ASSI (
(( segid " " and resid 58 and name HG23))
OR
(( segid " " and resid 58 and name HG22))
OR
(( segid " " and resid 58 and name HG21))
)(
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
)
5.000 5.000 0.000 peak 8441 weight 0.10000E+01 volume 0.86300E+00 ppm1 0.526 ppm2 6.664
ASSI (
(( segid " " and resid 58 and name HG23))
OR
(( segid " " and resid 58 and name HG22))
OR
(( segid " " and resid 58 and name HG21))
)(
(( segid " " and resid 58 and name HA ))
)
3.300 3.300 0.000 peak 5623 weight 0.10000E+01 volume 0.17070E+01 ppm1 0.524 ppm2 3.578
ASSI (
(( segid " " and resid 58 and name HG23))
OR
(( segid " " and resid 58 and name HG22))
OR
(( segid " " and resid 58 and name HG21))
)(
(( segid " " and resid 58 and name HN ))
)
5.000 5.000 0.000 peak 8439 weight 0.10000E+01 volume 0.47100E+00 ppm1 0.525 ppm2 8.274
ASSI (
(( segid " " and resid 58 and name HG23))
OR
(( segid " " and resid 58 and name HG22))
OR
(( segid " " and resid 58 and name HG21))
)(
(( segid " " and resid 59 and name HA ))
)
5.000 5.000 0.000 peak 5626 weight 0.10000E+01 volume 0.50000E+00 ppm1 0.524 ppm2 4.634
ASSI (
(( segid " " and resid 58 and name HG23))
OR
(( segid " " and resid 58 and name HG22))
OR
(( segid " " and resid 58 and name HG21))
)(
(( segid " " and resid 60 and name HN ))
)
5.000 5.000 0.000 peak 6618 weight 0.10000E+01 volume 0.51000E+00 ppm1 0.527 ppm2 6.533
ASSI (
(( segid " " and resid 58 and name HG23))
OR
(( segid " " and resid 58 and name HG22))
OR
(( segid " " and resid 58 and name HG21))
)(
(( segid " " and resid 61 and name HA ))
)
5.000 5.000 0.000 peak 8444 weight 0.10000E+01 volume 0.40700E+00 ppm1 0.525 ppm2 4.487
ASSI (
(( segid " " and resid 59 and name HB1 ))
)(
(( segid " " and resid 59 and name HA ))
)
5.000 5.000 0.000 peak 5367 weight 0.10000E+01 volume 0.45400E+00 ppm1 3.567 ppm2 4.654
ASSI (
(( segid " " and resid 59 and name HB1 ))
)(
(( segid " " and resid 59 and name HB2 ))
)
5.000 5.000 0.000 peak 5371 weight 0.10000E+01 volume 0.71600E+00 ppm1 3.565 ppm2 2.937
ASSI (
(( segid " " and resid 59 and name HB1 ))
)(
(( segid " " and resid 59 and name HD2 ))
OR
(( segid " " and resid 59 and name HD1 ))
)
6.000 6.000 0.000 peak 7415 weight 0.10000E+01 volume 0.23000E+00 ppm1 3.570 ppm2 7.736
ASSI (
(( segid " " and resid 59 and name HB2 ))
)(
(( segid " " and resid 59 and name HA ))
)
5.000 5.000 0.000 peak 5368 weight 0.10000E+01 volume 0.80000E+00 ppm1 2.918 ppm2 4.653
ASSI (
(( segid " " and resid 59 and name HB2 ))
)(
(( segid " " and resid 59 and name HD2 ))
OR
(( segid " " and resid 59 and name HD1 ))
)
5.000 5.000 0.000 peak 7414 weight 0.10000E+01 volume 0.50600E+00 ppm1 2.919 ppm2 7.733
ASSI (
(( segid " " and resid 59 and name HD2 ))
OR
(( segid " " and resid 59 and name HD1 ))
)(
(( segid " " and resid 59 and name HE2 ))
OR
(( segid " " and resid 59 and name HE1 ))
)
5.000 5.000 0.000 peak 7375 weight 0.10000E+01 volume 0.69000E+00 ppm1 7.735 ppm2 6.912
ASSI (
(( segid " " and resid 59 and name HE2 ))
OR
(( segid " " and resid 59 and name HE1 ))
)(
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)
5.000 5.000 0.000 peak 7381 weight 0.10000E+01 volume 0.77200E+00 ppm1 6.895 ppm2 1.240
ASSI (
(( segid " " and resid 59 and name HE2 ))
OR
(( segid " " and resid 59 and name HE1 ))
)(
(( segid " " and resid 31 and name HB2 ))
)
6.000 6.000 0.000 peak 8447 weight 0.10000E+01 volume 0.27600E+00 ppm1 6.897 ppm2 2.516
ASSI (
(( segid " " and resid 59 and name HE2 ))
OR
(( segid " " and resid 59 and name HE1 ))
)(
(( segid " " and resid 59 and name HD2 ))
OR
(( segid " " and resid 59 and name HD1 ))
)
5.000 5.000 0.000 peak 7376 weight 0.10000E+01 volume 0.84300E+00 ppm1 6.896 ppm2 7.743
ASSI (
(( segid " " and resid 59 and name HE2 ))
OR
(( segid " " and resid 59 and name HE1 ))
)(
(( segid " " and resid 59 and name HZ ))
)
5.000 5.000 0.000 peak 7378 weight 0.10000E+01 volume 0.10690E+01 ppm1 6.895 ppm2 6.336
ASSI (
(( segid " " and resid 59 and name HZ ))
)(
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)
6.000 6.000 0.000 peak 7417 weight 0.10000E+01 volume 0.19600E+00 ppm1 6.326 ppm2 1.247
ASSI (
(( segid " " and resid 60 and name HA ))
)(
(( segid " " and resid 60 and name HB2 ))
OR
(( segid " " and resid 60 and name HB1 ))
)
5.000 5.000 0.000 peak 8448 weight 0.10000E+01 volume 0.35400E+00 ppm1 5.539 ppm2 2.996
ASSI (
(( segid " " and resid 60 and name HA ))
)(
(( segid " " and resid 61 and name HN ))
)
5.000 5.000 0.000 peak 5214 weight 0.10000E+01 volume 0.87200E+00 ppm1 5.539 ppm2 9.227
ASSI (
(( segid " " and resid 60 and name HB2 ))
OR
(( segid " " and resid 60 and name HB1 ))
)(
(( segid " " and resid 10 and name HD2 ))
OR
(( segid " " and resid 10 and name HD1 ))
)
5.000 5.000 0.000 peak 7579 weight 0.10000E+01 volume 0.10660E+01 ppm1 2.997 ppm2 6.672
ASSI (
(( segid " " and resid 61 and name HA ))
)(
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)
5.000 5.000 0.000 peak 8449 weight 0.10000E+01 volume 0.79500E+00 ppm1 4.468 ppm2 0.719
ASSI (
(( segid " " and resid 61 and name HB ))
)(
(( segid " " and resid 61 and name HA ))
)
3.300 3.300 0.000 peak 8452 weight 0.10000E+01 volume 0.24870E+01 ppm1 1.718 ppm2 4.485
ASSI (
(( segid " " and resid 61 and name HB ))
)(
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)
2.700 2.700 0.000 peak 8456 weight 0.10000E+01 volume 0.37490E+01 ppm1 1.719 ppm2 0.726
ASSI (
(( segid " " and resid 61 and name HB ))
)(
(( segid " " and resid 61 and name HN ))
)
5.000 5.000 0.000 peak 8450 weight 0.10000E+01 volume 0.30600E+00 ppm1 1.716 ppm2 9.235
ASSI (
(( segid " " and resid 61 and name HB ))
)(
(( segid " " and resid 62 and name HA ))
)
6.000 6.000 0.000 peak 8453 weight 0.10000E+01 volume 0.23000E+00 ppm1 1.720 ppm2 3.926
ASSI (
(( segid " " and resid 61 and name HD13))
OR
(( segid " " and resid 61 and name HD12))
OR
(( segid " " and resid 61 and name HD11))
)(
(( segid " " and resid 40 and name HN ))
)
5.000 5.000 0.000 peak 6433 weight 0.10000E+01 volume 0.70600E+00 ppm1 0.699 ppm2 8.429
ASSI (
(( segid " " and resid 61 and name HG11))
)(
(( segid " " and resid 61 and name HA ))
)
5.000 5.000 0.000 peak 8460 weight 0.10000E+01 volume 0.46000E+00 ppm1 1.229 ppm2 4.488
ASSI (
(( segid " " and resid 61 and name HG11))
)(
(( segid " " and resid 61 and name HB ))
)
3.300 3.300 0.000 peak 8455 weight 0.10000E+01 volume 0.15160E+01 ppm1 1.229 ppm2 1.726
ASSI (
(( segid " " and resid 61 and name HG11))
)(
(( segid " " and resid 61 and name HN ))
)
5.000 5.000 0.000 peak 8459 weight 0.10000E+01 volume 0.48500E+00 ppm1 1.229 ppm2 9.230
ASSI (
(( segid " " and resid 61 and name HG12))
)(
(( segid " " and resid 61 and name HA ))
)
5.000 5.000 0.000 peak 8464 weight 0.10000E+01 volume 0.54200E+00 ppm1 0.900 ppm2 4.490
ASSI (
(( segid " " and resid 61 and name HG12))
)(
(( segid " " and resid 61 and name HB ))
)
3.300 3.300 0.000 peak 8466 weight 0.10000E+01 volume 0.16930E+01 ppm1 0.900 ppm2 1.722
ASSI (
(( segid " " and resid 61 and name HG12))
)(
(( segid " " and resid 61 and name HG11))
)
2.700 2.700 0.000 peak 8467 weight 0.10000E+01 volume 0.63350E+01 ppm1 0.900 ppm2 1.243
ASSI (
(( segid " " and resid 61 and name HG12))
)(
(( segid " " and resid 61 and name HN ))
)
5.000 5.000 0.000 peak 8463 weight 0.10000E+01 volume 0.53300E+00 ppm1 0.899 ppm2 9.229
ASSI (
(( segid " " and resid 61 and name HG12))
)(
(( segid " " and resid 62 and name HA ))
)
5.000 5.000 0.000 peak 8465 weight 0.10000E+01 volume 0.30100E+00 ppm1 0.900 ppm2 3.920
ASSI (
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)(
(( segid " " and resid 40 and name HB2 ))
)
5.000 5.000 0.000 peak 5310 weight 0.10000E+01 volume 0.62200E+00 ppm1 0.714 ppm2 3.475
ASSI (
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)(
(( segid " " and resid 60 and name HA ))
)
6.000 6.000 0.000 peak 8472 weight 0.10000E+01 volume 0.19000E+00 ppm1 0.715 ppm2 5.545
ASSI (
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)(
(( segid " " and resid 61 and name HG11))
)
5.000 5.000 0.000 peak 8474 weight 0.10000E+01 volume 0.12220E+01 ppm1 0.717 ppm2 1.238
ASSI (
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)(
(( segid " " and resid 61 and name HN ))
)
5.000 5.000 0.000 peak 8468 weight 0.10000E+01 volume 0.47400E+00 ppm1 0.715 ppm2 9.231
ASSI (
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)(
(( segid " " and resid 63 and name HE1 ))
)
5.000 5.000 0.000 peak 5629 weight 0.10000E+01 volume 0.71100E+00 ppm1 0.714 ppm2 2.703
ASSI (
(( segid " " and resid 62 and name HA ))
)(
(( segid " " and resid 61 and name HN ))
)
6.000 6.000 0.000 peak 8475 weight 0.10000E+01 volume 0.17300E+00 ppm1 3.918 ppm2 9.232
ASSI (
(( segid " " and resid 62 and name HA ))
)(
(( segid " " and resid 62 and name HB1 ))
)
5.000 5.000 0.000 peak 8478 weight 0.10000E+01 volume 0.46900E+00 ppm1 3.918 ppm2 2.774
ASSI (
(( segid " " and resid 62 and name HA ))
)(
(( segid " " and resid 62 and name HB2 ))
)
5.000 5.000 0.000 peak 8479 weight 0.10000E+01 volume 0.49000E+00 ppm1 3.918 ppm2 2.542
ASSI (
(( segid " " and resid 62 and name HA ))
)(
(( segid " " and resid 62 and name HD2 ))
OR
(( segid " " and resid 62 and name HD1 ))
)
5.000 5.000 0.000 peak 8477 weight 0.10000E+01 volume 0.50500E+00 ppm1 3.923 ppm2 6.558
ASSI (
(( segid " " and resid 62 and name HA ))
)(
(( segid " " and resid 63 and name HN ))
)
3.300 3.300 0.000 peak 6033 weight 0.10000E+01 volume 0.15060E+01 ppm1 3.916 ppm2 7.810
ASSI (
(( segid " " and resid 62 and name HB1 ))
)(
(( segid " " and resid 62 and name HB2 ))
)
3.300 3.300 0.000 peak 8485 weight 0.10000E+01 volume 0.27130E+01 ppm1 2.765 ppm2 2.536
ASSI (
(( segid " " and resid 62 and name HB1 ))
)(
(( segid " " and resid 62 and name HD2 ))
OR
(( segid " " and resid 62 and name HD1 ))
)
5.000 5.000 0.000 peak 7420 weight 0.10000E+01 volume 0.79500E+00 ppm1 2.765 ppm2 6.552
ASSI (
(( segid " " and resid 62 and name HB1 ))
)(
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)
5.000 5.000 0.000 peak 8481 weight 0.10000E+01 volume 0.62400E+00 ppm1 2.768 ppm2 6.698
ASSI (
(( segid " " and resid 62 and name HB2 ))
)(
(( segid " " and resid 62 and name HD2 ))
OR
(( segid " " and resid 62 and name HD1 ))
)
5.000 5.000 0.000 peak 7418 weight 0.10000E+01 volume 0.69500E+00 ppm1 2.537 ppm2 6.551
ASSI (
(( segid " " and resid 62 and name HB2 ))
)(
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)
5.000 5.000 0.000 peak 7419 weight 0.10000E+01 volume 0.64500E+00 ppm1 2.537 ppm2 6.695
ASSI (
(( segid " " and resid 62 and name HD2 ))
OR
(( segid " " and resid 62 and name HD1 ))
)(
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)
2.700 2.700 0.000 peak 7428 weight 0.10000E+01 volume 0.86060E+01 ppm1 6.547 ppm2 6.693
ASSI (
(( segid " " and resid 62 and name HD2 ))
OR
(( segid " " and resid 62 and name HD1 ))
)(
(( segid " " and resid 62 and name HH ))
)
5.000 5.000 0.000 peak 8486 weight 0.10000E+01 volume 0.30800E+00 ppm1 6.547 ppm2 8.383
ASSI (
(( segid " " and resid 62 and name HD2 ))
OR
(( segid " " and resid 62 and name HD1 ))
)(
(( segid " " and resid 63 and name HB1 ))
)
6.000 6.000 0.000 peak 8490 weight 0.10000E+01 volume 0.17200E+00 ppm1 6.548 ppm2 1.435
ASSI (
(( segid " " and resid 62 and name HD2 ))
OR
(( segid " " and resid 62 and name HD1 ))
)(
(( segid " " and resid 83 and name HB2 ))
OR
(( segid " " and resid 83 and name HB1 ))
)
6.000 6.000 0.000 peak 8488 weight 0.10000E+01 volume 0.17200E+00 ppm1 6.548 ppm2 3.746
ASSI (
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)(
(( segid " " and resid 34 and name HN ))
)
5.000 5.000 0.000 peak 8493 weight 0.10000E+01 volume 0.43800E+00 ppm1 6.689 ppm2 7.370
ASSI (
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)(
(( segid " " and resid 62 and name HH ))
)
5.000 5.000 0.000 peak 8491 weight 0.10000E+01 volume 0.51400E+00 ppm1 6.689 ppm2 8.385
ASSI (
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)(
(( segid " " and resid 64 and name HD2 ))
OR
(( segid " " and resid 64 and name HD1 ))
)
5.000 5.000 0.000 peak 8552 weight 0.10000E+01 volume 0.45900E+00 ppm1 6.687 ppm2 3.097
ASSI (
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)(
(( segid " " and resid 83 and name HB2 ))
OR
(( segid " " and resid 83 and name HB1 ))
)
5.000 5.000 0.000 peak 6941 weight 0.10000E+01 volume 0.73900E+00 ppm1 6.687 ppm2 3.737
ASSI (
(( segid " " and resid 63 and name HA ))
)(
(( segid " " and resid 63 and name HB1 ))
)
3.300 3.300 0.000 peak 8500 weight 0.10000E+01 volume 0.17410E+01 ppm1 4.144 ppm2 1.439
ASSI (
(( segid " " and resid 63 and name HA ))
)(
(( segid " " and resid 63 and name HG1 ))
)
5.000 5.000 0.000 peak 8502 weight 0.10000E+01 volume 0.76100E+00 ppm1 4.144 ppm2 1.158
ASSI (
(( segid " " and resid 63 and name HA ))
)(
(( segid " " and resid 63 and name HG2 ))
)
5.000 5.000 0.000 peak 8503 weight 0.10000E+01 volume 0.80000E+00 ppm1 4.144 ppm2 1.018
ASSI (
(( segid " " and resid 63 and name HA ))
)(
(( segid " " and resid 64 and name HN ))
)
2.700 2.700 0.000 peak 6042 weight 0.10000E+01 volume 0.36910E+01 ppm1 4.143 ppm2 7.727
ASSI (
(( segid " " and resid 63 and name HB1 ))
)(
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 8179 weight 0.10000E+01 volume 0.58600E+00 ppm1 1.420 ppm2 0.526
ASSI (
(( segid " " and resid 63 and name HB1 ))
)(
(( segid " " and resid 63 and name HB2 ))
)
3.300 3.300 0.000 peak 8511 weight 0.10000E+01 volume 0.16670E+01 ppm1 1.423 ppm2 1.246
ASSI (
(( segid " " and resid 63 and name HB1 ))
)(
(( segid " " and resid 63 and name HG2 ))
)
5.000 5.000 0.000 peak 5377 weight 0.10000E+01 volume 0.61900E+00 ppm1 1.423 ppm2 1.015
ASSI (
(( segid " " and resid 63 and name HB1 ))
)(
(( segid " " and resid 64 and name HN ))
)
5.000 5.000 0.000 peak 8506 weight 0.10000E+01 volume 0.34800E+00 ppm1 1.423 ppm2 7.729
ASSI (
(( segid " " and resid 63 and name HB2 ))
)(
(( segid " " and resid 63 and name HA ))
)
5.000 5.000 0.000 peak 8509 weight 0.10000E+01 volume 0.52900E+00 ppm1 1.245 ppm2 4.159
ASSI (
(( segid " " and resid 63 and name HB2 ))
)(
(( segid " " and resid 63 and name HG2 ))
)
5.000 5.000 0.000 peak 5378 weight 0.10000E+01 volume 0.73600E+00 ppm1 1.246 ppm2 1.016
ASSI (
(( segid " " and resid 63 and name HB2 ))
)(
(( segid " " and resid 63 and name HN ))
)
6.000 6.000 0.000 peak 8504 weight 0.10000E+01 volume 0.29700E+00 ppm1 1.246 ppm2 7.816
ASSI (
(( segid " " and resid 63 and name HB2 ))
)(
(( segid " " and resid 64 and name HN ))
)
6.000 6.000 0.000 peak 8507 weight 0.10000E+01 volume 0.29500E+00 ppm1 1.245 ppm2 7.729
ASSI (
(( segid " " and resid 63 and name HD1 ))
)(
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 8534 weight 0.10000E+01 volume 0.96500E+00 ppm1 1.465 ppm2 0.545
ASSI (
(( segid " " and resid 63 and name HD1 ))
)(
(( segid " " and resid 63 and name HA ))
)
5.000 5.000 0.000 peak 8522 weight 0.10000E+01 volume 0.42900E+00 ppm1 1.463 ppm2 4.160
ASSI (
(( segid " " and resid 63 and name HD1 ))
)(
(( segid " " and resid 63 and name HD2 ))
)
2.700 2.700 0.000 peak 8526 weight 0.10000E+01 volume 0.56530E+01 ppm1 1.464 ppm2 1.298
ASSI (
(( segid " " and resid 63 and name HD1 ))
)(
(( segid " " and resid 63 and name HG1 ))
)
5.000 5.000 0.000 peak 8528 weight 0.10000E+01 volume 0.14460E+01 ppm1 1.463 ppm2 1.155
ASSI (
(( segid " " and resid 63 and name HD1 ))
)(
(( segid " " and resid 63 and name HG2 ))
)
5.000 5.000 0.000 peak 8530 weight 0.10000E+01 volume 0.67900E+00 ppm1 1.464 ppm2 1.019
ASSI (
(( segid " " and resid 63 and name HD1 ))
)(
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)
5.000 5.000 0.000 peak 5638 weight 0.10000E+01 volume 0.12340E+01 ppm1 1.464 ppm2 0.498
ASSI (
(( segid " " and resid 63 and name HD2 ))
)(
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 8536 weight 0.10000E+01 volume 0.10440E+01 ppm1 1.286 ppm2 0.544
ASSI (
(( segid " " and resid 63 and name HD2 ))
)(
(( segid " " and resid 63 and name HA ))
)
6.000 6.000 0.000 peak 8523 weight 0.10000E+01 volume 0.26500E+00 ppm1 1.286 ppm2 4.159
ASSI (
(( segid " " and resid 63 and name HD2 ))
)(
(( segid " " and resid 63 and name HE1 ))
)
3.300 3.300 0.000 peak 8525 weight 0.10000E+01 volume 0.16180E+01 ppm1 1.286 ppm2 2.706
ASSI (
(( segid " " and resid 63 and name HD2 ))
)(
(( segid " " and resid 63 and name HG1 ))
)
3.300 3.300 0.000 peak 8529 weight 0.10000E+01 volume 0.16290E+01 ppm1 1.286 ppm2 1.155
ASSI (
(( segid " " and resid 63 and name HD2 ))
)(
(( segid " " and resid 63 and name HG2 ))
)
5.000 5.000 0.000 peak 8531 weight 0.10000E+01 volume 0.82800E+00 ppm1 1.286 ppm2 1.018
ASSI (
(( segid " " and resid 63 and name HD2 ))
)(
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)
5.000 5.000 0.000 peak 5640 weight 0.10000E+01 volume 0.95400E+00 ppm1 1.286 ppm2 0.508
ASSI (
(( segid " " and resid 63 and name HD2 ))
)(
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)
5.000 5.000 0.000 peak 8537 weight 0.10000E+01 volume 0.36400E+00 ppm1 1.286 ppm2 0.416
ASSI (
(( segid " " and resid 63 and name HE1 ))
)(
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 5590 weight 0.10000E+01 volume 0.11110E+01 ppm1 2.718 ppm2 0.542
ASSI (
(( segid " " and resid 63 and name HE1 ))
)(
(( segid " " and resid 63 and name HG1 ))
)
3.300 3.300 0.000 peak 5586 weight 0.10000E+01 volume 0.16610E+01 ppm1 2.719 ppm2 1.153
ASSI (
(( segid " " and resid 63 and name HE1 ))
)(
(( segid " " and resid 63 and name HG2 ))
)
5.000 5.000 0.000 peak 5588 weight 0.10000E+01 volume 0.12490E+01 ppm1 2.719 ppm2 1.016
ASSI (
(( segid " " and resid 63 and name HE2 ))
)(
(( segid " " and resid 38 and name HB ))
)
5.000 5.000 0.000 peak 5643 weight 0.10000E+01 volume 0.87100E+00 ppm1 2.662 ppm2 1.733
ASSI (
(( segid " " and resid 63 and name HE2 ))
)(
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 8540 weight 0.10000E+01 volume 0.13220E+01 ppm1 2.662 ppm2 0.543
ASSI (
(( segid " " and resid 63 and name HE2 ))
)(
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)
5.000 5.000 0.000 peak 8539 weight 0.10000E+01 volume 0.11520E+01 ppm1 2.662 ppm2 0.710
ASSI (
(( segid " " and resid 63 and name HE2 ))
)(
(( segid " " and resid 63 and name HD2 ))
)
3.300 3.300 0.000 peak 5585 weight 0.10000E+01 volume 0.21470E+01 ppm1 2.660 ppm2 1.284
ASSI (
(( segid " " and resid 63 and name HE2 ))
)(
(( segid " " and resid 63 and name HG1 ))
)
5.000 5.000 0.000 peak 5587 weight 0.10000E+01 volume 0.14950E+01 ppm1 2.662 ppm2 1.154
ASSI (
(( segid " " and resid 63 and name HE2 ))
)(
(( segid " " and resid 63 and name HG2 ))
)
5.000 5.000 0.000 peak 5589 weight 0.10000E+01 volume 0.11050E+01 ppm1 2.663 ppm2 1.018
ASSI (
(( segid " " and resid 63 and name HG1 ))
)(
(( segid " " and resid 63 and name HN ))
)
5.000 5.000 0.000 peak 8512 weight 0.10000E+01 volume 0.40100E+00 ppm1 1.149 ppm2 7.818
ASSI (
(( segid " " and resid 63 and name HG1 ))
)(
(( segid " " and resid 64 and name HN ))
)
5.000 5.000 0.000 peak 8515 weight 0.10000E+01 volume 0.44200E+00 ppm1 1.148 ppm2 7.734
ASSI (
(( segid " " and resid 63 and name HG2 ))
)(
(( segid " " and resid 64 and name HN ))
)
6.000 6.000 0.000 peak 8514 weight 0.10000E+01 volume 0.23000E+00 ppm1 1.010 ppm2 7.734
ASSI (
(( segid " " and resid 64 and name HA ))
)(
(( segid " " and resid 63 and name HB1 ))
)
5.000 5.000 0.000 peak 8543 weight 0.10000E+01 volume 0.42000E+00 ppm1 4.505 ppm2 1.435
ASSI (
(( segid " " and resid 64 and name HA ))
)(
(( segid " " and resid 64 and name HB1 ))
)
5.000 5.000 0.000 peak 8542 weight 0.10000E+01 volume 0.74500E+00 ppm1 4.505 ppm2 1.626
ASSI (
(( segid " " and resid 64 and name HA ))
)(
(( segid " " and resid 65 and name HN ))
)
5.000 5.000 0.000 peak 8541 weight 0.10000E+01 volume 0.14540E+01 ppm1 4.505 ppm2 8.537
ASSI (
(( segid " " and resid 64 and name HB1 ))
)(
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)
6.000 6.000 0.000 peak 8546 weight 0.10000E+01 volume 0.21800E+00 ppm1 1.601 ppm2 6.694
ASSI (
(( segid " " and resid 64 and name HB1 ))
)(
(( segid " " and resid 64 and name HD2 ))
OR
(( segid " " and resid 64 and name HD1 ))
)
5.000 5.000 0.000 peak 5383 weight 0.10000E+01 volume 0.12610E+01 ppm1 1.603 ppm2 3.110
ASSI (
(( segid " " and resid 64 and name HB1 ))
)(
(( segid " " and resid 64 and name HN ))
)
5.000 5.000 0.000 peak 6634 weight 0.10000E+01 volume 0.51200E+00 ppm1 1.605 ppm2 7.732
ASSI (
(( segid " " and resid 64 and name HB1 ))
)(
(( segid " " and resid 65 and name HN ))
)
5.000 5.000 0.000 peak 8544 weight 0.10000E+01 volume 0.60700E+00 ppm1 1.606 ppm2 8.554
ASSI (
(( segid " " and resid 64 and name HB1 ))
)(
(( segid " " and resid 83 and name HA ))
)
5.000 5.000 0.000 peak 8548 weight 0.10000E+01 volume 0.47800E+00 ppm1 1.607 ppm2 4.255
ASSI (
(( segid " " and resid 64 and name HB2 ))
)(
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)
6.000 6.000 0.000 peak 8547 weight 0.10000E+01 volume 0.16000E+00 ppm1 1.417 ppm2 6.694
ASSI (
(( segid " " and resid 64 and name HB2 ))
)(
(( segid " " and resid 64 and name HA ))
)
5.000 5.000 0.000 peak 5382 weight 0.10000E+01 volume 0.49600E+00 ppm1 1.417 ppm2 4.521
ASSI (
(( segid " " and resid 64 and name HB2 ))
)(
(( segid " " and resid 64 and name HD2 ))
OR
(( segid " " and resid 64 and name HD1 ))
)
5.000 5.000 0.000 peak 5381 weight 0.10000E+01 volume 0.10330E+01 ppm1 1.417 ppm2 3.111
ASSI (
(( segid " " and resid 64 and name HB2 ))
)(
(( segid " " and resid 65 and name HN ))
)
6.000 6.000 0.000 peak 8545 weight 0.10000E+01 volume 0.18300E+00 ppm1 1.419 ppm2 8.554
ASSI (
(( segid " " and resid 64 and name HD2 ))
OR
(( segid " " and resid 64 and name HD1 ))
)(
(( segid " " and resid 64 and name HA ))
)
5.000 5.000 0.000 peak 5651 weight 0.10000E+01 volume 0.42800E+00 ppm1 3.098 ppm2 4.533
ASSI (
(( segid " " and resid 64 and name HD2 ))
OR
(( segid " " and resid 64 and name HD1 ))
)(
(( segid " " and resid 64 and name HE ))
)
5.000 5.000 0.000 peak 8551 weight 0.10000E+01 volume 0.52700E+00 ppm1 3.096 ppm2 7.070
ASSI (
(( segid " " and resid 64 and name HD2 ))
OR
(( segid " " and resid 64 and name HD1 ))
)(
(( segid " " and resid 64 and name HN ))
)
6.000 6.000 0.000 peak 8550 weight 0.10000E+01 volume 0.25200E+00 ppm1 3.097 ppm2 7.726
ASSI (
(( segid " " and resid 65 and name HA ))
)(
(( segid " " and resid 65 and name HB1 ))
)
5.000 5.000 0.000 peak 8558 weight 0.10000E+01 volume 0.78500E+00 ppm1 4.101 ppm2 2.383
ASSI (
(( segid " " and resid 65 and name HA ))
)(
(( segid " " and resid 65 and name HB2 ))
)
5.000 5.000 0.000 peak 8559 weight 0.10000E+01 volume 0.54600E+00 ppm1 4.101 ppm2 2.307
ASSI (
(( segid " " and resid 65 and name HA ))
)(
(( segid " " and resid 65 and name HN ))
)
5.000 5.000 0.000 peak 8557 weight 0.10000E+01 volume 0.65100E+00 ppm1 4.100 ppm2 8.540
ASSI (
(( segid " " and resid 65 and name HA ))
)(
(( segid " " and resid 66 and name HN ))
)
2.700 2.700 0.000 peak 6652 weight 0.10000E+01 volume 0.30770E+01 ppm1 4.100 ppm2 8.355
ASSI (
(( segid " " and resid 65 and name HA ))
)(
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)
5.000 5.000 0.000 peak 5003 weight 0.10000E+01 volume 0.13360E+01 ppm1 4.101 ppm2 0.435
ASSI (
(( segid " " and resid 65 and name HB1 ))
)(
(( segid " " and resid 66 and name HN ))
)
5.000 5.000 0.000 peak 6648 weight 0.10000E+01 volume 0.90800E+00 ppm1 2.382 ppm2 8.354
ASSI (
(( segid " " and resid 65 and name HB1 ))
)(
(( segid " " and resid 115 and name HZ2 ))
)
5.000 5.000 0.000 peak 8561 weight 0.10000E+01 volume 0.52600E+00 ppm1 2.373 ppm2 7.165
ASSI (
(( segid " " and resid 65 and name HB2 ))
)(
(( segid " " and resid 65 and name HN ))
)
5.000 5.000 0.000 peak 6639 weight 0.10000E+01 volume 0.10600E+01 ppm1 2.306 ppm2 8.550
ASSI (
(( segid " " and resid 65 and name HB2 ))
)(
(( segid " " and resid 115 and name HE1 ))
)
5.000 5.000 0.000 peak 6716 weight 0.10000E+01 volume 0.70100E+00 ppm1 2.313 ppm2 10.500
ASSI (
(( segid " " and resid 65 and name HB2 ))
)(
(( segid " " and resid 115 and name HZ2 ))
)
5.000 5.000 0.000 peak 8563 weight 0.10000E+01 volume 0.52100E+00 ppm1 2.310 ppm2 7.163
ASSI (
(( segid " " and resid 66 and name HA ))
)(
(( segid " " and resid 66 and name HB1 ))
)
3.300 3.300 0.000 peak 5005 weight 0.10000E+01 volume 0.23250E+01 ppm1 4.255 ppm2 1.904
ASSI (
(( segid " " and resid 66 and name HA ))
)(
(( segid " " and resid 66 and name HB2 ))
)
2.700 2.700 0.000 peak 8570 weight 0.10000E+01 volume 0.30860E+01 ppm1 4.255 ppm2 1.764
ASSI (
(( segid " " and resid 66 and name HA ))
)(
(( segid " " and resid 66 and name HD2 ))
OR
(( segid " " and resid 66 and name HD1 ))
)
5.000 5.000 0.000 peak 8568 weight 0.10000E+01 volume 0.39400E+00 ppm1 4.255 ppm2 3.235
ASSI (
(( segid " " and resid 66 and name HA ))
)(
(( segid " " and resid 66 and name HN ))
)
5.000 5.000 0.000 peak 8567 weight 0.10000E+01 volume 0.99900E+00 ppm1 4.254 ppm2 8.354
ASSI (
(( segid " " and resid 66 and name HA ))
)(
(( segid " " and resid 67 and name HB1 ))
)
6.000 6.000 0.000 peak 8569 weight 0.10000E+01 volume 0.11200E+00 ppm1 4.254 ppm2 3.129
ASSI (
(( segid " " and resid 66 and name HA ))
)(
(( segid " " and resid 67 and name HB2 ))
)
6.000 6.000 0.000 peak 5004 weight 0.10000E+01 volume 0.28400E+00 ppm1 4.254 ppm2 2.986
ASSI (
(( segid " " and resid 66 and name HA ))
)(
(( segid " " and resid 67 and name HN ))
)
2.700 2.700 0.000 peak 6056 weight 0.10000E+01 volume 0.34130E+01 ppm1 4.254 ppm2 8.940
ASSI (
(( segid " " and resid 66 and name HA ))
)(
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)
5.000 5.000 0.000 peak 5020 weight 0.10000E+01 volume 0.54400E+00 ppm1 4.253 ppm2 0.967
ASSI (
(( segid " " and resid 66 and name HB1 ))
)(
(( segid " " and resid 65 and name HA ))
)
5.000 5.000 0.000 peak 8577 weight 0.10000E+01 volume 0.54900E+00 ppm1 1.884 ppm2 4.112
ASSI (
(( segid " " and resid 66 and name HB1 ))
)(
(( segid " " and resid 66 and name HD2 ))
OR
(( segid " " and resid 66 and name HD1 ))
)
5.000 5.000 0.000 peak 8578 weight 0.10000E+01 volume 0.10780E+01 ppm1 1.884 ppm2 3.237
ASSI (
(( segid " " and resid 66 and name HB1 ))
)(
(( segid " " and resid 66 and name HN ))
)
3.300 3.300 0.000 peak 8574 weight 0.10000E+01 volume 0.24980E+01 ppm1 1.882 ppm2 8.355
ASSI (
(( segid " " and resid 66 and name HB1 ))
)(
(( segid " " and resid 67 and name HN ))
)
5.000 5.000 0.000 peak 6051 weight 0.10000E+01 volume 0.80200E+00 ppm1 1.882 ppm2 8.936
ASSI (
(( segid " " and resid 66 and name HB2 ))
)(
(( segid " " and resid 67 and name HN ))
)
5.000 5.000 0.000 peak 6050 weight 0.10000E+01 volume 0.62100E+00 ppm1 1.775 ppm2 8.937
ASSI (
(( segid " " and resid 66 and name HD2 ))
OR
(( segid " " and resid 66 and name HD1 ))
)(
(( segid " " and resid 66 and name HB2 ))
)
2.700 2.700 0.000 peak 8584 weight 0.10000E+01 volume 0.49690E+01 ppm1 3.235 ppm2 1.761
ASSI (
(( segid " " and resid 66 and name HD2 ))
OR
(( segid " " and resid 66 and name HD1 ))
)(
(( segid " " and resid 66 and name HN ))
)
6.000 6.000 0.000 peak 8581 weight 0.10000E+01 volume 0.15800E+00 ppm1 3.234 ppm2 8.340
ASSI (
(( segid " " and resid 66 and name HD2 ))
OR
(( segid " " and resid 66 and name HD1 ))
)(
(( segid " " and resid 67 and name HA ))
)
5.000 5.000 0.000 peak 8583 weight 0.10000E+01 volume 0.39300E+00 ppm1 3.236 ppm2 4.276
ASSI (
(( segid " " and resid 66 and name HD2 ))
OR
(( segid " " and resid 66 and name HD1 ))
)(
(( segid " " and resid 67 and name HD2 ))
)
6.000 6.000 0.000 peak 8582 weight 0.10000E+01 volume 0.16900E+00 ppm1 3.235 ppm2 7.175
ASSI (
(( segid " " and resid 66 and name HD2 ))
OR
(( segid " " and resid 66 and name HD1 ))
)(
(( segid " " and resid 67 and name HN ))
)
6.000 6.000 0.000 peak 8580 weight 0.10000E+01 volume 0.11700E+00 ppm1 3.235 ppm2 8.941
ASSI (
(( segid " " and resid 67 and name HA ))
)(
(( segid " " and resid 67 and name HB1 ))
)
5.000 5.000 0.000 peak 8594 weight 0.10000E+01 volume 0.12770E+01 ppm1 4.262 ppm2 3.130
ASSI (
(( segid " " and resid 67 and name HA ))
)(
(( segid " " and resid 67 and name HB2 ))
)
5.000 5.000 0.000 peak 8595 weight 0.10000E+01 volume 0.78700E+00 ppm1 4.264 ppm2 2.985
ASSI (
(( segid " " and resid 67 and name HA ))
)(
(( segid " " and resid 67 and name HD2 ))
)
5.000 5.000 0.000 peak 8592 weight 0.10000E+01 volume 0.37700E+00 ppm1 4.262 ppm2 7.184
ASSI (
(( segid " " and resid 67 and name HA ))
)(
(( segid " " and resid 67 and name HN ))
)
5.000 5.000 0.000 peak 8591 weight 0.10000E+01 volume 0.71100E+00 ppm1 4.262 ppm2 8.940
ASSI (
(( segid " " and resid 67 and name HA ))
)(
(( segid " " and resid 68 and name HD1 ))
)
3.300 3.300 0.000 peak 5031 weight 0.10000E+01 volume 0.17290E+01 ppm1 4.262 ppm2 3.200
ASSI (
(( segid " " and resid 67 and name HA ))
)(
(( segid " " and resid 68 and name HD2 ))
)
3.300 3.300 0.000 peak 5032 weight 0.10000E+01 volume 0.18010E+01 ppm1 4.264 ppm2 2.477
ASSI (
(( segid " " and resid 67 and name HA ))
)(
(( segid " " and resid 69 and name HN ))
)
6.000 6.000 0.000 peak 8590 weight 0.10000E+01 volume 0.18500E+00 ppm1 4.259 ppm2 9.609
ASSI (
(( segid " " and resid 67 and name HA ))
)(
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)
3.300 3.300 0.000 peak 5033 weight 0.10000E+01 volume 0.16300E+01 ppm1 4.263 ppm2 0.985
ASSI (
(( segid " " and resid 67 and name HA ))
)(
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)
5.000 5.000 0.000 peak 8596 weight 0.10000E+01 volume 0.75600E+00 ppm1 4.264 ppm2 0.876
ASSI (
(( segid " " and resid 67 and name HA ))
)(
(( segid " " and resid 115 and name HE1 ))
)
6.000 6.000 0.000 peak 8588 weight 0.10000E+01 volume 0.21600E+00 ppm1 4.258 ppm2 10.497
ASSI (
(( segid " " and resid 67 and name HA ))
)(
(( segid " " and resid 115 and name HZ2 ))
)
5.000 5.000 0.000 peak 9501 weight 0.10000E+01 volume 0.39200E+00 ppm1 4.261 ppm2 7.163
ASSI (
(( segid " " and resid 67 and name HB1 ))
)(
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)
5.000 5.000 0.000 peak 5319 weight 0.10000E+01 volume 0.53700E+00 ppm1 3.117 ppm2 0.979
ASSI (
(( segid " " and resid 67 and name HB2 ))
)(
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)
5.000 5.000 0.000 peak 5021 weight 0.10000E+01 volume 0.46200E+00 ppm1 2.974 ppm2 0.974
ASSI (
(( segid " " and resid 67 and name HD2 ))
)(
(( segid " " and resid 67 and name HB1 ))
)
5.000 5.000 0.000 peak 8949 weight 0.10000E+01 volume 0.30500E+00 ppm1 7.172 ppm2 3.127
ASSI (
(( segid " " and resid 67 and name HD2 ))
)(
(( segid " " and resid 67 and name HB2 ))
)
6.000 6.000 0.000 peak 8950 weight 0.10000E+01 volume 0.85000E-01 ppm1 7.171 ppm2 2.985
ASSI (
(( segid " " and resid 67 and name HD2 ))
)(
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)
5.000 5.000 0.000 peak 8946 weight 0.10000E+01 volume 0.41000E+00 ppm1 7.171 ppm2 0.968
ASSI (
(( segid " " and resid 68 and name HA ))
)(
(( segid " " and resid 68 and name HB1 ))
)
3.300 3.300 0.000 peak 8607 weight 0.10000E+01 volume 0.20430E+01 ppm1 4.309 ppm2 1.673
ASSI (
(( segid " " and resid 68 and name HA ))
)(
(( segid " " and resid 68 and name HB2 ))
)
2.700 2.700 0.000 peak 8609 weight 0.10000E+01 volume 0.39270E+01 ppm1 4.309 ppm2 1.317
ASSI (
(( segid " " and resid 68 and name HA ))
)(
(( segid " " and resid 68 and name HD1 ))
)
5.000 5.000 0.000 peak 5034 weight 0.10000E+01 volume 0.32700E+00 ppm1 4.308 ppm2 3.219
ASSI (
(( segid " " and resid 68 and name HA ))
)(
(( segid " " and resid 68 and name HG1 ))
)
5.000 5.000 0.000 peak 8608 weight 0.10000E+01 volume 0.90800E+00 ppm1 4.310 ppm2 1.509
ASSI (
(( segid " " and resid 68 and name HA ))
)(
(( segid " " and resid 69 and name HN ))
)
5.000 5.000 0.000 peak 8604 weight 0.10000E+01 volume 0.13140E+01 ppm1 4.308 ppm2 9.626
ASSI (
(( segid " " and resid 68 and name HA ))
)(
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)
6.000 6.000 0.000 peak 8611 weight 0.10000E+01 volume 0.14700E+00 ppm1 4.309 ppm2 -0.625
ASSI (
(( segid " " and resid 68 and name HA ))
)(
(( segid " " and resid 115 and name HD1 ))
)
5.000 5.000 0.000 peak 8605 weight 0.10000E+01 volume 0.31600E+00 ppm1 4.308 ppm2 7.277
ASSI (
(( segid " " and resid 68 and name HA ))
)(
(( segid " " and resid 115 and name HE1 ))
)
5.000 5.000 0.000 peak 6684 weight 0.10000E+01 volume 0.56200E+00 ppm1 4.311 ppm2 10.509
ASSI (
(( segid " " and resid 68 and name HB1 ))
)(
(( segid " " and resid 68 and name HB2 ))
)
2.700 2.700 0.000 peak 8623 weight 0.10000E+01 volume 0.30060E+01 ppm1 1.654 ppm2 1.317
ASSI (
(( segid " " and resid 68 and name HB1 ))
)(
(( segid " " and resid 68 and name HD1 ))
)
5.000 5.000 0.000 peak 8619 weight 0.10000E+01 volume 0.91000E+00 ppm1 1.658 ppm2 3.220
ASSI (
(( segid " " and resid 68 and name HB1 ))
)(
(( segid " " and resid 68 and name HD2 ))
)
5.000 5.000 0.000 peak 8620 weight 0.10000E+01 volume 0.35800E+00 ppm1 1.657 ppm2 2.469
ASSI (
(( segid " " and resid 68 and name HB2 ))
)(
(( segid " " and resid 68 and name HD1 ))
)
5.000 5.000 0.000 peak 8618 weight 0.10000E+01 volume 0.65100E+00 ppm1 1.316 ppm2 3.223
ASSI (
(( segid " " and resid 68 and name HB2 ))
)(
(( segid " " and resid 68 and name HD2 ))
)
6.000 6.000 0.000 peak 8621 weight 0.10000E+01 volume 0.23100E+00 ppm1 1.315 ppm2 2.470
ASSI (
(( segid " " and resid 68 and name HB2 ))
)(
(( segid " " and resid 115 and name HE1 ))
)
6.000 6.000 0.000 peak 8614 weight 0.10000E+01 volume 0.21000E+00 ppm1 1.316 ppm2 10.499
ASSI (
(( segid " " and resid 68 and name HD1 ))
)(
(( segid " " and resid 67 and name HD2 ))
)
6.000 6.000 0.000 peak 8632 weight 0.10000E+01 volume 0.24200E+00 ppm1 3.204 ppm2 7.166
ASSI (
(( segid " " and resid 68 and name HD1 ))
)(
(( segid " " and resid 68 and name HD2 ))
)
3.300 3.300 0.000 peak 7909 weight 0.10000E+01 volume 0.19910E+01 ppm1 3.206 ppm2 2.472
ASSI (
(( segid " " and resid 68 and name HD1 ))
)(
(( segid " " and resid 68 and name HG2 ))
)
5.000 5.000 0.000 peak 7713 weight 0.10000E+01 volume 0.87000E+00 ppm1 3.204 ppm2 1.030
ASSI (
(( segid " " and resid 68 and name HD1 ))
)(
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)
6.000 6.000 0.000 peak 8643 weight 0.10000E+01 volume 0.28600E+00 ppm1 3.204 ppm2 0.498
ASSI (
(( segid " " and resid 68 and name HD1 ))
)(
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)
5.000 5.000 0.000 peak 8641 weight 0.10000E+01 volume 0.42700E+00 ppm1 3.204 ppm2 0.888
ASSI (
(( segid " " and resid 68 and name HD2 ))
)(
(( segid " " and resid 67 and name HD2 ))
)
6.000 6.000 0.000 peak 5602 weight 0.10000E+01 volume 0.15600E+00 ppm1 2.461 ppm2 7.167
ASSI (
(( segid " " and resid 68 and name HD2 ))
)(
(( segid " " and resid 68 and name HG2 ))
)
5.000 5.000 0.000 peak 7712 weight 0.10000E+01 volume 0.86600E+00 ppm1 2.457 ppm2 1.029
ASSI (
(( segid " " and resid 68 and name HD2 ))
)(
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)
5.000 5.000 0.000 peak 8645 weight 0.10000E+01 volume 0.30900E+00 ppm1 2.458 ppm2 0.497
ASSI (
(( segid " " and resid 68 and name HD2 ))
)(
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)
5.000 5.000 0.000 peak 8642 weight 0.10000E+01 volume 0.33500E+00 ppm1 2.459 ppm2 0.891
ASSI (
(( segid " " and resid 68 and name HG1 ))
)(
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)
5.000 5.000 0.000 peak 5653 weight 0.10000E+01 volume 0.54500E+00 ppm1 1.499 ppm2 -0.610
ASSI (
(( segid " " and resid 68 and name HG2 ))
)(
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)
5.000 5.000 0.000 peak 8631 weight 0.10000E+01 volume 0.34800E+00 ppm1 1.033 ppm2 -0.609
ASSI (
(( segid " " and resid 69 and name HA1 ))
)(
(( segid " " and resid 69 and name HA2 ))
)
2.700 2.700 0.000 peak 8648 weight 0.10000E+01 volume 0.64220E+01 ppm1 4.228 ppm2 3.735
ASSI (
(( segid " " and resid 70 and name HA ))
)(
(( segid " " and resid 70 and name HB1 ))
)
3.300 3.300 0.000 peak 8653 weight 0.10000E+01 volume 0.24920E+01 ppm1 4.119 ppm2 1.802
ASSI (
(( segid " " and resid 70 and name HA ))
)(
(( segid " " and resid 70 and name HG1 ))
)
5.000 5.000 0.000 peak 8651 weight 0.10000E+01 volume 0.37800E+00 ppm1 4.119 ppm2 2.176
ASSI (
(( segid " " and resid 70 and name HA ))
)(
(( segid " " and resid 70 and name HG2 ))
)
5.000 5.000 0.000 peak 8652 weight 0.10000E+01 volume 0.40800E+00 ppm1 4.119 ppm2 2.046
ASSI (
(( segid " " and resid 70 and name HA ))
)(
(( segid " " and resid 70 and name HN ))
)
2.700 2.700 0.000 peak 8650 weight 0.10000E+01 volume 0.34000E+01 ppm1 4.119 ppm2 7.726
ASSI (
(( segid " " and resid 70 and name HA ))
)(
(( segid " " and resid 71 and name HN ))
)
2.700 2.700 0.000 peak 6086 weight 0.10000E+01 volume 0.37060E+01 ppm1 4.119 ppm2 8.281
ASSI (
(( segid " " and resid 70 and name HG1 ))
)(
(( segid " " and resid 70 and name HN ))
)
5.000 5.000 0.000 peak 8663 weight 0.10000E+01 volume 0.57700E+00 ppm1 2.156 ppm2 7.732
ASSI (
(( segid " " and resid 70 and name HG1 ))
)(
(( segid " " and resid 71 and name HN ))
)
5.000 5.000 0.000 peak 8661 weight 0.10000E+01 volume 0.58400E+00 ppm1 2.156 ppm2 8.287
ASSI (
(( segid " " and resid 70 and name HG2 ))
)(
(( segid " " and resid 71 and name HN ))
)
5.000 5.000 0.000 peak 8662 weight 0.10000E+01 volume 0.46700E+00 ppm1 2.041 ppm2 8.287
ASSI (
(( segid " " and resid 71 and name HA ))
)(
(( segid " " and resid 71 and name HB1 ))
)
3.300 3.300 0.000 peak 8667 weight 0.10000E+01 volume 0.16580E+01 ppm1 4.300 ppm2 1.534
ASSI (
(( segid " " and resid 71 and name HA ))
)(
(( segid " " and resid 71 and name HB2 ))
)
5.000 5.000 0.000 peak 8670 weight 0.10000E+01 volume 0.93100E+00 ppm1 4.303 ppm2 0.757
ASSI (
(( segid " " and resid 71 and name HA ))
)(
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)
5.000 5.000 0.000 peak 8671 weight 0.10000E+01 volume 0.11430E+01 ppm1 4.303 ppm2 0.590
ASSI (
(( segid " " and resid 71 and name HA ))
)(
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)
3.300 3.300 0.000 peak 8672 weight 0.10000E+01 volume 0.28000E+01 ppm1 4.303 ppm2 0.486
ASSI (
(( segid " " and resid 71 and name HA ))
)(
(( segid " " and resid 71 and name HG ))
)
5.000 5.000 0.000 peak 8669 weight 0.10000E+01 volume 0.11140E+01 ppm1 4.302 ppm2 1.012
ASSI (
(( segid " " and resid 71 and name HA ))
)(
(( segid " " and resid 72 and name HA ))
)
5.000 5.000 0.000 peak 5038 weight 0.10000E+01 volume 0.49700E+00 ppm1 4.300 ppm2 3.830
ASSI (
(( segid " " and resid 71 and name HA ))
)(
(( segid " " and resid 72 and name HB1 ))
)
5.000 5.000 0.000 peak 8668 weight 0.10000E+01 volume 0.12290E+01 ppm1 4.302 ppm2 1.621
ASSI (
(( segid " " and resid 71 and name HA ))
)(
(( segid " " and resid 72 and name HN ))
)
2.700 2.700 0.000 peak 6096 weight 0.10000E+01 volume 0.38350E+01 ppm1 4.300 ppm2 8.518
ASSI (
(( segid " " and resid 71 and name HB1 ))
)(
(( segid " " and resid 71 and name HB2 ))
)
3.300 3.300 0.000 peak 5395 weight 0.10000E+01 volume 0.24190E+01 ppm1 1.537 ppm2 0.760
ASSI (
(( segid " " and resid 71 and name HB1 ))
)(
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)
5.000 5.000 0.000 peak 8679 weight 0.10000E+01 volume 0.14980E+01 ppm1 1.537 ppm2 0.498
ASSI (
(( segid " " and resid 71 and name HB1 ))
)(
(( segid " " and resid 71 and name HG ))
)
3.300 3.300 0.000 peak 5393 weight 0.10000E+01 volume 0.20380E+01 ppm1 1.538 ppm2 1.000
ASSI (
(( segid " " and resid 71 and name HB1 ))
)(
(( segid " " and resid 72 and name HN ))
)
6.000 6.000 0.000 peak 8673 weight 0.10000E+01 volume 0.25700E+00 ppm1 1.534 ppm2 8.524
ASSI (
(( segid " " and resid 71 and name HB2 ))
)(
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)
5.000 5.000 0.000 peak 5396 weight 0.10000E+01 volume 0.13650E+01 ppm1 0.746 ppm2 0.594
ASSI (
(( segid " " and resid 71 and name HB2 ))
)(
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)
5.000 5.000 0.000 peak 8678 weight 0.10000E+01 volume 0.12570E+01 ppm1 0.745 ppm2 0.498
ASSI (
(( segid " " and resid 71 and name HB2 ))
)(
(( segid " " and resid 71 and name HG ))
)
5.000 5.000 0.000 peak 5394 weight 0.10000E+01 volume 0.14600E+01 ppm1 0.746 ppm2 0.999
ASSI (
(( segid " " and resid 71 and name HB2 ))
)(
(( segid " " and resid 71 and name HN ))
)
5.000 5.000 0.000 peak 6079 weight 0.10000E+01 volume 0.57100E+00 ppm1 0.743 ppm2 8.288
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 71 and name HB1 ))
)
2.700 2.700 0.000 peak 5658 weight 0.10000E+01 volume 0.33730E+01 ppm1 0.588 ppm2 1.542
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 71 and name HG ))
)
2.700 2.700 0.000 peak 8702 weight 0.10000E+01 volume 0.52190E+01 ppm1 0.589 ppm2 1.017
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 71 and name HN ))
)
5.000 5.000 0.000 peak 8688 weight 0.10000E+01 volume 0.12790E+01 ppm1 0.588 ppm2 8.286
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 72 and name HN ))
)
6.000 6.000 0.000 peak 8685 weight 0.10000E+01 volume 0.21800E+00 ppm1 0.588 ppm2 8.524
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 74 and name HA1 ))
)
3.300 3.300 0.000 peak 8693 weight 0.10000E+01 volume 0.20320E+01 ppm1 0.588 ppm2 4.323
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 74 and name HA2 ))
)
5.000 5.000 0.000 peak 5043 weight 0.10000E+01 volume 0.79100E+00 ppm1 0.589 ppm2 4.114
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 90 and name HA ))
)
5.000 5.000 0.000 peak 5076 weight 0.10000E+01 volume 0.61600E+00 ppm1 0.588 ppm2 5.401
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 90 and name HB1 ))
)
3.300 3.300 0.000 peak 5661 weight 0.10000E+01 volume 0.17580E+01 ppm1 0.589 ppm2 2.777
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 90 and name HB2 ))
)
3.300 3.300 0.000 peak 5660 weight 0.10000E+01 volume 0.16170E+01 ppm1 0.586 ppm2 2.537
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
3.300 3.300 0.000 peak 8689 weight 0.10000E+01 volume 0.16970E+01 ppm1 0.588 ppm2 7.023
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 91 and name HN ))
)
5.000 5.000 0.000 peak 6948 weight 0.10000E+01 volume 0.11280E+01 ppm1 0.588 ppm2 8.264
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 92 and name HA ))
)
5.000 5.000 0.000 peak 5663 weight 0.10000E+01 volume 0.44300E+00 ppm1 0.588 ppm2 5.266
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 93 and name HN ))
)
5.000 5.000 0.000 peak 6986 weight 0.10000E+01 volume 0.34300E+00 ppm1 0.587 ppm2 8.887
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 119 and name HA ))
)
6.000 6.000 0.000 peak 8695 weight 0.10000E+01 volume 0.25900E+00 ppm1 0.589 ppm2 3.363
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 120 and name HD1 ))
)
5.000 5.000 0.000 peak 8699 weight 0.10000E+01 volume 0.44700E+00 ppm1 0.589 ppm2 2.192
ASSI (
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)(
(( segid " " and resid 120 and name HD2 ))
)
5.000 5.000 0.000 peak 5659 weight 0.10000E+01 volume 0.98400E+00 ppm1 0.588 ppm2 2.044
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 71 and name HG ))
)
3.300 3.300 0.000 peak 8717 weight 0.10000E+01 volume 0.28110E+01 ppm1 0.476 ppm2 1.014
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 71 and name HN ))
)
5.000 5.000 0.000 peak 8705 weight 0.10000E+01 volume 0.45400E+00 ppm1 0.478 ppm2 8.286
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 72 and name HA ))
)
6.000 6.000 0.000 peak 8711 weight 0.10000E+01 volume 0.11200E+00 ppm1 0.476 ppm2 3.826
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 72 and name HN ))
)
5.000 5.000 0.000 peak 6089 weight 0.10000E+01 volume 0.12100E+01 ppm1 0.476 ppm2 8.520
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
6.000 6.000 0.000 peak 8707 weight 0.10000E+01 volume 0.28900E+00 ppm1 0.477 ppm2 7.030
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 119 and name HB2 ))
)
5.000 5.000 0.000 peak 5668 weight 0.10000E+01 volume 0.11190E+01 ppm1 0.475 ppm2 1.233
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 120 and name HD1 ))
)
5.000 5.000 0.000 peak 5671 weight 0.10000E+01 volume 0.81600E+00 ppm1 0.475 ppm2 2.187
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 120 and name HD2 ))
)
5.000 5.000 0.000 peak 5669 weight 0.10000E+01 volume 0.11370E+01 ppm1 0.476 ppm2 2.046
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 121 and name HN ))
)
6.000 6.000 0.000 peak 8706 weight 0.10000E+01 volume 0.26200E+00 ppm1 0.477 ppm2 7.961
ASSI (
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)(
(( segid " " and resid 122 and name HN ))
)
5.000 5.000 0.000 peak 8704 weight 0.10000E+01 volume 0.12900E+01 ppm1 0.477 ppm2 8.763
ASSI (
(( segid " " and resid 71 and name HG ))
)(
(( segid " " and resid 70 and name HA ))
)
6.000 6.000 0.000 peak 8654 weight 0.10000E+01 volume 0.28300E+00 ppm1 1.004 ppm2 4.118
ASSI (
(( segid " " and resid 71 and name HG ))
)(
(( segid " " and resid 74 and name HN ))
)
6.000 6.000 0.000 peak 8681 weight 0.10000E+01 volume 0.96000E-01 ppm1 1.003 ppm2 7.635
ASSI (
(( segid " " and resid 71 and name HG ))
)(
(( segid " " and resid 75 and name HN ))
)
6.000 6.000 0.000 peak 8680 weight 0.10000E+01 volume 0.19000E+00 ppm1 1.006 ppm2 8.808
ASSI (
(( segid " " and resid 72 and name HA ))
)(
(( segid " " and resid 72 and name HB1 ))
)
3.300 3.300 0.000 peak 8725 weight 0.10000E+01 volume 0.26040E+01 ppm1 3.817 ppm2 1.627
ASSI (
(( segid " " and resid 72 and name HA ))
)(
(( segid " " and resid 72 and name HD2 ))
OR
(( segid " " and resid 72 and name HD1 ))
)
6.000 6.000 0.000 peak 8721 weight 0.10000E+01 volume 0.27800E+00 ppm1 3.817 ppm2 3.123
ASSI (
(( segid " " and resid 72 and name HA ))
)(
(( segid " " and resid 72 and name HG1 ))
)
3.300 3.300 0.000 peak 8724 weight 0.10000E+01 volume 0.28310E+01 ppm1 3.817 ppm2 1.534
ASSI (
(( segid " " and resid 72 and name HA ))
)(
(( segid " " and resid 72 and name HN ))
)
5.000 5.000 0.000 peak 8719 weight 0.10000E+01 volume 0.82500E+00 ppm1 3.818 ppm2 8.520
ASSI (
(( segid " " and resid 72 and name HA ))
)(
(( segid " " and resid 74 and name HN ))
)
5.000 5.000 0.000 peak 6532 weight 0.10000E+01 volume 0.42800E+00 ppm1 3.817 ppm2 7.633
ASSI (
(( segid " " and resid 72 and name HB1 ))
)(
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)
5.000 5.000 0.000 peak 8733 weight 0.10000E+01 volume 0.33100E+00 ppm1 1.618 ppm2 0.498
ASSI (
(( segid " " and resid 72 and name HB1 ))
)(
(( segid " " and resid 72 and name HN ))
)
2.700 2.700 0.000 peak 8728 weight 0.10000E+01 volume 0.40590E+01 ppm1 1.617 ppm2 8.522
ASSI (
(( segid " " and resid 72 and name HB1 ))
)(
(( segid " " and resid 73 and name HN ))
)
5.000 5.000 0.000 peak 8726 weight 0.10000E+01 volume 0.57200E+00 ppm1 1.618 ppm2 8.875
ASSI (
(( segid " " and resid 72 and name HB2 ))
)(
(( segid " " and resid 71 and name HA ))
)
5.000 5.000 0.000 peak 8730 weight 0.10000E+01 volume 0.10300E+01 ppm1 1.543 ppm2 4.320
ASSI (
(( segid " " and resid 72 and name HB2 ))
)(
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)
5.000 5.000 0.000 peak 8734 weight 0.10000E+01 volume 0.80200E+00 ppm1 1.542 ppm2 0.497
ASSI (
(( segid " " and resid 72 and name HB2 ))
)(
(( segid " " and resid 72 and name HA ))
)
3.300 3.300 0.000 peak 8732 weight 0.10000E+01 volume 0.24000E+01 ppm1 1.541 ppm2 3.830
ASSI (
(( segid " " and resid 72 and name HB2 ))
)(
(( segid " " and resid 72 and name HN ))
)
2.700 2.700 0.000 peak 6093 weight 0.10000E+01 volume 0.33100E+01 ppm1 1.542 ppm2 8.518
ASSI (
(( segid " " and resid 72 and name HB2 ))
)(
(( segid " " and resid 73 and name HN ))
)
5.000 5.000 0.000 peak 8727 weight 0.10000E+01 volume 0.55300E+00 ppm1 1.541 ppm2 8.874
ASSI (
(( segid " " and resid 72 and name HD2 ))
OR
(( segid " " and resid 72 and name HD1 ))
)(
(( segid " " and resid 72 and name HN ))
)
5.000 5.000 0.000 peak 6753 weight 0.10000E+01 volume 0.38100E+00 ppm1 3.104 ppm2 8.524
ASSI (
(( segid " " and resid 72 and name HD2 ))
OR
(( segid " " and resid 72 and name HD1 ))
)(
(( segid " " and resid 73 and name HN ))
)
5.000 5.000 0.000 peak 6758 weight 0.10000E+01 volume 0.33000E+00 ppm1 3.102 ppm2 8.868
ASSI (
(( segid " " and resid 72 and name HG1 ))
)(
(( segid " " and resid 72 and name HN ))
)
5.000 5.000 0.000 peak 8735 weight 0.10000E+01 volume 0.14100E+01 ppm1 1.538 ppm2 8.516
ASSI (
(( segid " " and resid 72 and name HG1 ))
)(
(( segid " " and resid 73 and name HD21))
)
5.000 5.000 0.000 peak 8739 weight 0.10000E+01 volume 0.12740E+01 ppm1 1.538 ppm2 7.307
ASSI (
(( segid " " and resid 72 and name HG1 ))
)(
(( segid " " and resid 73 and name HD22))
)
5.000 5.000 0.000 peak 8742 weight 0.10000E+01 volume 0.90200E+00 ppm1 1.536 ppm2 6.743
ASSI (
(( segid " " and resid 72 and name HG1 ))
)(
(( segid " " and resid 73 and name HN ))
)
5.000 5.000 0.000 peak 8737 weight 0.10000E+01 volume 0.93000E+00 ppm1 1.538 ppm2 8.866
ASSI (
(( segid " " and resid 72 and name HG2 ))
)(
(( segid " " and resid 72 and name HA ))
)
3.300 3.300 0.000 peak 5677 weight 0.10000E+01 volume 0.16270E+01 ppm1 1.479 ppm2 3.824
ASSI (
(( segid " " and resid 72 and name HG2 ))
)(
(( segid " " and resid 73 and name HD21))
)
5.000 5.000 0.000 peak 8741 weight 0.10000E+01 volume 0.13350E+01 ppm1 1.476 ppm2 7.308
ASSI (
(( segid " " and resid 72 and name HG2 ))
)(
(( segid " " and resid 73 and name HD22))
)
5.000 5.000 0.000 peak 8743 weight 0.10000E+01 volume 0.11610E+01 ppm1 1.481 ppm2 6.741
ASSI (
(( segid " " and resid 72 and name HG2 ))
)(
(( segid " " and resid 73 and name HN ))
)
5.000 5.000 0.000 peak 8738 weight 0.10000E+01 volume 0.91900E+00 ppm1 1.477 ppm2 8.866
ASSI (
(( segid " " and resid 73 and name HA ))
)(
(( segid " " and resid 73 and name HB1 ))
)
5.000 5.000 0.000 peak 8748 weight 0.10000E+01 volume 0.85900E+00 ppm1 3.781 ppm2 2.139
ASSI (
(( segid " " and resid 73 and name HA ))
)(
(( segid " " and resid 73 and name HB2 ))
)
5.000 5.000 0.000 peak 8749 weight 0.10000E+01 volume 0.12000E+01 ppm1 3.781 ppm2 0.975
ASSI (
(( segid " " and resid 73 and name HA ))
)(
(( segid " " and resid 73 and name HD22))
)
6.000 6.000 0.000 peak 8746 weight 0.10000E+01 volume 0.18300E+00 ppm1 3.782 ppm2 6.744
ASSI (
(( segid " " and resid 73 and name HA ))
)(
(( segid " " and resid 73 and name HN ))
)
3.300 3.300 0.000 peak 6997 weight 0.10000E+01 volume 0.29360E+01 ppm1 3.782 ppm2 8.879
ASSI (
(( segid " " and resid 73 and name HB1 ))
)(
(( segid " " and resid 73 and name HB2 ))
)
3.300 3.300 0.000 peak 8761 weight 0.10000E+01 volume 0.29890E+01 ppm1 2.121 ppm2 0.972
ASSI (
(( segid " " and resid 73 and name HB1 ))
)(
(( segid " " and resid 73 and name HD21))
)
5.000 5.000 0.000 peak 8752 weight 0.10000E+01 volume 0.65900E+00 ppm1 2.121 ppm2 7.308
ASSI (
(( segid " " and resid 73 and name HB1 ))
)(
(( segid " " and resid 73 and name HD22))
)
5.000 5.000 0.000 peak 8756 weight 0.10000E+01 volume 0.62000E+00 ppm1 2.122 ppm2 6.742
ASSI (
(( segid " " and resid 73 and name HB1 ))
)(
(( segid " " and resid 73 and name HN ))
)
6.000 6.000 0.000 peak 8750 weight 0.10000E+01 volume 0.29400E+00 ppm1 2.120 ppm2 8.866
ASSI (
(( segid " " and resid 73 and name HB1 ))
)(
(( segid " " and resid 122 and name HB1 ))
)
5.000 5.000 0.000 peak 5157 weight 0.10000E+01 volume 0.43400E+00 ppm1 2.121 ppm2 2.761
ASSI (
(( segid " " and resid 73 and name HB2 ))
)(
(( segid " " and resid 73 and name HD21))
)
5.000 5.000 0.000 peak 8753 weight 0.10000E+01 volume 0.51100E+00 ppm1 0.960 ppm2 7.308
ASSI (
(( segid " " and resid 73 and name HB2 ))
)(
(( segid " " and resid 73 and name HD22))
)
5.000 5.000 0.000 peak 8757 weight 0.10000E+01 volume 0.50800E+00 ppm1 0.960 ppm2 6.742
ASSI (
(( segid " " and resid 73 and name HB2 ))
)(
(( segid " " and resid 73 and name HN ))
)
5.000 5.000 0.000 peak 8751 weight 0.10000E+01 volume 0.33100E+00 ppm1 0.963 ppm2 8.869
ASSI (
(( segid " " and resid 73 and name HB2 ))
)(
(( segid " " and resid 122 and name HB1 ))
)
5.000 5.000 0.000 peak 5398 weight 0.10000E+01 volume 0.51400E+00 ppm1 0.958 ppm2 2.765
ASSI (
(( segid " " and resid 74 and name HA1 ))
)(
(( segid " " and resid 71 and name HG ))
)
5.000 5.000 0.000 peak 5040 weight 0.10000E+01 volume 0.39400E+00 ppm1 4.325 ppm2 1.014
ASSI (
(( segid " " and resid 74 and name HA1 ))
)(
(( segid " " and resid 73 and name HN ))
)
5.000 5.000 0.000 peak 7001 weight 0.10000E+01 volume 0.10580E+01 ppm1 4.322 ppm2 8.884
ASSI (
(( segid " " and resid 74 and name HA1 ))
)(
(( segid " " and resid 74 and name HA2 ))
)
3.300 3.300 0.000 peak 8783 weight 0.10000E+01 volume 0.20410E+01 ppm1 4.324 ppm2 4.112
ASSI (
(( segid " " and resid 74 and name HA1 ))
)(
(( segid " " and resid 74 and name HN ))
)
5.000 5.000 0.000 peak 6113 weight 0.10000E+01 volume 0.40900E+00 ppm1 4.322 ppm2 7.638
ASSI (
(( segid " " and resid 74 and name HA1 ))
)(
(( segid " " and resid 92 and name HA ))
)
5.000 5.000 0.000 peak 8778 weight 0.10000E+01 volume 0.11280E+01 ppm1 4.322 ppm2 5.261
ASSI (
(( segid " " and resid 74 and name HA2 ))
)(
(( segid " " and resid 73 and name HN ))
)
5.000 5.000 0.000 peak 8775 weight 0.10000E+01 volume 0.58400E+00 ppm1 4.104 ppm2 8.886
ASSI (
(( segid " " and resid 74 and name HA2 ))
)(
(( segid " " and resid 74 and name HN ))
)
5.000 5.000 0.000 peak 8777 weight 0.10000E+01 volume 0.30700E+00 ppm1 4.103 ppm2 7.637
ASSI (
(( segid " " and resid 74 and name HA2 ))
)(
(( segid " " and resid 92 and name HA ))
)
5.000 5.000 0.000 peak 8780 weight 0.10000E+01 volume 0.75800E+00 ppm1 4.104 ppm2 5.261
ASSI (
(( segid " " and resid 75 and name HA ))
)(
(( segid " " and resid 75 and name HB1 ))
)
5.000 5.000 0.000 peak 8785 weight 0.10000E+01 volume 0.59000E+00 ppm1 4.726 ppm2 1.901
ASSI (
(( segid " " and resid 75 and name HA ))
)(
(( segid " " and resid 75 and name HB2 ))
)
5.000 5.000 0.000 peak 8786 weight 0.10000E+01 volume 0.62000E+00 ppm1 4.727 ppm2 1.778
ASSI (
(( segid " " and resid 75 and name HA ))
)(
(( segid " " and resid 75 and name HG2 ))
OR
(( segid " " and resid 75 and name HG1 ))
)
5.000 5.000 0.000 peak 5045 weight 0.10000E+01 volume 0.51700E+00 ppm1 4.727 ppm2 2.150
ASSI (
(( segid " " and resid 75 and name HA ))
)(
(( segid " " and resid 75 and name HN ))
)
5.000 5.000 0.000 peak 6769 weight 0.10000E+01 volume 0.43900E+00 ppm1 4.728 ppm2 8.797
ASSI (
(( segid " " and resid 75 and name HB1 ))
)(
(( segid " " and resid 75 and name HN ))
)
5.000 5.000 0.000 peak 8789 weight 0.10000E+01 volume 0.36700E+00 ppm1 1.888 ppm2 8.803
ASSI (
(( segid " " and resid 75 and name HB2 ))
)(
(( segid " " and resid 75 and name HN ))
)
6.000 6.000 0.000 peak 8788 weight 0.10000E+01 volume 0.29000E+00 ppm1 1.781 ppm2 8.802
ASSI (
(( segid " " and resid 75 and name HB2 ))
)(
(( segid " " and resid 76 and name HN ))
)
5.000 5.000 0.000 peak 8790 weight 0.10000E+01 volume 0.90000E+00 ppm1 1.781 ppm2 8.337
ASSI (
(( segid " " and resid 75 and name HG2 ))
OR
(( segid " " and resid 75 and name HG1 ))
)(
(( segid " " and resid 76 and name HN ))
)
5.000 5.000 0.000 peak 8793 weight 0.10000E+01 volume 0.36400E+00 ppm1 2.131 ppm2 8.351
ASSI (
(( segid " " and resid 76 and name HA ))
)(
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)
3.300 3.300 0.000 peak 8800 weight 0.10000E+01 volume 0.19410E+01 ppm1 4.300 ppm2 0.499
ASSI (
(( segid " " and resid 76 and name HA ))
)(
(( segid " " and resid 77 and name HB2 ))
OR
(( segid " " and resid 77 and name HB1 ))
)
5.000 5.000 0.000 peak 8799 weight 0.10000E+01 volume 0.80900E+00 ppm1 4.301 ppm2 1.809
ASSI (
(( segid " " and resid 76 and name HA ))
)(
(( segid " " and resid 77 and name HN ))
)
3.300 3.300 0.000 peak 6781 weight 0.10000E+01 volume 0.26260E+01 ppm1 4.297 ppm2 9.248
ASSI (
(( segid " " and resid 76 and name HA ))
)(
(( segid " " and resid 90 and name HA ))
)
5.000 5.000 0.000 peak 8797 weight 0.10000E+01 volume 0.66900E+00 ppm1 4.297 ppm2 5.415
ASSI (
(( segid " " and resid 76 and name HA ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
5.000 5.000 0.000 peak 8794 weight 0.10000E+01 volume 0.74900E+00 ppm1 4.297 ppm2 7.023
ASSI (
(( segid " " and resid 76 and name HA ))
)(
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)
5.000 5.000 0.000 peak 8796 weight 0.10000E+01 volume 0.31500E+00 ppm1 4.297 ppm2 6.695
ASSI (
(( segid " " and resid 76 and name HB ))
)(
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
)
2.700 2.700 0.000 peak 8804 weight 0.10000E+01 volume 0.39860E+01 ppm1 2.001 ppm2 0.992
ASSI (
(( segid " " and resid 76 and name HB ))
)(
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)
2.700 2.700 0.000 peak 8805 weight 0.10000E+01 volume 0.42280E+01 ppm1 2.000 ppm2 0.497
ASSI (
(( segid " " and resid 76 and name HB ))
)(
(( segid " " and resid 76 and name HN ))
)
3.300 3.300 0.000 peak 6132 weight 0.10000E+01 volume 0.21140E+01 ppm1 2.001 ppm2 8.343
ASSI (
(( segid " " and resid 76 and name HB ))
)(
(( segid " " and resid 77 and name HN ))
)
6.000 6.000 0.000 peak 6779 weight 0.10000E+01 volume 0.21800E+00 ppm1 2.001 ppm2 9.253
ASSI (
(( segid " " and resid 76 and name HB ))
)(
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
)
5.000 5.000 0.000 peak 5687 weight 0.10000E+01 volume 0.10640E+01 ppm1 1.998 ppm2 0.654
ASSI (
(( segid " " and resid 76 and name HB ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
5.000 5.000 0.000 peak 8801 weight 0.10000E+01 volume 0.35200E+00 ppm1 2.000 ppm2 7.024
ASSI (
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
)(
(( segid " " and resid 71 and name HN ))
)
3.300 3.300 0.000 peak 8806 weight 0.10000E+01 volume 0.27350E+01 ppm1 0.980 ppm2 8.288
ASSI (
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
)(
(( segid " " and resid 75 and name HN ))
)
5.000 5.000 0.000 peak 6765 weight 0.10000E+01 volume 0.36400E+00 ppm1 0.979 ppm2 8.805
ASSI (
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
)(
(( segid " " and resid 76 and name HN ))
)
3.300 3.300 0.000 peak 6081 weight 0.10000E+01 volume 0.17830E+01 ppm1 0.980 ppm2 8.342
ASSI (
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
)(
(( segid " " and resid 77 and name HN ))
)
5.000 5.000 0.000 peak 6139 weight 0.10000E+01 volume 0.57900E+00 ppm1 0.979 ppm2 9.255
ASSI (
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
3.300 3.300 0.000 peak 8808 weight 0.10000E+01 volume 0.22170E+01 ppm1 0.980 ppm2 7.023
ASSI (
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
)(
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)
3.300 3.300 0.000 peak 8810 weight 0.10000E+01 volume 0.17700E+01 ppm1 0.981 ppm2 6.693
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)(
(( segid " " and resid 76 and name HN ))
)
5.000 5.000 0.000 peak 6127 weight 0.10000E+01 volume 0.82900E+00 ppm1 0.492 ppm2 8.335
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)(
(( segid " " and resid 77 and name HN ))
)
5.000 5.000 0.000 peak 6137 weight 0.10000E+01 volume 0.82300E+00 ppm1 0.491 ppm2 9.255
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)(
(( segid " " and resid 78 and name HA ))
)
6.000 6.000 0.000 peak 8822 weight 0.10000E+01 volume 0.26400E+00 ppm1 0.489 ppm2 4.067
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)(
(( segid " " and resid 88 and name HA ))
)
5.000 5.000 0.000 peak 5681 weight 0.10000E+01 volume 0.49600E+00 ppm1 0.490 ppm2 4.721
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)(
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)
3.300 3.300 0.000 peak 8824 weight 0.10000E+01 volume 0.19190E+01 ppm1 0.490 ppm2 -0.605
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)(
(( segid " " and resid 90 and name HA ))
)
6.000 6.000 0.000 peak 8817 weight 0.10000E+01 volume 0.20600E+00 ppm1 0.490 ppm2 5.423
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
5.000 5.000 0.000 peak 8814 weight 0.10000E+01 volume 0.69400E+00 ppm1 0.490 ppm2 7.032
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)(
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)
5.000 5.000 0.000 peak 8816 weight 0.10000E+01 volume 0.12620E+01 ppm1 0.491 ppm2 6.694
ASSI (
(( segid " " and resid 77 and name HA ))
)(
(( segid " " and resid 77 and name HN ))
)
5.000 5.000 0.000 peak 6783 weight 0.10000E+01 volume 0.51800E+00 ppm1 4.416 ppm2 9.247
ASSI (
(( segid " " and resid 77 and name HB1 ))
)(
(( segid " " and resid 77 and name HA ))
)
3.300 3.300 0.000 peak 8832 weight 0.10000E+01 volume 0.27380E+01 ppm1 1.824 ppm2 4.431
ASSI (
(( segid " " and resid 77 and name HB1 ))
)(
(( segid " " and resid 77 and name HN ))
)
3.300 3.300 0.000 peak 6141 weight 0.10000E+01 volume 0.17320E+01 ppm1 1.821 ppm2 9.252
ASSI (
(( segid " " and resid 77 and name HB1 ))
)(
(( segid " " and resid 78 and name HN ))
)
5.000 5.000 0.000 peak 8828 weight 0.10000E+01 volume 0.76000E+00 ppm1 1.822 ppm2 8.515
ASSI (
(( segid " " and resid 77 and name HB1 ))
)(
(( segid " " and resid 89 and name HN ))
)
5.000 5.000 0.000 peak 8830 weight 0.10000E+01 volume 0.97000E+00 ppm1 1.822 ppm2 7.819
ASSI (
(( segid " " and resid 77 and name HB2 ))
)(
(( segid " " and resid 77 and name HA ))
)
3.300 3.300 0.000 peak 8833 weight 0.10000E+01 volume 0.27320E+01 ppm1 1.782 ppm2 4.432
ASSI (
(( segid " " and resid 77 and name HB2 ))
)(
(( segid " " and resid 77 and name HN ))
)
3.300 3.300 0.000 peak 6142 weight 0.10000E+01 volume 0.17100E+01 ppm1 1.782 ppm2 9.251
ASSI (
(( segid " " and resid 77 and name HB2 ))
)(
(( segid " " and resid 78 and name HN ))
)
5.000 5.000 0.000 peak 8829 weight 0.10000E+01 volume 0.74600E+00 ppm1 1.782 ppm2 8.515
ASSI (
(( segid " " and resid 77 and name HB2 ))
)(
(( segid " " and resid 89 and name HN ))
)
5.000 5.000 0.000 peak 8831 weight 0.10000E+01 volume 0.98500E+00 ppm1 1.783 ppm2 7.819
ASSI (
(( segid " " and resid 77 and name HG1 ))
)(
(( segid " " and resid 77 and name HA ))
)
5.000 5.000 0.000 peak 8835 weight 0.10000E+01 volume 0.13740E+01 ppm1 2.055 ppm2 4.437
ASSI (
(( segid " " and resid 77 and name HG1 ))
)(
(( segid " " and resid 77 and name HN ))
)
5.000 5.000 0.000 peak 8840 weight 0.10000E+01 volume 0.56700E+00 ppm1 2.061 ppm2 9.255
ASSI (
(( segid " " and resid 77 and name HG1 ))
)(
(( segid " " and resid 78 and name HN ))
)
5.000 5.000 0.000 peak 8839 weight 0.10000E+01 volume 0.69300E+00 ppm1 2.061 ppm2 8.521
ASSI (
(( segid " " and resid 77 and name HG2 ))
)(
(( segid " " and resid 77 and name HA ))
)
5.000 5.000 0.000 peak 8834 weight 0.10000E+01 volume 0.14370E+01 ppm1 1.971 ppm2 4.439
ASSI (
(( segid " " and resid 77 and name HG2 ))
)(
(( segid " " and resid 77 and name HN ))
)
5.000 5.000 0.000 peak 8841 weight 0.10000E+01 volume 0.49800E+00 ppm1 1.970 ppm2 9.254
ASSI (
(( segid " " and resid 77 and name HG2 ))
)(
(( segid " " and resid 78 and name HN ))
)
5.000 5.000 0.000 peak 8838 weight 0.10000E+01 volume 0.54900E+00 ppm1 1.969 ppm2 8.521
ASSI (
(( segid " " and resid 78 and name HA ))
)(
(( segid " " and resid 78 and name HB ))
)
5.000 5.000 0.000 peak 8845 weight 0.10000E+01 volume 0.10260E+01 ppm1 4.043 ppm2 1.802
ASSI (
(( segid " " and resid 78 and name HA ))
)(
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
5.000 5.000 0.000 peak 8846 weight 0.10000E+01 volume 0.64100E+00 ppm1 4.044 ppm2 1.384
ASSI (
(( segid " " and resid 78 and name HA ))
)(
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)
3.300 3.300 0.000 peak 8847 weight 0.10000E+01 volume 0.24600E+01 ppm1 4.043 ppm2 0.684
ASSI (
(( segid " " and resid 78 and name HA ))
)(
(( segid " " and resid 78 and name HN ))
)
5.000 5.000 0.000 peak 8842 weight 0.10000E+01 volume 0.93900E+00 ppm1 4.044 ppm2 8.523
ASSI (
(( segid " " and resid 78 and name HA ))
)(
(( segid " " and resid 79 and name HN ))
)
3.300 3.300 0.000 peak 6349 weight 0.10000E+01 volume 0.18380E+01 ppm1 4.043 ppm2 7.869
ASSI (
(( segid " " and resid 78 and name HB ))
)(
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
5.000 5.000 0.000 peak 5408 weight 0.10000E+01 volume 0.94300E+00 ppm1 1.786 ppm2 1.392
ASSI (
(( segid " " and resid 78 and name HB ))
)(
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)
2.700 2.700 0.000 peak 8851 weight 0.10000E+01 volume 0.50200E+01 ppm1 1.787 ppm2 0.684
ASSI (
(( segid " " and resid 78 and name HB ))
)(
(( segid " " and resid 78 and name HN ))
)
3.300 3.300 0.000 peak 8848 weight 0.10000E+01 volume 0.17230E+01 ppm1 1.787 ppm2 8.512
ASSI (
(( segid " " and resid 78 and name HB ))
)(
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)
5.000 5.000 0.000 peak 8852 weight 0.10000E+01 volume 0.35000E+00 ppm1 1.786 ppm2 0.498
ASSI (
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
)(
(( segid " " and resid 77 and name HG1 ))
)
5.000 5.000 0.000 peak 8873 weight 0.10000E+01 volume 0.33900E+00 ppm1 0.654 ppm2 2.047
ASSI (
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
)(
(( segid " " and resid 78 and name HA ))
)
5.000 5.000 0.000 peak 8870 weight 0.10000E+01 volume 0.92900E+00 ppm1 0.656 ppm2 4.062
ASSI (
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
)(
(( segid " " and resid 78 and name HN ))
)
5.000 5.000 0.000 peak 6795 weight 0.10000E+01 volume 0.72400E+00 ppm1 0.658 ppm2 8.511
ASSI (
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
)(
(( segid " " and resid 79 and name HN ))
)
5.000 5.000 0.000 peak 8864 weight 0.10000E+01 volume 0.48500E+00 ppm1 0.656 ppm2 7.850
ASSI (
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
)(
(( segid " " and resid 82 and name HA ))
)
5.000 5.000 0.000 peak 8867 weight 0.10000E+01 volume 0.57200E+00 ppm1 0.658 ppm2 4.670
ASSI (
(( segid " " and resid 78 and name HD13))
OR
(( segid " " and resid 78 and name HD12))
OR
(( segid " " and resid 78 and name HD11))
)(
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)
3.300 3.300 0.000 peak 5685 weight 0.10000E+01 volume 0.15880E+01 ppm1 0.656 ppm2 -0.604
ASSI (
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 78 and name HN ))
)
5.000 5.000 0.000 peak 8855 weight 0.10000E+01 volume 0.11110E+01 ppm1 1.378 ppm2 8.519
ASSI (
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)(
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
3.300 3.300 0.000 peak 8861 weight 0.10000E+01 volume 0.15210E+01 ppm1 0.677 ppm2 1.390
ASSI (
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)(
(( segid " " and resid 78 and name HN ))
)
5.000 5.000 0.000 peak 6796 weight 0.10000E+01 volume 0.81500E+00 ppm1 0.676 ppm2 8.510
ASSI (
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)(
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)
5.000 5.000 0.000 peak 8860 weight 0.10000E+01 volume 0.62600E+00 ppm1 0.675 ppm2 1.909
ASSI (
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)(
(( segid " " and resid 79 and name HE2 ))
)
6.000 6.000 0.000 peak 5684 weight 0.10000E+01 volume 0.29700E+00 ppm1 0.677 ppm2 2.803
ASSI (
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)(
(( segid " " and resid 80 and name HN ))
)
5.000 5.000 0.000 peak 6818 weight 0.10000E+01 volume 0.56900E+00 ppm1 0.676 ppm2 8.952
ASSI (
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)(
(( segid " " and resid 81 and name HN ))
)
5.000 5.000 0.000 peak 6832 weight 0.10000E+01 volume 0.56700E+00 ppm1 0.678 ppm2 8.731
ASSI (
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)(
(( segid " " and resid 82 and name HG ))
)
5.000 5.000 0.000 peak 5698 weight 0.10000E+01 volume 0.66600E+00 ppm1 0.676 ppm2 1.660
ASSI (
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)(
(( segid " " and resid 82 and name HN ))
)
5.000 5.000 0.000 peak 6846 weight 0.10000E+01 volume 0.45800E+00 ppm1 0.676 ppm2 7.927
ASSI (
(( segid " " and resid 79 and name HA ))
)(
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)
2.700 2.700 0.000 peak 8878 weight 0.10000E+01 volume 0.34170E+01 ppm1 4.221 ppm2 1.907
ASSI (
(( segid " " and resid 79 and name HA ))
)(
(( segid " " and resid 79 and name HD2 ))
OR
(( segid " " and resid 79 and name HD1 ))
)
5.000 5.000 0.000 peak 8879 weight 0.10000E+01 volume 0.10900E+01 ppm1 4.221 ppm2 1.555
ASSI (
(( segid " " and resid 79 and name HA ))
)(
(( segid " " and resid 79 and name HG2 ))
)
5.000 5.000 0.000 peak 8881 weight 0.10000E+01 volume 0.65000E+00 ppm1 4.222 ppm2 1.306
ASSI (
(( segid " " and resid 79 and name HA ))
)(
(( segid " " and resid 79 and name HN ))
)
5.000 5.000 0.000 peak 6811 weight 0.10000E+01 volume 0.66100E+00 ppm1 4.221 ppm2 7.876
ASSI (
(( segid " " and resid 79 and name HA ))
)(
(( segid " " and resid 80 and name HG23))
OR
(( segid " " and resid 80 and name HG22))
OR
(( segid " " and resid 80 and name HG21))
)
5.000 5.000 0.000 peak 5051 weight 0.10000E+01 volume 0.44000E+00 ppm1 4.222 ppm2 1.119
ASSI (
(( segid " " and resid 79 and name HA ))
)(
(( segid " " and resid 80 and name HN ))
)
5.000 5.000 0.000 peak 8874 weight 0.10000E+01 volume 0.69800E+00 ppm1 4.223 ppm2 8.947
ASSI (
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)(
(( segid " " and resid 78 and name HA ))
)
5.000 5.000 0.000 peak 8883 weight 0.10000E+01 volume 0.14710E+01 ppm1 1.891 ppm2 4.066
ASSI (
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)(
(( segid " " and resid 79 and name HN ))
)
3.300 3.300 0.000 peak 6808 weight 0.10000E+01 volume 0.25890E+01 ppm1 1.896 ppm2 7.866
ASSI (
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)(
(( segid " " and resid 80 and name HG23))
OR
(( segid " " and resid 80 and name HG22))
OR
(( segid " " and resid 80 and name HG21))
)
3.300 3.300 0.000 peak 5409 weight 0.10000E+01 volume 0.21430E+01 ppm1 1.892 ppm2 1.121
ASSI (
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)(
(( segid " " and resid 80 and name HN ))
)
5.000 5.000 0.000 peak 6823 weight 0.10000E+01 volume 0.89300E+00 ppm1 1.889 ppm2 8.949
ASSI (
(( segid " " and resid 79 and name HD2 ))
OR
(( segid " " and resid 79 and name HD1 ))
)(
(( segid " " and resid 79 and name HN ))
)
5.000 5.000 0.000 peak 6806 weight 0.10000E+01 volume 0.31500E+00 ppm1 1.545 ppm2 7.868
ASSI (
(( segid " " and resid 79 and name HE1 ))
)(
(( segid " " and resid 79 and name HD2 ))
OR
(( segid " " and resid 79 and name HD1 ))
)
2.700 2.700 0.000 peak 8910 weight 0.10000E+01 volume 0.34370E+01 ppm1 2.852 ppm2 1.555
ASSI (
(( segid " " and resid 79 and name HE2 ))
)(
(( segid " " and resid 79 and name HD2 ))
OR
(( segid " " and resid 79 and name HD1 ))
)
2.700 2.700 0.000 peak 8911 weight 0.10000E+01 volume 0.33120E+01 ppm1 2.789 ppm2 1.555
ASSI (
(( segid " " and resid 79 and name HG1 ))
)(
(( segid " " and resid 78 and name HA ))
)
6.000 6.000 0.000 peak 8886 weight 0.10000E+01 volume 0.26300E+00 ppm1 1.399 ppm2 4.065
ASSI (
(( segid " " and resid 79 and name HG1 ))
)(
(( segid " " and resid 79 and name HA ))
)
5.000 5.000 0.000 peak 5055 weight 0.10000E+01 volume 0.11850E+01 ppm1 1.397 ppm2 4.239
ASSI (
(( segid " " and resid 79 and name HG1 ))
)(
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)
2.700 2.700 0.000 peak 8893 weight 0.10000E+01 volume 0.56190E+01 ppm1 1.400 ppm2 1.904
ASSI (
(( segid " " and resid 79 and name HG1 ))
)(
(( segid " " and resid 79 and name HE1 ))
)
5.000 5.000 0.000 peak 8888 weight 0.10000E+01 volume 0.67500E+00 ppm1 1.399 ppm2 2.836
ASSI (
(( segid " " and resid 79 and name HG1 ))
)(
(( segid " " and resid 79 and name HN ))
)
5.000 5.000 0.000 peak 6338 weight 0.10000E+01 volume 0.72600E+00 ppm1 1.400 ppm2 7.870
ASSI (
(( segid " " and resid 79 and name HG2 ))
)(
(( segid " " and resid 78 and name HA ))
)
6.000 6.000 0.000 peak 8887 weight 0.10000E+01 volume 0.23500E+00 ppm1 1.326 ppm2 4.065
ASSI (
(( segid " " and resid 79 and name HG2 ))
)(
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)
2.700 2.700 0.000 peak 8894 weight 0.10000E+01 volume 0.54910E+01 ppm1 1.324 ppm2 1.903
ASSI (
(( segid " " and resid 79 and name HG2 ))
)(
(( segid " " and resid 79 and name HN ))
)
5.000 5.000 0.000 peak 6337 weight 0.10000E+01 volume 0.69800E+00 ppm1 1.324 ppm2 7.870
ASSI (
(( segid " " and resid 80 and name HA ))
)(
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)
6.000 6.000 0.000 peak 8918 weight 0.10000E+01 volume 0.22100E+00 ppm1 4.433 ppm2 1.907
ASSI (
(( segid " " and resid 80 and name HA ))
)(
(( segid " " and resid 80 and name HB ))
)
3.300 3.300 0.000 peak 8917 weight 0.10000E+01 volume 0.18100E+01 ppm1 4.434 ppm2 4.278
ASSI (
(( segid " " and resid 80 and name HA ))
)(
(( segid " " and resid 80 and name HG23))
OR
(( segid " " and resid 80 and name HG22))
OR
(( segid " " and resid 80 and name HG21))
)
2.700 2.700 0.000 peak 8919 weight 0.10000E+01 volume 0.42350E+01 ppm1 4.434 ppm2 1.126
ASSI (
(( segid " " and resid 80 and name HA ))
)(
(( segid " " and resid 80 and name HN ))
)
5.000 5.000 0.000 peak 6828 weight 0.10000E+01 volume 0.35300E+00 ppm1 4.435 ppm2 8.953
ASSI (
(( segid " " and resid 80 and name HA ))
)(
(( segid " " and resid 81 and name HN ))
)
5.000 5.000 0.000 peak 8915 weight 0.10000E+01 volume 0.46600E+00 ppm1 4.434 ppm2 8.732
ASSI (
(( segid " " and resid 80 and name HA ))
)(
(( segid " " and resid 83 and name HG ))
)
6.000 6.000 0.000 peak 8916 weight 0.10000E+01 volume 0.20700E+00 ppm1 4.435 ppm2 4.623
ASSI (
(( segid " " and resid 80 and name HB ))
)(
(( segid " " and resid 80 and name HN ))
)
5.000 5.000 0.000 peak 8920 weight 0.10000E+01 volume 0.36500E+00 ppm1 4.256 ppm2 8.947
ASSI (
(( segid " " and resid 80 and name HB ))
)(
(( segid " " and resid 81 and name HN ))
)
5.000 5.000 0.000 peak 6841 weight 0.10000E+01 volume 0.10790E+01 ppm1 4.257 ppm2 8.736
ASSI (
(( segid " " and resid 80 and name HG23))
OR
(( segid " " and resid 80 and name HG22))
OR
(( segid " " and resid 80 and name HG21))
)(
(( segid " " and resid 79 and name HN ))
)
6.000 6.000 0.000 peak 8921 weight 0.10000E+01 volume 0.24600E+00 ppm1 1.114 ppm2 7.873
ASSI (
(( segid " " and resid 80 and name HG23))
OR
(( segid " " and resid 80 and name HG22))
OR
(( segid " " and resid 80 and name HG21))
)(
(( segid " " and resid 80 and name HB ))
)
3.300 3.300 0.000 peak 5696 weight 0.10000E+01 volume 0.27630E+01 ppm1 1.115 ppm2 4.281
ASSI (
(( segid " " and resid 80 and name HG23))
OR
(( segid " " and resid 80 and name HG22))
OR
(( segid " " and resid 80 and name HG21))
)(
(( segid " " and resid 80 and name HN ))
)
5.000 5.000 0.000 peak 6820 weight 0.10000E+01 volume 0.50400E+00 ppm1 1.113 ppm2 8.954
ASSI (
(( segid " " and resid 80 and name HG23))
OR
(( segid " " and resid 80 and name HG22))
OR
(( segid " " and resid 80 and name HG21))
)(
(( segid " " and resid 81 and name HN ))
)
5.000 5.000 0.000 peak 6834 weight 0.10000E+01 volume 0.47100E+00 ppm1 1.112 ppm2 8.732
ASSI (
(( segid " " and resid 81 and name HA ))
)(
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)
5.000 5.000 0.000 peak 5053 weight 0.10000E+01 volume 0.95700E+00 ppm1 4.457 ppm2 0.684
ASSI (
(( segid " " and resid 81 and name HA ))
)(
(( segid " " and resid 81 and name HB2 ))
)
3.300 3.300 0.000 peak 8927 weight 0.10000E+01 volume 0.15790E+01 ppm1 4.458 ppm2 2.797
ASSI (
(( segid " " and resid 81 and name HA ))
)(
(( segid " " and resid 82 and name HN ))
)
5.000 5.000 0.000 peak 6862 weight 0.10000E+01 volume 0.65800E+00 ppm1 4.459 ppm2 7.929
ASSI (
(( segid " " and resid 81 and name HB1 ))
)(
(( segid " " and resid 81 and name HA ))
)
3.300 3.300 0.000 peak 8930 weight 0.10000E+01 volume 0.21830E+01 ppm1 3.003 ppm2 4.470
ASSI (
(( segid " " and resid 81 and name HB1 ))
)(
(( segid " " and resid 81 and name HB2 ))
)
2.700 2.700 0.000 peak 8933 weight 0.10000E+01 volume 0.42840E+01 ppm1 3.001 ppm2 2.794
ASSI (
(( segid " " and resid 81 and name HB1 ))
)(
(( segid " " and resid 81 and name HN ))
)
5.000 5.000 0.000 peak 6838 weight 0.10000E+01 volume 0.63100E+00 ppm1 3.003 ppm2 8.732
ASSI (
(( segid " " and resid 81 and name HB1 ))
)(
(( segid " " and resid 83 and name HN ))
)
5.000 5.000 0.000 peak 6875 weight 0.10000E+01 volume 0.14000E+01 ppm1 3.000 ppm2 7.912
ASSI (
(( segid " " and resid 81 and name HB2 ))
)(
(( segid " " and resid 81 and name HN ))
)
6.000 6.000 0.000 peak 8929 weight 0.10000E+01 volume 0.27400E+00 ppm1 2.783 ppm2 8.732
ASSI (
(( segid " " and resid 81 and name HB2 ))
)(
(( segid " " and resid 82 and name HN ))
)
5.000 5.000 0.000 peak 6544 weight 0.10000E+01 volume 0.85300E+00 ppm1 2.783 ppm2 7.929
ASSI (
(( segid " " and resid 81 and name HB2 ))
)(
(( segid " " and resid 83 and name HN ))
)
5.000 5.000 0.000 peak 6873 weight 0.10000E+01 volume 0.11450E+01 ppm1 2.783 ppm2 7.912
ASSI (
(( segid " " and resid 82 and name HB1 ))
)(
(( segid " " and resid 82 and name HA ))
)
5.000 5.000 0.000 peak 5414 weight 0.10000E+01 volume 0.45100E+00 ppm1 1.961 ppm2 4.655
ASSI (
(( segid " " and resid 82 and name HB1 ))
)(
(( segid " " and resid 82 and name HB2 ))
)
3.300 3.300 0.000 peak 8937 weight 0.10000E+01 volume 0.24940E+01 ppm1 1.962 ppm2 1.653
ASSI (
(( segid " " and resid 82 and name HB1 ))
)(
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)
5.000 5.000 0.000 peak 5710 weight 0.10000E+01 volume 0.75100E+00 ppm1 1.964 ppm2 0.879
ASSI (
(( segid " " and resid 82 and name HB1 ))
)(
(( segid " " and resid 82 and name HN ))
)
5.000 5.000 0.000 peak 6541 weight 0.10000E+01 volume 0.34400E+00 ppm1 1.959 ppm2 7.923
ASSI (
(( segid " " and resid 82 and name HB1 ))
)(
(( segid " " and resid 115 and name HZ2 ))
)
6.000 6.000 0.000 peak 4558 weight 0.10000E+01 volume 0.21900E+00 ppm1 1.962 ppm2 7.169
ASSI (
(( segid " " and resid 82 and name HB2 ))
)(
(( segid " " and resid 82 and name HA ))
)
5.000 5.000 0.000 peak 5415 weight 0.10000E+01 volume 0.34800E+00 ppm1 1.638 ppm2 4.657
ASSI (
(( segid " " and resid 82 and name HB2 ))
)(
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)
3.300 3.300 0.000 peak 8941 weight 0.10000E+01 volume 0.15930E+01 ppm1 1.643 ppm2 0.985
ASSI (
(( segid " " and resid 82 and name HB2 ))
)(
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)
5.000 5.000 0.000 peak 8940 weight 0.10000E+01 volume 0.75300E+00 ppm1 1.643 ppm2 0.877
ASSI (
(( segid " " and resid 82 and name HB2 ))
)(
(( segid " " and resid 83 and name HN ))
)
5.000 5.000 0.000 peak 6870 weight 0.10000E+01 volume 0.41900E+00 ppm1 1.638 ppm2 7.926
ASSI (
(( segid " " and resid 82 and name HB2 ))
)(
(( segid " " and resid 115 and name HZ2 ))
)
6.000 6.000 0.000 peak 8935 weight 0.10000E+01 volume 0.18500E+00 ppm1 1.648 ppm2 7.168
ASSI (
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)(
(( segid " " and resid 66 and name HD2 ))
OR
(( segid " " and resid 66 and name HD1 ))
)
6.000 6.000 0.000 peak 8953 weight 0.10000E+01 volume 0.29500E+00 ppm1 0.969 ppm2 3.235
ASSI (
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)(
(( segid " " and resid 68 and name HD2 ))
)
5.000 5.000 0.000 peak 5702 weight 0.10000E+01 volume 0.43200E+00 ppm1 0.968 ppm2 2.480
ASSI (
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)(
(( segid " " and resid 80 and name HN ))
)
5.000 5.000 0.000 peak 6048 weight 0.10000E+01 volume 0.42100E+00 ppm1 0.967 ppm2 8.945
ASSI (
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)(
(( segid " " and resid 82 and name HA ))
)
5.000 5.000 0.000 peak 5704 weight 0.10000E+01 volume 0.56100E+00 ppm1 0.969 ppm2 4.650
ASSI (
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)(
(( segid " " and resid 82 and name HB1 ))
)
3.300 3.300 0.000 peak 8956 weight 0.10000E+01 volume 0.16710E+01 ppm1 0.972 ppm2 1.962
ASSI (
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)(
(( segid " " and resid 82 and name HG ))
)
2.700 2.700 0.000 peak 8957 weight 0.10000E+01 volume 0.40850E+01 ppm1 0.969 ppm2 1.670
ASSI (
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)(
(( segid " " and resid 82 and name HN ))
)
5.000 5.000 0.000 peak 6850 weight 0.10000E+01 volume 0.40000E+00 ppm1 0.970 ppm2 7.930
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 67 and name HB2 ))
)
6.000 6.000 0.000 peak 8968 weight 0.10000E+01 volume 0.26500E+00 ppm1 0.874 ppm2 2.987
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 67 and name HN ))
)
6.000 6.000 0.000 peak 8958 weight 0.10000E+01 volume 0.12800E+00 ppm1 0.873 ppm2 8.944
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 81 and name HB2 ))
)
6.000 6.000 0.000 peak 8969 weight 0.10000E+01 volume 0.11200E+00 ppm1 0.875 ppm2 2.797
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 82 and name HA ))
)
3.300 3.300 0.000 peak 5711 weight 0.10000E+01 volume 0.25180E+01 ppm1 0.874 ppm2 4.658
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 82 and name HN ))
)
5.000 5.000 0.000 peak 6848 weight 0.10000E+01 volume 0.78300E+00 ppm1 0.874 ppm2 7.929
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 83 and name HN ))
)
5.000 5.000 0.000 peak 6867 weight 0.10000E+01 volume 0.47900E+00 ppm1 0.874 ppm2 7.910
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)
5.000 5.000 0.000 peak 5705 weight 0.10000E+01 volume 0.41800E+00 ppm1 0.873 ppm2 -0.605
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 115 and name HH2 ))
)
5.000 5.000 0.000 peak 8963 weight 0.10000E+01 volume 0.12570E+01 ppm1 0.874 ppm2 6.786
ASSI (
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)(
(( segid " " and resid 115 and name HZ2 ))
)
3.300 3.300 0.000 peak 8961 weight 0.10000E+01 volume 0.17210E+01 ppm1 0.874 ppm2 7.162
ASSI (
(( segid " " and resid 82 and name HG ))
)(
(( segid " " and resid 82 and name HA ))
)
5.000 5.000 0.000 peak 5699 weight 0.10000E+01 volume 0.72200E+00 ppm1 1.658 ppm2 4.646
ASSI (
(( segid " " and resid 82 and name HG ))
)(
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)
3.300 3.300 0.000 peak 8943 weight 0.10000E+01 volume 0.24300E+01 ppm1 1.661 ppm2 0.887
ASSI (
(( segid " " and resid 82 and name HG ))
)(
(( segid " " and resid 82 and name HN ))
)
5.000 5.000 0.000 peak 6852 weight 0.10000E+01 volume 0.79300E+00 ppm1 1.661 ppm2 7.936
ASSI (
(( segid " " and resid 83 and name HA ))
)(
(( segid " " and resid 64 and name HB2 ))
)
5.000 5.000 0.000 peak 5054 weight 0.10000E+01 volume 0.92600E+00 ppm1 4.243 ppm2 1.415
ASSI (
(( segid " " and resid 83 and name HA ))
)(
(( segid " " and resid 65 and name HN ))
)
5.000 5.000 0.000 peak 6643 weight 0.10000E+01 volume 0.75000E+00 ppm1 4.242 ppm2 8.555
ASSI (
(( segid " " and resid 83 and name HA ))
)(
(( segid " " and resid 83 and name HB2 ))
OR
(( segid " " and resid 83 and name HB1 ))
)
3.300 3.300 0.000 peak 8973 weight 0.10000E+01 volume 0.15660E+01 ppm1 4.242 ppm2 3.741
ASSI (
(( segid " " and resid 83 and name HA ))
)(
(( segid " " and resid 83 and name HN ))
)
5.000 5.000 0.000 peak 6881 weight 0.10000E+01 volume 0.57600E+00 ppm1 4.242 ppm2 7.912
ASSI (
(( segid " " and resid 83 and name HA ))
)(
(( segid " " and resid 84 and name HN ))
)
3.300 3.300 0.000 peak 8972 weight 0.10000E+01 volume 0.15830E+01 ppm1 4.243 ppm2 8.172
ASSI (
(( segid " " and resid 83 and name HB2 ))
OR
(( segid " " and resid 83 and name HB1 ))
)(
(( segid " " and resid 82 and name HN ))
)
5.000 5.000 0.000 peak 6859 weight 0.10000E+01 volume 0.10580E+01 ppm1 3.733 ppm2 7.929
ASSI (
(( segid " " and resid 83 and name HB2 ))
OR
(( segid " " and resid 83 and name HB1 ))
)(
(( segid " " and resid 83 and name HG ))
)
5.000 5.000 0.000 peak 8975 weight 0.10000E+01 volume 0.86400E+00 ppm1 3.735 ppm2 4.629
ASSI (
(( segid " " and resid 83 and name HB2 ))
OR
(( segid " " and resid 83 and name HB1 ))
)(
(( segid " " and resid 84 and name HN ))
)
5.000 5.000 0.000 peak 6894 weight 0.10000E+01 volume 0.96100E+00 ppm1 3.734 ppm2 8.156
ASSI (
(( segid " " and resid 84 and name HA ))
)(
(( segid " " and resid 84 and name HB1 ))
)
5.000 5.000 0.000 peak 8980 weight 0.10000E+01 volume 0.55900E+00 ppm1 3.603 ppm2 2.760
ASSI (
(( segid " " and resid 84 and name HA ))
)(
(( segid " " and resid 84 and name HB2 ))
)
5.000 5.000 0.000 peak 8983 weight 0.10000E+01 volume 0.41600E+00 ppm1 3.604 ppm2 2.504
ASSI (
(( segid " " and resid 84 and name HA ))
)(
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)
5.000 5.000 0.000 peak 8979 weight 0.10000E+01 volume 0.49100E+00 ppm1 3.604 ppm2 6.720
ASSI (
(( segid " " and resid 84 and name HA ))
)(
(( segid " " and resid 84 and name HN ))
)
5.000 5.000 0.000 peak 6892 weight 0.10000E+01 volume 0.34400E+00 ppm1 3.602 ppm2 8.160
ASSI (
(( segid " " and resid 84 and name HA ))
)(
(( segid " " and resid 106 and name HB1 ))
)
5.000 5.000 0.000 peak 8981 weight 0.10000E+01 volume 0.34300E+00 ppm1 3.604 ppm2 2.617
ASSI (
(( segid " " and resid 84 and name HA ))
)(
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)
6.000 6.000 0.000 peak 5061 weight 0.10000E+01 volume 0.21600E+00 ppm1 3.603 ppm2 0.512
ASSI (
(( segid " " and resid 84 and name HB1 ))
)(
(( segid " " and resid 84 and name HB2 ))
)
5.000 5.000 0.000 peak 8989 weight 0.10000E+01 volume 0.14780E+01 ppm1 2.750 ppm2 2.493
ASSI (
(( segid " " and resid 84 and name HB1 ))
)(
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)
5.000 5.000 0.000 peak 7423 weight 0.10000E+01 volume 0.45100E+00 ppm1 2.753 ppm2 6.721
ASSI (
(( segid " " and resid 84 and name HB1 ))
)(
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)
5.000 5.000 0.000 peak 5421 weight 0.10000E+01 volume 0.36500E+00 ppm1 2.752 ppm2 0.516
ASSI (
(( segid " " and resid 84 and name HB2 ))
)(
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)
5.000 5.000 0.000 peak 7422 weight 0.10000E+01 volume 0.52100E+00 ppm1 2.494 ppm2 6.720
ASSI (
(( segid " " and resid 84 and name HB2 ))
)(
(( segid " " and resid 84 and name HN ))
)
5.000 5.000 0.000 peak 8985 weight 0.10000E+01 volume 0.60900E+00 ppm1 2.496 ppm2 8.161
ASSI (
(( segid " " and resid 84 and name HB2 ))
)(
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)
6.000 6.000 0.000 peak 8990 weight 0.10000E+01 volume 0.23600E+00 ppm1 2.490 ppm2 0.519
ASSI (
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)(
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 8172 weight 0.10000E+01 volume 0.60200E+00 ppm1 6.707 ppm2 0.518
ASSI (
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)(
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
)
5.000 5.000 0.000 peak 8185 weight 0.10000E+01 volume 0.44500E+00 ppm1 6.706 ppm2 0.562
ASSI (
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)(
(( segid " " and resid 84 and name HE2 ))
OR
(( segid " " and resid 84 and name HE1 ))
)
2.700 2.700 0.000 peak 7429 weight 0.10000E+01 volume 0.38270E+01 ppm1 6.709 ppm2 7.348
ASSI (
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)(
(( segid " " and resid 86 and name HN ))
)
6.000 6.000 0.000 peak 8992 weight 0.10000E+01 volume 0.26100E+00 ppm1 6.708 ppm2 8.356
ASSI (
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)(
(( segid " " and resid 107 and name HA ))
)
5.000 5.000 0.000 peak 8993 weight 0.10000E+01 volume 0.49200E+00 ppm1 6.708 ppm2 4.935
ASSI (
(( segid " " and resid 84 and name HE2 ))
OR
(( segid " " and resid 84 and name HE1 ))
)(
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
6.000 6.000 0.000 peak 8170 weight 0.10000E+01 volume 0.19800E+00 ppm1 7.345 ppm2 0.536
ASSI (
(( segid " " and resid 84 and name HE2 ))
OR
(( segid " " and resid 84 and name HE1 ))
)(
(( segid " " and resid 107 and name HA ))
)
5.000 5.000 0.000 peak 8995 weight 0.10000E+01 volume 0.58700E+00 ppm1 7.346 ppm2 4.939
ASSI (
(( segid " " and resid 84 and name HE2 ))
OR
(( segid " " and resid 84 and name HE1 ))
)(
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)
5.000 5.000 0.000 peak 8998 weight 0.10000E+01 volume 0.62300E+00 ppm1 7.345 ppm2 0.712
ASSI (
(( segid " " and resid 85 and name HA1 ))
)(
(( segid " " and resid 85 and name HA2 ))
)
2.700 2.700 0.000 peak 9002 weight 0.10000E+01 volume 0.44890E+01 ppm1 3.871 ppm2 3.030
ASSI (
(( segid " " and resid 85 and name HA1 ))
)(
(( segid " " and resid 86 and name HN ))
)
5.000 5.000 0.000 peak 9000 weight 0.10000E+01 volume 0.30600E+00 ppm1 3.875 ppm2 8.341
ASSI (
(( segid " " and resid 85 and name HA2 ))
)(
(( segid " " and resid 85 and name HN ))
)
5.000 5.000 0.000 peak 6258 weight 0.10000E+01 volume 0.85800E+00 ppm1 3.015 ppm2 8.548
ASSI (
(( segid " " and resid 85 and name HA2 ))
)(
(( segid " " and resid 86 and name HN ))
)
6.000 6.000 0.000 peak 9001 weight 0.10000E+01 volume 0.27400E+00 ppm1 3.019 ppm2 8.339
ASSI (
(( segid " " and resid 86 and name HA ))
)(
(( segid " " and resid 86 and name HB2 ))
OR
(( segid " " and resid 86 and name HB1 ))
)
2.700 2.700 0.000 peak 9004 weight 0.10000E+01 volume 0.31430E+01 ppm1 4.361 ppm2 3.972
ASSI (
(( segid " " and resid 86 and name HA ))
)(
(( segid " " and resid 87 and name HA ))
)
5.000 5.000 0.000 peak 5066 weight 0.10000E+01 volume 0.33800E+00 ppm1 4.354 ppm2 5.555
ASSI (
(( segid " " and resid 86 and name HA ))
)(
(( segid " " and resid 87 and name HN ))
)
2.700 2.700 0.000 peak 6917 weight 0.10000E+01 volume 0.35550E+01 ppm1 4.362 ppm2 8.712
ASSI (
(( segid " " and resid 87 and name HA ))
)(
(( segid " " and resid 87 and name HB1 ))
)
5.000 5.000 0.000 peak 9010 weight 0.10000E+01 volume 0.56000E+00 ppm1 5.551 ppm2 1.999
ASSI (
(( segid " " and resid 87 and name HA ))
)(
(( segid " " and resid 87 and name HB2 ))
)
5.000 5.000 0.000 peak 9011 weight 0.10000E+01 volume 0.64100E+00 ppm1 5.549 ppm2 1.893
ASSI (
(( segid " " and resid 87 and name HA ))
)(
(( segid " " and resid 87 and name HG1 ))
)
5.000 5.000 0.000 peak 9009 weight 0.10000E+01 volume 0.43000E+00 ppm1 5.550 ppm2 2.201
ASSI (
(( segid " " and resid 87 and name HA ))
)(
(( segid " " and resid 87 and name HN ))
)
5.000 5.000 0.000 peak 9006 weight 0.10000E+01 volume 0.43200E+00 ppm1 5.550 ppm2 8.716
ASSI (
(( segid " " and resid 87 and name HA ))
)(
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)
5.000 5.000 0.000 peak 5069 weight 0.10000E+01 volume 0.30700E+00 ppm1 5.550 ppm2 0.467
ASSI (
(( segid " " and resid 87 and name HA ))
)(
(( segid " " and resid 88 and name HN ))
)
3.300 3.300 0.000 peak 5215 weight 0.10000E+01 volume 0.18630E+01 ppm1 5.549 ppm2 8.811
ASSI (
(( segid " " and resid 87 and name HA ))
)(
(( segid " " and resid 115 and name HZ3 ))
)
5.000 5.000 0.000 peak 9008 weight 0.10000E+01 volume 0.43100E+00 ppm1 5.553 ppm2 6.842
ASSI (
(( segid " " and resid 87 and name HB1 ))
)(
(( segid " " and resid 87 and name HN ))
)
5.000 5.000 0.000 peak 9015 weight 0.10000E+01 volume 0.56100E+00 ppm1 1.978 ppm2 8.710
ASSI (
(( segid " " and resid 87 and name HB1 ))
)(
(( segid " " and resid 88 and name HN ))
)
5.000 5.000 0.000 peak 9013 weight 0.10000E+01 volume 0.10390E+01 ppm1 1.982 ppm2 8.804
ASSI (
(( segid " " and resid 87 and name HG1 ))
)(
(( segid " " and resid 87 and name HE21))
)
5.000 5.000 0.000 peak 9020 weight 0.10000E+01 volume 0.14070E+01 ppm1 2.213 ppm2 7.538
ASSI (
(( segid " " and resid 87 and name HG1 ))
)(
(( segid " " and resid 87 and name HE22))
)
5.000 5.000 0.000 peak 9023 weight 0.10000E+01 volume 0.79500E+00 ppm1 2.213 ppm2 6.805
ASSI (
(( segid " " and resid 87 and name HG1 ))
)(
(( segid " " and resid 88 and name HN ))
)
5.000 5.000 0.000 peak 9018 weight 0.10000E+01 volume 0.11250E+01 ppm1 2.212 ppm2 8.807
ASSI (
(( segid " " and resid 87 and name HG1 ))
)(
(( segid " " and resid 104 and name HN ))
)
5.000 5.000 0.000 peak 7172 weight 0.10000E+01 volume 0.43700E+00 ppm1 2.207 ppm2 8.053
ASSI (
(( segid " " and resid 87 and name HG2 ))
)(
(( segid " " and resid 87 and name HA ))
)
5.000 5.000 0.000 peak 9027 weight 0.10000E+01 volume 0.10290E+01 ppm1 2.155 ppm2 5.568
ASSI (
(( segid " " and resid 87 and name HG2 ))
)(
(( segid " " and resid 87 and name HE22))
)
5.000 5.000 0.000 peak 9025 weight 0.10000E+01 volume 0.79500E+00 ppm1 2.155 ppm2 6.804
ASSI (
(( segid " " and resid 87 and name HG2 ))
)(
(( segid " " and resid 88 and name HN ))
)
5.000 5.000 0.000 peak 9019 weight 0.10000E+01 volume 0.92500E+00 ppm1 2.155 ppm2 8.807
ASSI (
(( segid " " and resid 87 and name HG2 ))
)(
(( segid " " and resid 104 and name HN ))
)
5.000 5.000 0.000 peak 7173 weight 0.10000E+01 volume 0.59400E+00 ppm1 2.155 ppm2 8.053
ASSI (
(( segid " " and resid 88 and name HA ))
)(
(( segid " " and resid 89 and name HN ))
)
5.000 5.000 0.000 peak 8055 weight 0.10000E+01 volume 0.38400E+00 ppm1 4.700 ppm2 7.818
ASSI (
(( segid " " and resid 88 and name HB ))
)(
(( segid " " and resid 88 and name HA ))
)
5.000 5.000 0.000 peak 5427 weight 0.10000E+01 volume 0.80300E+00 ppm1 1.154 ppm2 4.714
ASSI (
(( segid " " and resid 88 and name HB ))
)(
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)
5.000 5.000 0.000 peak 9043 weight 0.10000E+01 volume 0.69900E+00 ppm1 1.158 ppm2 -0.604
ASSI (
(( segid " " and resid 88 and name HB ))
)(
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)
2.700 2.700 0.000 peak 9042 weight 0.10000E+01 volume 0.32230E+01 ppm1 1.159 ppm2 0.497
ASSI (
(( segid " " and resid 88 and name HB ))
)(
(( segid " " and resid 89 and name HN ))
)
5.000 5.000 0.000 peak 9041 weight 0.10000E+01 volume 0.68500E+00 ppm1 1.157 ppm2 7.815
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 68 and name HB1 ))
)
5.000 5.000 0.000 peak 9076 weight 0.10000E+01 volume 0.34900E+00 ppm1 -0.619 ppm2 1.672
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 68 and name HB2 ))
)
5.000 5.000 0.000 peak 9077 weight 0.10000E+01 volume 0.40600E+00 ppm1 -0.618 ppm2 1.329
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 68 and name HD1 ))
)
6.000 6.000 0.000 peak 9074 weight 0.10000E+01 volume 0.19900E+00 ppm1 -0.620 ppm2 3.211
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 68 and name HD2 ))
)
6.000 6.000 0.000 peak 9075 weight 0.10000E+01 volume 0.21300E+00 ppm1 -0.620 ppm2 2.471
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)
5.000 5.000 0.000 peak 5634 weight 0.10000E+01 volume 0.94400E+00 ppm1 -0.617 ppm2 0.686
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 87 and name HA ))
)
6.000 6.000 0.000 peak 9070 weight 0.10000E+01 volume 0.88000E-01 ppm1 -0.621 ppm2 5.570
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 88 and name HA ))
)
6.000 6.000 0.000 peak 9071 weight 0.10000E+01 volume 0.19300E+00 ppm1 -0.621 ppm2 4.701
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 88 and name HG12))
)
5.000 5.000 0.000 peak 9080 weight 0.10000E+01 volume 0.12110E+01 ppm1 -0.619 ppm2 0.261
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)
2.700 2.700 0.000 peak 8825 weight 0.10000E+01 volume 0.52230E+01 ppm1 -0.621 ppm2 0.491
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 89 and name HN ))
)
6.000 6.000 0.000 peak 9061 weight 0.10000E+01 volume 0.17300E+00 ppm1 -0.621 ppm2 7.821
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
6.000 6.000 0.000 peak 9065 weight 0.10000E+01 volume 0.26200E+00 ppm1 -0.620 ppm2 7.024
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)
5.000 5.000 0.000 peak 9069 weight 0.10000E+01 volume 0.12070E+01 ppm1 -0.620 ppm2 6.675
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 90 and name HZ ))
)
3.300 3.300 0.000 peak 9066 weight 0.10000E+01 volume 0.17620E+01 ppm1 -0.619 ppm2 6.724
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 104 and name HB1 ))
)
5.000 5.000 0.000 peak 5316 weight 0.10000E+01 volume 0.30400E+00 ppm1 -0.620 ppm2 3.888
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 104 and name HB2 ))
)
5.000 5.000 0.000 peak 5314 weight 0.10000E+01 volume 0.50400E+00 ppm1 -0.621 ppm2 3.472
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 104 and name HN ))
)
6.000 6.000 0.000 peak 7166 weight 0.10000E+01 volume 0.15700E+00 ppm1 -0.621 ppm2 8.055
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 115 and name HE1 ))
)
6.000 6.000 0.000 peak 9059 weight 0.10000E+01 volume 0.89000E-01 ppm1 -0.619 ppm2 10.496
ASSI (
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)(
(( segid " " and resid 115 and name HZ2 ))
)
6.000 6.000 0.000 peak 9064 weight 0.10000E+01 volume 0.21600E+00 ppm1 -0.620 ppm2 7.177
ASSI (
(( segid " " and resid 88 and name HG11))
)(
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)
5.000 5.000 0.000 peak 9044 weight 0.10000E+01 volume 0.74800E+00 ppm1 0.423 ppm2 -0.607
ASSI (
(( segid " " and resid 88 and name HG11))
)(
(( segid " " and resid 88 and name HN ))
)
5.000 5.000 0.000 peak 6927 weight 0.10000E+01 volume 0.13010E+01 ppm1 0.424 ppm2 8.806
ASSI (
(( segid " " and resid 88 and name HG12))
)(
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)
5.000 5.000 0.000 peak 5666 weight 0.10000E+01 volume 0.11260E+01 ppm1 0.241 ppm2 0.450
ASSI (
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)(
(( segid " " and resid 78 and name HA ))
)
5.000 5.000 0.000 peak 5050 weight 0.10000E+01 volume 0.10960E+01 ppm1 0.484 ppm2 4.060
ASSI (
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)(
(( segid " " and resid 87 and name HE22))
)
5.000 5.000 0.000 peak 9050 weight 0.10000E+01 volume 0.11590E+01 ppm1 0.483 ppm2 6.791
ASSI (
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)(
(( segid " " and resid 88 and name HA ))
)
3.300 3.300 0.000 peak 9051 weight 0.10000E+01 volume 0.17620E+01 ppm1 0.482 ppm2 4.699
ASSI (
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)(
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)
3.300 3.300 0.000 peak 9058 weight 0.10000E+01 volume 0.22350E+01 ppm1 0.484 ppm2 -0.604
ASSI (
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)(
(( segid " " and resid 88 and name HN ))
)
5.000 5.000 0.000 peak 9046 weight 0.10000E+01 volume 0.52900E+00 ppm1 0.484 ppm2 8.815
ASSI (
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)(
(( segid " " and resid 89 and name HN ))
)
5.000 5.000 0.000 peak 5828 weight 0.10000E+01 volume 0.96800E+00 ppm1 0.484 ppm2 7.831
ASSI (
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)(
(( segid " " and resid 115 and name HZ2 ))
)
6.000 6.000 0.000 peak 9048 weight 0.10000E+01 volume 0.29800E+00 ppm1 0.483 ppm2 7.167
ASSI (
(( segid " " and resid 89 and name HA ))
)(
(( segid " " and resid 89 and name HN ))
)
5.000 5.000 0.000 peak 9082 weight 0.10000E+01 volume 0.41700E+00 ppm1 4.792 ppm2 7.819
ASSI (
(( segid " " and resid 89 and name HA ))
)(
(( segid " " and resid 90 and name HN ))
)
3.300 3.300 0.000 peak 9081 weight 0.10000E+01 volume 0.22490E+01 ppm1 4.793 ppm2 8.382
ASSI (
(( segid " " and resid 89 and name HA ))
)(
(( segid " " and resid 90 and name HZ ))
)
6.000 6.000 0.000 peak 9083 weight 0.10000E+01 volume 0.16600E+00 ppm1 4.791 ppm2 6.718
ASSI (
(( segid " " and resid 89 and name HB1 ))
)(
(( segid " " and resid 89 and name HA ))
)
5.000 5.000 0.000 peak 9088 weight 0.10000E+01 volume 0.12390E+01 ppm1 1.919 ppm2 4.794
ASSI (
(( segid " " and resid 89 and name HB1 ))
)(
(( segid " " and resid 89 and name HN ))
)
3.300 3.300 0.000 peak 9086 weight 0.10000E+01 volume 0.22710E+01 ppm1 1.920 ppm2 7.819
ASSI (
(( segid " " and resid 89 and name HB1 ))
)(
(( segid " " and resid 90 and name HN ))
)
3.300 3.300 0.000 peak 9084 weight 0.10000E+01 volume 0.22620E+01 ppm1 1.922 ppm2 8.381
ASSI (
(( segid " " and resid 89 and name HB2 ))
)(
(( segid " " and resid 89 and name HA ))
)
5.000 5.000 0.000 peak 9089 weight 0.10000E+01 volume 0.63500E+00 ppm1 1.680 ppm2 4.794
ASSI (
(( segid " " and resid 89 and name HB2 ))
)(
(( segid " " and resid 89 and name HN ))
)
5.000 5.000 0.000 peak 9087 weight 0.10000E+01 volume 0.50500E+00 ppm1 1.684 ppm2 7.817
ASSI (
(( segid " " and resid 89 and name HB2 ))
)(
(( segid " " and resid 90 and name HN ))
)
5.000 5.000 0.000 peak 9085 weight 0.10000E+01 volume 0.43900E+00 ppm1 1.678 ppm2 8.380
ASSI (
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HG1 ))
)(
(( segid " " and resid 87 and name HE21))
)
5.000 5.000 0.000 peak 9092 weight 0.10000E+01 volume 0.62600E+00 ppm1 2.122 ppm2 7.538
ASSI (
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HG1 ))
)(
(( segid " " and resid 89 and name HA ))
)
5.000 5.000 0.000 peak 9093 weight 0.10000E+01 volume 0.95400E+00 ppm1 2.122 ppm2 4.793
ASSI (
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HG1 ))
)(
(( segid " " and resid 89 and name HN ))
)
5.000 5.000 0.000 peak 9091 weight 0.10000E+01 volume 0.79900E+00 ppm1 2.122 ppm2 7.819
ASSI (
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HG1 ))
)(
(( segid " " and resid 103 and name HG23))
OR
(( segid " " and resid 103 and name HG22))
OR
(( segid " " and resid 103 and name HG21))
)
3.300 3.300 0.000 peak 5713 weight 0.10000E+01 volume 0.15930E+01 ppm1 2.122 ppm2 1.069
ASSI (
(( segid " " and resid 89 and name HG2 ))
)(
(( segid " " and resid 90 and name HN ))
)
5.000 5.000 0.000 peak 9090 weight 0.10000E+01 volume 0.90100E+00 ppm1 2.120 ppm2 8.380
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 71 and name HG ))
)
6.000 6.000 0.000 peak 5074 weight 0.10000E+01 volume 0.21300E+00 ppm1 5.402 ppm2 0.991
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 89 and name HG2 ))
)
6.000 6.000 0.000 peak 5073 weight 0.10000E+01 volume 0.15400E+00 ppm1 5.402 ppm2 2.103
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 90 and name HB1 ))
)
5.000 5.000 0.000 peak 9095 weight 0.10000E+01 volume 0.61000E+00 ppm1 5.404 ppm2 2.775
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 90 and name HB2 ))
)
5.000 5.000 0.000 peak 9096 weight 0.10000E+01 volume 0.41800E+00 ppm1 5.401 ppm2 2.543
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
5.000 5.000 0.000 peak 9094 weight 0.10000E+01 volume 0.80400E+00 ppm1 5.402 ppm2 7.024
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 90 and name HN ))
)
5.000 5.000 0.000 peak 5717 weight 0.10000E+01 volume 0.30600E+00 ppm1 5.402 ppm2 8.389
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)
5.000 5.000 0.000 peak 5078 weight 0.10000E+01 volume 0.56000E+00 ppm1 5.402 ppm2 0.636
ASSI (
(( segid " " and resid 90 and name HB1 ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
5.000 5.000 0.000 peak 7432 weight 0.10000E+01 volume 0.74800E+00 ppm1 2.767 ppm2 7.022
ASSI (
(( segid " " and resid 90 and name HB1 ))
)(
(( segid " " and resid 90 and name HN ))
)
6.000 6.000 0.000 peak 9097 weight 0.10000E+01 volume 0.19500E+00 ppm1 2.765 ppm2 8.383
ASSI (
(( segid " " and resid 90 and name HB2 ))
)(
(( segid " " and resid 90 and name HB1 ))
)
3.300 3.300 0.000 peak 9103 weight 0.10000E+01 volume 0.15390E+01 ppm1 2.537 ppm2 2.781
ASSI (
(( segid " " and resid 90 and name HB2 ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
5.000 5.000 0.000 peak 7433 weight 0.10000E+01 volume 0.89400E+00 ppm1 2.535 ppm2 7.021
ASSI (
(( segid " " and resid 90 and name HB2 ))
)(
(( segid " " and resid 102 and name HA ))
)
5.000 5.000 0.000 peak 5095 weight 0.10000E+01 volume 0.30400E+00 ppm1 2.537 ppm2 4.296
ASSI (
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)(
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
)
5.000 5.000 0.000 peak 8809 weight 0.10000E+01 volume 0.50800E+00 ppm1 7.011 ppm2 0.995
ASSI (
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)(
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)
5.000 5.000 0.000 peak 7437 weight 0.10000E+01 volume 0.10310E+01 ppm1 7.011 ppm2 6.694
ASSI (
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
5.000 5.000 0.000 peak 7476 weight 0.10000E+01 volume 0.13730E+01 ppm1 6.673 ppm2 7.025
ASSI (
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)(
(( segid " " and resid 104 and name HB1 ))
)
5.000 5.000 0.000 peak 9108 weight 0.10000E+01 volume 0.40300E+00 ppm1 6.673 ppm2 3.879
ASSI (
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)(
(( segid " " and resid 104 and name HB2 ))
)
5.000 5.000 0.000 peak 9110 weight 0.10000E+01 volume 0.34400E+00 ppm1 6.672 ppm2 3.466
ASSI (
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)(
(( segid " " and resid 120 and name HD1 ))
)
6.000 6.000 0.000 peak 9114 weight 0.10000E+01 volume 0.18600E+00 ppm1 6.672 ppm2 2.188
ASSI (
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)(
(( segid " " and resid 120 and name HD2 ))
)
5.000 5.000 0.000 peak 9113 weight 0.10000E+01 volume 0.37000E+00 ppm1 6.673 ppm2 2.045
ASSI (
(( segid " " and resid 90 and name HZ ))
)(
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)
5.000 5.000 0.000 peak 9116 weight 0.10000E+01 volume 0.30900E+00 ppm1 6.722 ppm2 0.484
ASSI (
(( segid " " and resid 90 and name HZ ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
6.000 6.000 0.000 peak 7484 weight 0.10000E+01 volume 0.27400E+00 ppm1 6.723 ppm2 7.023
ASSI (
(( segid " " and resid 91 and name HB2 ))
OR
(( segid " " and resid 91 and name HB1 ))
)(
(( segid " " and resid 91 and name HA ))
)
3.300 3.300 0.000 peak 5079 weight 0.10000E+01 volume 0.22190E+01 ppm1 3.766 ppm2 4.512
ASSI (
(( segid " " and resid 91 and name HB2 ))
OR
(( segid " " and resid 91 and name HB1 ))
)(
(( segid " " and resid 91 and name HG ))
)
5.000 5.000 0.000 peak 9117 weight 0.10000E+01 volume 0.30800E+00 ppm1 3.766 ppm2 4.645
ASSI (
(( segid " " and resid 91 and name HB2 ))
OR
(( segid " " and resid 91 and name HB1 ))
)(
(( segid " " and resid 91 and name HN ))
)
5.000 5.000 0.000 peak 6957 weight 0.10000E+01 volume 0.38800E+00 ppm1 3.765 ppm2 8.249
ASSI (
(( segid " " and resid 92 and name HA ))
)(
(( segid " " and resid 92 and name HB1 ))
)
5.000 5.000 0.000 peak 9122 weight 0.10000E+01 volume 0.71100E+00 ppm1 5.250 ppm2 2.959
ASSI (
(( segid " " and resid 92 and name HA ))
)(
(( segid " " and resid 92 and name HB2 ))
)
5.000 5.000 0.000 peak 9123 weight 0.10000E+01 volume 0.13170E+01 ppm1 5.254 ppm2 2.439
ASSI (
(( segid " " and resid 92 and name HA ))
)(
(( segid " " and resid 92 and name HN ))
)
5.000 5.000 0.000 peak 6982 weight 0.10000E+01 volume 0.59200E+00 ppm1 5.251 ppm2 8.715
ASSI (
(( segid " " and resid 92 and name HA ))
)(
(( segid " " and resid 93 and name HB2 ))
)
6.000 6.000 0.000 peak 9119 weight 0.10000E+01 volume 0.21500E+00 ppm1 5.248 ppm2 3.536
ASSI (
(( segid " " and resid 92 and name HA ))
)(
(( segid " " and resid 93 and name HN ))
)
3.300 3.300 0.000 peak 7003 weight 0.10000E+01 volume 0.16370E+01 ppm1 5.249 ppm2 8.875
ASSI (
(( segid " " and resid 92 and name HA ))
)(
(( segid " " and resid 96 and name HB1 ))
)
5.000 5.000 0.000 peak 9120 weight 0.10000E+01 volume 0.43800E+00 ppm1 5.250 ppm2 3.223
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 119 and name HB1 ))
)
5.000 5.000 0.000 peak 9551 weight 0.10000E+01 volume 0.60500E+00 ppm1 3.349 ppm2 1.348
ASSI (
(( segid " " and resid 92 and name HB1 ))
)(
(( segid " " and resid 92 and name HN ))
)
5.000 5.000 0.000 peak 6974 weight 0.10000E+01 volume 0.66700E+00 ppm1 2.951 ppm2 8.714
ASSI (
(( segid " " and resid 92 and name HB1 ))
)(
(( segid " " and resid 93 and name HN ))
)
5.000 5.000 0.000 peak 6992 weight 0.10000E+01 volume 0.34000E+00 ppm1 2.952 ppm2 8.887
ASSI (
(( segid " " and resid 92 and name HB2 ))
)(
(( segid " " and resid 92 and name HN ))
)
5.000 5.000 0.000 peak 6972 weight 0.10000E+01 volume 0.91800E+00 ppm1 2.422 ppm2 8.713
ASSI (
(( segid " " and resid 92 and name HB2 ))
)(
(( segid " " and resid 93 and name HN ))
)
5.000 5.000 0.000 peak 6990 weight 0.10000E+01 volume 0.32800E+00 ppm1 2.420 ppm2 8.888
ASSI (
(( segid " " and resid 92 and name HB2 ))
)(
(( segid " " and resid 122 and name HN ))
)
6.000 6.000 0.000 peak 7357 weight 0.10000E+01 volume 0.22900E+00 ppm1 2.422 ppm2 8.772
ASSI (
(( segid " " and resid 93 and name HA ))
)(
(( segid " " and resid 93 and name HB1 ))
)
3.300 3.300 0.000 peak 9130 weight 0.10000E+01 volume 0.27580E+01 ppm1 4.279 ppm2 3.972
ASSI (
(( segid " " and resid 93 and name HA ))
)(
(( segid " " and resid 93 and name HB2 ))
)
5.000 5.000 0.000 peak 9131 weight 0.10000E+01 volume 0.13000E+01 ppm1 4.278 ppm2 3.546
ASSI (
(( segid " " and resid 93 and name HA ))
)(
(( segid " " and resid 93 and name HN ))
)
5.000 5.000 0.000 peak 9129 weight 0.10000E+01 volume 0.97100E+00 ppm1 4.277 ppm2 8.898
ASSI (
(( segid " " and resid 93 and name HA ))
)(
(( segid " " and resid 94 and name HB1 ))
)
5.000 5.000 0.000 peak 5082 weight 0.10000E+01 volume 0.94100E+00 ppm1 4.280 ppm2 2.047
ASSI (
(( segid " " and resid 93 and name HA ))
)(
(( segid " " and resid 94 and name HB2 ))
)
5.000 5.000 0.000 peak 9133 weight 0.10000E+01 volume 0.11120E+01 ppm1 4.279 ppm2 1.954
ASSI (
(( segid " " and resid 93 and name HA ))
)(
(( segid " " and resid 94 and name HG2 ))
OR
(( segid " " and resid 94 and name HG1 ))
)
6.000 6.000 0.000 peak 9132 weight 0.10000E+01 volume 0.25100E+00 ppm1 4.279 ppm2 2.328
ASSI (
(( segid " " and resid 93 and name HA ))
)(
(( segid " " and resid 94 and name HN ))
)
2.700 2.700 0.000 peak 5918 weight 0.10000E+01 volume 0.55940E+01 ppm1 4.280 ppm2 8.432
ASSI (
(( segid " " and resid 93 and name HB1 ))
)(
(( segid " " and resid 92 and name HA ))
)
6.000 6.000 0.000 peak 9140 weight 0.10000E+01 volume 0.14500E+00 ppm1 3.954 ppm2 5.266
ASSI (
(( segid " " and resid 93 and name HB1 ))
)(
(( segid " " and resid 93 and name HB2 ))
)
2.700 2.700 0.000 peak 9145 weight 0.10000E+01 volume 0.55250E+01 ppm1 3.952 ppm2 3.540
ASSI (
(( segid " " and resid 93 and name HB1 ))
)(
(( segid " " and resid 93 and name HN ))
)
5.000 5.000 0.000 peak 9134 weight 0.10000E+01 volume 0.76400E+00 ppm1 3.953 ppm2 8.893
ASSI (
(( segid " " and resid 93 and name HB1 ))
)(
(( segid " " and resid 94 and name HN ))
)
3.300 3.300 0.000 peak 9135 weight 0.10000E+01 volume 0.16650E+01 ppm1 3.953 ppm2 8.429
ASSI (
(( segid " " and resid 93 and name HB1 ))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)
5.000 5.000 0.000 peak 9138 weight 0.10000E+01 volume 0.48800E+00 ppm1 3.954 ppm2 6.717
ASSI (
(( segid " " and resid 93 and name HB1 ))
)(
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)
6.000 6.000 0.000 peak 9136 weight 0.10000E+01 volume 0.21600E+00 ppm1 3.953 ppm2 7.134
ASSI (
(( segid " " and resid 93 and name HB2 ))
)(
(( segid " " and resid 93 and name HN ))
)
5.000 5.000 0.000 peak 6995 weight 0.10000E+01 volume 0.11170E+01 ppm1 3.529 ppm2 8.890
ASSI (
(( segid " " and resid 93 and name HB2 ))
)(
(( segid " " and resid 94 and name HN ))
)
5.000 5.000 0.000 peak 7011 weight 0.10000E+01 volume 0.79900E+00 ppm1 3.526 ppm2 8.430
ASSI (
(( segid " " and resid 93 and name HB2 ))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)
5.000 5.000 0.000 peak 9139 weight 0.10000E+01 volume 0.70000E+00 ppm1 3.526 ppm2 6.718
ASSI (
(( segid " " and resid 93 and name HB2 ))
)(
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)
6.000 6.000 0.000 peak 9137 weight 0.10000E+01 volume 0.28100E+00 ppm1 3.525 ppm2 7.134
ASSI (
(( segid " " and resid 94 and name HA ))
)(
(( segid " " and resid 94 and name HG2 ))
OR
(( segid " " and resid 94 and name HG1 ))
)
5.000 5.000 0.000 peak 9149 weight 0.10000E+01 volume 0.73500E+00 ppm1 4.130 ppm2 2.329
ASSI (
(( segid " " and resid 94 and name HA ))
)(
(( segid " " and resid 94 and name HN ))
)
5.000 5.000 0.000 peak 9147 weight 0.10000E+01 volume 0.69000E+00 ppm1 4.130 ppm2 8.438
ASSI (
(( segid " " and resid 94 and name HA ))
)(
(( segid " " and resid 95 and name HA2 ))
)
5.000 5.000 0.000 peak 5083 weight 0.10000E+01 volume 0.35100E+00 ppm1 4.129 ppm2 3.424
ASSI (
(( segid " " and resid 94 and name HA ))
)(
(( segid " " and resid 95 and name HN ))
)
3.300 3.300 0.000 peak 9146 weight 0.10000E+01 volume 0.27610E+01 ppm1 4.130 ppm2 8.883
ASSI (
(( segid " " and resid 94 and name HA ))
)(
(( segid " " and resid 96 and name HN ))
)
5.000 5.000 0.000 peak 9148 weight 0.10000E+01 volume 0.54600E+00 ppm1 4.130 ppm2 8.172
ASSI (
(( segid " " and resid 94 and name HB1 ))
)(
(( segid " " and resid 93 and name HB1 ))
)
5.000 5.000 0.000 peak 9160 weight 0.10000E+01 volume 0.34100E+00 ppm1 2.032 ppm2 3.972
ASSI (
(( segid " " and resid 94 and name HB1 ))
)(
(( segid " " and resid 94 and name HA ))
)
3.300 3.300 0.000 peak 9156 weight 0.10000E+01 volume 0.23760E+01 ppm1 2.031 ppm2 4.133
ASSI (
(( segid " " and resid 94 and name HB1 ))
)(
(( segid " " and resid 94 and name HG2 ))
OR
(( segid " " and resid 94 and name HG1 ))
)
2.700 2.700 0.000 peak 9162 weight 0.10000E+01 volume 0.39080E+01 ppm1 2.032 ppm2 2.326
ASSI (
(( segid " " and resid 94 and name HB1 ))
)(
(( segid " " and resid 94 and name HN ))
)
2.700 2.700 0.000 peak 9152 weight 0.10000E+01 volume 0.36160E+01 ppm1 2.031 ppm2 8.430
ASSI (
(( segid " " and resid 94 and name HB1 ))
)(
(( segid " " and resid 95 and name HN ))
)
5.000 5.000 0.000 peak 7018 weight 0.10000E+01 volume 0.55000E+00 ppm1 2.030 ppm2 8.880
ASSI (
(( segid " " and resid 94 and name HB2 ))
)(
(( segid " " and resid 93 and name HB1 ))
)
5.000 5.000 0.000 peak 9161 weight 0.10000E+01 volume 0.32200E+00 ppm1 1.939 ppm2 3.973
ASSI (
(( segid " " and resid 94 and name HB2 ))
)(
(( segid " " and resid 94 and name HA ))
)
3.300 3.300 0.000 peak 9158 weight 0.10000E+01 volume 0.22860E+01 ppm1 1.938 ppm2 4.133
ASSI (
(( segid " " and resid 94 and name HB2 ))
)(
(( segid " " and resid 94 and name HG2 ))
OR
(( segid " " and resid 94 and name HG1 ))
)
2.700 2.700 0.000 peak 9163 weight 0.10000E+01 volume 0.38460E+01 ppm1 1.938 ppm2 2.326
ASSI (
(( segid " " and resid 94 and name HB2 ))
)(
(( segid " " and resid 94 and name HN ))
)
2.700 2.700 0.000 peak 9153 weight 0.10000E+01 volume 0.35050E+01 ppm1 1.937 ppm2 8.430
ASSI (
(( segid " " and resid 94 and name HB2 ))
)(
(( segid " " and resid 95 and name HN ))
)
5.000 5.000 0.000 peak 7017 weight 0.10000E+01 volume 0.50800E+00 ppm1 1.938 ppm2 8.880
ASSI (
(( segid " " and resid 94 and name HG2 ))
OR
(( segid " " and resid 94 and name HG1 ))
)(
(( segid " " and resid 93 and name HB1 ))
)
5.000 5.000 0.000 peak 9168 weight 0.10000E+01 volume 0.38300E+00 ppm1 2.312 ppm2 3.972
ASSI (
(( segid " " and resid 94 and name HG2 ))
OR
(( segid " " and resid 94 and name HG1 ))
)(
(( segid " " and resid 94 and name HN ))
)
5.000 5.000 0.000 peak 9164 weight 0.10000E+01 volume 0.64400E+00 ppm1 2.311 ppm2 8.432
ASSI (
(( segid " " and resid 94 and name HG2 ))
OR
(( segid " " and resid 94 and name HG1 ))
)(
(( segid " " and resid 95 and name HA2 ))
)
6.000 6.000 0.000 peak 9169 weight 0.10000E+01 volume 0.15700E+00 ppm1 2.312 ppm2 3.433
ASSI (
(( segid " " and resid 94 and name HG2 ))
OR
(( segid " " and resid 94 and name HG1 ))
)(
(( segid " " and resid 95 and name HN ))
)
5.000 5.000 0.000 peak 7021 weight 0.10000E+01 volume 0.67700E+00 ppm1 2.311 ppm2 8.882
ASSI (
(( segid " " and resid 95 and name HA1 ))
)(
(( segid " " and resid 94 and name HG2 ))
OR
(( segid " " and resid 94 and name HG1 ))
)
6.000 6.000 0.000 peak 9174 weight 0.10000E+01 volume 0.16200E+00 ppm1 4.148 ppm2 2.327
ASSI (
(( segid " " and resid 95 and name HA1 ))
)(
(( segid " " and resid 95 and name HA2 ))
)
2.700 2.700 0.000 peak 9173 weight 0.10000E+01 volume 0.54750E+01 ppm1 4.148 ppm2 3.420
ASSI (
(( segid " " and resid 95 and name HA1 ))
)(
(( segid " " and resid 95 and name HN ))
)
5.000 5.000 0.000 peak 7025 weight 0.10000E+01 volume 0.13310E+01 ppm1 4.150 ppm2 8.880
ASSI (
(( segid " " and resid 95 and name HA1 ))
)(
(( segid " " and resid 125 and name HB2 ))
OR
(( segid " " and resid 125 and name HB1 ))
)
6.000 6.000 0.000 peak 9178 weight 0.10000E+01 volume 0.13600E+00 ppm1 4.145 ppm2 1.293
ASSI (
(( segid " " and resid 95 and name HA1 ))
)(
(( segid " " and resid 125 and name HD13))
OR
(( segid " " and resid 125 and name HD12))
OR
(( segid " " and resid 125 and name HD11))
)
6.000 6.000 0.000 peak 9175 weight 0.10000E+01 volume 0.29500E+00 ppm1 4.149 ppm2 0.639
ASSI (
(( segid " " and resid 95 and name HA2 ))
)(
(( segid " " and resid 95 and name HN ))
)
3.300 3.300 0.000 peak 7023 weight 0.10000E+01 volume 0.16050E+01 ppm1 3.407 ppm2 8.880
ASSI (
(( segid " " and resid 95 and name HA2 ))
)(
(( segid " " and resid 96 and name HN ))
)
5.000 5.000 0.000 peak 9171 weight 0.10000E+01 volume 0.60700E+00 ppm1 3.406 ppm2 8.178
ASSI (
(( segid " " and resid 95 and name HA2 ))
)(
(( segid " " and resid 125 and name HB2 ))
OR
(( segid " " and resid 125 and name HB1 ))
)
6.000 6.000 0.000 peak 9179 weight 0.10000E+01 volume 0.13400E+00 ppm1 3.406 ppm2 1.293
ASSI (
(( segid " " and resid 95 and name HA2 ))
)(
(( segid " " and resid 125 and name HD13))
OR
(( segid " " and resid 125 and name HD12))
OR
(( segid " " and resid 125 and name HD11))
)
5.000 5.000 0.000 peak 9176 weight 0.10000E+01 volume 0.36500E+00 ppm1 3.407 ppm2 0.640
ASSI (
(( segid " " and resid 96 and name HA ))
)(
(( segid " " and resid 96 and name HB1 ))
)
5.000 5.000 0.000 peak 9183 weight 0.10000E+01 volume 0.12580E+01 ppm1 5.069 ppm2 3.231
ASSI (
(( segid " " and resid 96 and name HA ))
)(
(( segid " " and resid 96 and name HB2 ))
)
5.000 5.000 0.000 peak 9184 weight 0.10000E+01 volume 0.93500E+00 ppm1 5.069 ppm2 2.496
ASSI (
(( segid " " and resid 96 and name HA ))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)
5.000 5.000 0.000 peak 9182 weight 0.10000E+01 volume 0.92100E+00 ppm1 5.067 ppm2 6.717
ASSI (
(( segid " " and resid 96 and name HA ))
)(
(( segid " " and resid 96 and name HN ))
)
5.000 5.000 0.000 peak 7040 weight 0.10000E+01 volume 0.54900E+00 ppm1 5.069 ppm2 8.166
ASSI (
(( segid " " and resid 96 and name HA ))
)(
(( segid " " and resid 124 and name HA ))
)
5.000 5.000 0.000 peak 5084 weight 0.10000E+01 volume 0.14980E+01 ppm1 5.069 ppm2 3.600
ASSI (
(( segid " " and resid 96 and name HA ))
)(
(( segid " " and resid 124 and name HG23))
OR
(( segid " " and resid 124 and name HG22))
OR
(( segid " " and resid 124 and name HG21))
)
5.000 5.000 0.000 peak 9187 weight 0.10000E+01 volume 0.36200E+00 ppm1 5.069 ppm2 0.654
ASSI (
(( segid " " and resid 96 and name HA ))
)(
(( segid " " and resid 125 and name HB2 ))
OR
(( segid " " and resid 125 and name HB1 ))
)
5.000 5.000 0.000 peak 9185 weight 0.10000E+01 volume 0.57000E+00 ppm1 5.069 ppm2 1.286
ASSI (
(( segid " " and resid 96 and name HA ))
)(
(( segid " " and resid 125 and name HN ))
)
3.300 3.300 0.000 peak 9180 weight 0.10000E+01 volume 0.21320E+01 ppm1 5.068 ppm2 7.818
ASSI (
(( segid " " and resid 96 and name HB1 ))
)(
(( segid " " and resid 96 and name HB2 ))
)
5.000 5.000 0.000 peak 9194 weight 0.10000E+01 volume 0.11260E+01 ppm1 3.217 ppm2 2.499
ASSI (
(( segid " " and resid 96 and name HB1 ))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)
5.000 5.000 0.000 peak 7438 weight 0.10000E+01 volume 0.44300E+00 ppm1 3.214 ppm2 6.718
ASSI (
(( segid " " and resid 96 and name HB1 ))
)(
(( segid " " and resid 96 and name HN ))
)
5.000 5.000 0.000 peak 7036 weight 0.10000E+01 volume 0.42500E+00 ppm1 3.219 ppm2 8.171
ASSI (
(( segid " " and resid 96 and name HB2 ))
)(
(( segid " " and resid 92 and name HA ))
)
6.000 6.000 0.000 peak 9190 weight 0.10000E+01 volume 0.15900E+00 ppm1 2.498 ppm2 5.273
ASSI (
(( segid " " and resid 96 and name HB2 ))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)
5.000 5.000 0.000 peak 7439 weight 0.10000E+01 volume 0.48800E+00 ppm1 2.498 ppm2 6.719
ASSI (
(( segid " " and resid 96 and name HB2 ))
)(
(( segid " " and resid 97 and name HN ))
)
5.000 5.000 0.000 peak 7052 weight 0.10000E+01 volume 0.49500E+00 ppm1 2.496 ppm2 9.715
ASSI (
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)(
(( segid " " and resid 95 and name HA1 ))
)
6.000 6.000 0.000 peak 9202 weight 0.10000E+01 volume 0.16200E+00 ppm1 6.702 ppm2 4.159
ASSI (
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)(
(( segid " " and resid 95 and name HN ))
)
6.000 6.000 0.000 peak 7005 weight 0.10000E+01 volume 0.11700E+00 ppm1 6.703 ppm2 8.888
ASSI (
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)(
(( segid " " and resid 96 and name HN ))
)
5.000 5.000 0.000 peak 6897 weight 0.10000E+01 volume 0.45000E+00 ppm1 6.705 ppm2 8.170
ASSI (
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)(
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)
6.000 6.000 0.000 peak 9199 weight 0.10000E+01 volume 0.24100E+00 ppm1 6.705 ppm2 6.989
ASSI (
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)(
(( segid " " and resid 123 and name HN ))
)
6.000 6.000 0.000 peak 9195 weight 0.10000E+01 volume 0.13500E+00 ppm1 6.704 ppm2 9.089
ASSI (
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)(
(( segid " " and resid 124 and name HA ))
)
5.000 5.000 0.000 peak 9205 weight 0.10000E+01 volume 0.78200E+00 ppm1 6.706 ppm2 3.595
ASSI (
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)(
(( segid " " and resid 124 and name HG12))
)
5.000 5.000 0.000 peak 9207 weight 0.10000E+01 volume 0.34800E+00 ppm1 6.704 ppm2 0.833
ASSI (
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)
3.300 3.300 0.000 peak 7444 weight 0.10000E+01 volume 0.15780E+01 ppm1 7.133 ppm2 6.714
ASSI (
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)(
(( segid " " and resid 124 and name HB ))
)
5.000 5.000 0.000 peak 9210 weight 0.10000E+01 volume 0.31800E+00 ppm1 7.134 ppm2 1.533
ASSI (
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)(
(( segid " " and resid 124 and name HD13))
OR
(( segid " " and resid 124 and name HD12))
OR
(( segid " " and resid 124 and name HD11))
)
5.000 5.000 0.000 peak 9215 weight 0.10000E+01 volume 0.31700E+00 ppm1 7.133 ppm2 0.593
ASSI (
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)(
(( segid " " and resid 124 and name HG11))
)
5.000 5.000 0.000 peak 9212 weight 0.10000E+01 volume 0.39700E+00 ppm1 7.134 ppm2 1.109
ASSI (
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)(
(( segid " " and resid 124 and name HG12))
)
5.000 5.000 0.000 peak 9213 weight 0.10000E+01 volume 0.67800E+00 ppm1 7.133 ppm2 0.829
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 97 and name HB1 ))
)
3.300 3.300 0.000 peak 7446 weight 0.10000E+01 volume 0.21570E+01 ppm1 4.840 ppm2 2.914
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 97 and name HB2 ))
)
3.300 3.300 0.000 peak 7447 weight 0.10000E+01 volume 0.17840E+01 ppm1 4.841 ppm2 2.856
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)
6.000 6.000 0.000 peak 9217 weight 0.10000E+01 volume 0.10000E-01 ppm1 4.842 ppm2 7.021
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 97 and name HN ))
)
3.300 3.300 0.000 peak 7060 weight 0.10000E+01 volume 0.16740E+01 ppm1 4.846 ppm2 9.717
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)
6.000 6.000 0.000 peak 9221 weight 0.10000E+01 volume 0.95000E-01 ppm1 4.840 ppm2 0.408
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 98 and name HN ))
)
2.700 2.700 0.000 peak 7088 weight 0.10000E+01 volume 0.31960E+01 ppm1 4.842 ppm2 8.007
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 99 and name HN ))
)
6.000 6.000 0.000 peak 9216 weight 0.10000E+01 volume 0.20200E+00 ppm1 4.847 ppm2 9.105
ASSI (
(( segid " " and resid 97 and name HB1 ))
)(
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)
3.300 3.300 0.000 peak 7450 weight 0.10000E+01 volume 0.16410E+01 ppm1 2.910 ppm2 7.019
ASSI (
(( segid " " and resid 97 and name HB1 ))
)(
(( segid " " and resid 97 and name HN ))
)
5.000 5.000 0.000 peak 7054 weight 0.10000E+01 volume 0.77300E+00 ppm1 2.910 ppm2 9.715
ASSI (
(( segid " " and resid 97 and name HB1 ))
)(
(( segid " " and resid 98 and name HN ))
)
5.000 5.000 0.000 peak 7082 weight 0.10000E+01 volume 0.13330E+01 ppm1 2.910 ppm2 8.008
ASSI (
(( segid " " and resid 97 and name HB1 ))
)(
(( segid " " and resid 125 and name HD23))
OR
(( segid " " and resid 125 and name HD22))
OR
(( segid " " and resid 125 and name HD21))
)
3.300 3.300 0.000 peak 5444 weight 0.10000E+01 volume 0.17730E+01 ppm1 2.909 ppm2 0.666
ASSI (
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)
3.300 3.300 0.000 peak 7451 weight 0.10000E+01 volume 0.15650E+01 ppm1 2.857 ppm2 7.020
ASSI (
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 97 and name HN ))
)
5.000 5.000 0.000 peak 7055 weight 0.10000E+01 volume 0.77200E+00 ppm1 2.855 ppm2 9.717
ASSI (
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 98 and name HN ))
)
5.000 5.000 0.000 peak 7083 weight 0.10000E+01 volume 0.98100E+00 ppm1 2.856 ppm2 8.007
ASSI (
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 125 and name HD23))
OR
(( segid " " and resid 125 and name HD22))
OR
(( segid " " and resid 125 and name HD21))
)
3.300 3.300 0.000 peak 5447 weight 0.10000E+01 volume 0.17560E+01 ppm1 2.855 ppm2 0.666
ASSI (
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)(
(( segid " " and resid 96 and name HA ))
)
6.000 6.000 0.000 peak 6964 weight 0.10000E+01 volume 0.14600E+00 ppm1 7.002 ppm2 5.083
ASSI (
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)(
(( segid " " and resid 97 and name HE2 ))
OR
(( segid " " and resid 97 and name HE1 ))
)
3.300 3.300 0.000 peak 7455 weight 0.10000E+01 volume 0.23420E+01 ppm1 7.002 ppm2 7.166
ASSI (
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)(
(( segid " " and resid 97 and name HN ))
)
5.000 5.000 0.000 peak 7590 weight 0.10000E+01 volume 0.31100E+00 ppm1 7.002 ppm2 9.719
ASSI (
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)(
(( segid " " and resid 98 and name HN ))
)
6.000 6.000 0.000 peak 7090 weight 0.10000E+01 volume 0.11200E+00 ppm1 7.001 ppm2 8.009
ASSI (
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)(
(( segid " " and resid 125 and name HA ))
)
5.000 5.000 0.000 peak 9227 weight 0.10000E+01 volume 0.57700E+00 ppm1 7.001 ppm2 4.194
ASSI (
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)(
(( segid " " and resid 125 and name HB2 ))
OR
(( segid " " and resid 125 and name HB1 ))
)
5.000 5.000 0.000 peak 9229 weight 0.10000E+01 volume 0.50000E+00 ppm1 7.002 ppm2 1.297
ASSI (
(( segid " " and resid 98 and name HA ))
)(
(( segid " " and resid 98 and name HG ))
)
6.000 6.000 0.000 peak 7086 weight 0.10000E+01 volume 0.28300E+00 ppm1 4.548 ppm2 1.108
ASSI (
(( segid " " and resid 98 and name HB1 ))
)(
(( segid " " and resid 97 and name HA ))
)
5.000 5.000 0.000 peak 7389 weight 0.10000E+01 volume 0.43100E+00 ppm1 1.507 ppm2 4.858
ASSI (
(( segid " " and resid 98 and name HB1 ))
)(
(( segid " " and resid 98 and name HA ))
)
5.000 5.000 0.000 peak 5449 weight 0.10000E+01 volume 0.63700E+00 ppm1 1.508 ppm2 4.562
ASSI (
(( segid " " and resid 98 and name HB1 ))
)(
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)
3.300 3.300 0.000 peak 9231 weight 0.10000E+01 volume 0.19340E+01 ppm1 1.503 ppm2 0.644
ASSI (
(( segid " " and resid 98 and name HB1 ))
)(
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)
3.300 3.300 0.000 peak 9233 weight 0.10000E+01 volume 0.15780E+01 ppm1 1.504 ppm2 0.404
ASSI (
(( segid " " and resid 98 and name HB1 ))
)(
(( segid " " and resid 98 and name HG ))
)
5.000 5.000 0.000 peak 5452 weight 0.10000E+01 volume 0.87000E+00 ppm1 1.504 ppm2 1.103
ASSI (
(( segid " " and resid 98 and name HB1 ))
)(
(( segid " " and resid 98 and name HN ))
)
3.300 3.300 0.000 peak 7079 weight 0.10000E+01 volume 0.15530E+01 ppm1 1.504 ppm2 8.004
ASSI (
(( segid " " and resid 98 and name HB2 ))
)(
(( segid " " and resid 98 and name HA ))
)
5.000 5.000 0.000 peak 5450 weight 0.10000E+01 volume 0.67200E+00 ppm1 1.389 ppm2 4.563
ASSI (
(( segid " " and resid 98 and name HB2 ))
)(
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)
3.300 3.300 0.000 peak 9232 weight 0.10000E+01 volume 0.15530E+01 ppm1 1.391 ppm2 0.644
ASSI (
(( segid " " and resid 98 and name HB2 ))
)(
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)
5.000 5.000 0.000 peak 9234 weight 0.10000E+01 volume 0.10620E+01 ppm1 1.391 ppm2 0.405
ASSI (
(( segid " " and resid 98 and name HB2 ))
)(
(( segid " " and resid 98 and name HG ))
)
5.000 5.000 0.000 peak 5451 weight 0.10000E+01 volume 0.67000E+00 ppm1 1.390 ppm2 1.103
ASSI (
(( segid " " and resid 98 and name HB2 ))
)(
(( segid " " and resid 98 and name HN ))
)
3.300 3.300 0.000 peak 7077 weight 0.10000E+01 volume 0.15110E+01 ppm1 1.392 ppm2 8.005
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 90 and name HB1 ))
)
3.300 3.300 0.000 peak 5434 weight 0.10000E+01 volume 0.17830E+01 ppm1 0.642 ppm2 2.780
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 90 and name HB2 ))
)
3.300 3.300 0.000 peak 5436 weight 0.10000E+01 volume 0.16450E+01 ppm1 0.644 ppm2 2.538
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 90 and name HN ))
)
5.000 5.000 0.000 peak 6938 weight 0.10000E+01 volume 0.41900E+00 ppm1 0.638 ppm2 8.376
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 91 and name HB2 ))
OR
(( segid " " and resid 91 and name HB1 ))
)
5.000 5.000 0.000 peak 5721 weight 0.10000E+01 volume 0.53000E+00 ppm1 0.637 ppm2 3.782
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 91 and name HN ))
)
5.000 5.000 0.000 peak 9237 weight 0.10000E+01 volume 0.12560E+01 ppm1 0.638 ppm2 8.243
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 92 and name HB1 ))
)
6.000 6.000 0.000 peak 9244 weight 0.10000E+01 volume 0.29500E+00 ppm1 0.637 ppm2 2.938
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 92 and name HN ))
)
5.000 5.000 0.000 peak 6968 weight 0.10000E+01 volume 0.66800E+00 ppm1 0.640 ppm2 8.715
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 97 and name HA ))
)
6.000 6.000 0.000 peak 9243 weight 0.10000E+01 volume 0.25100E+00 ppm1 0.637 ppm2 4.834
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 98 and name HA ))
)
3.300 3.300 0.000 peak 5723 weight 0.10000E+01 volume 0.17940E+01 ppm1 0.636 ppm2 4.540
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 98 and name HN ))
)
5.000 5.000 0.000 peak 7073 weight 0.10000E+01 volume 0.69300E+00 ppm1 0.637 ppm2 8.004
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 99 and name HN ))
)
5.000 5.000 0.000 peak 7096 weight 0.10000E+01 volume 0.35600E+00 ppm1 0.639 ppm2 9.124
ASSI (
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)(
(( segid " " and resid 102 and name HA ))
)
3.300 3.300 0.000 peak 5722 weight 0.10000E+01 volume 0.23670E+01 ppm1 0.637 ppm2 4.301
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)
5.000 5.000 0.000 peak 9248 weight 0.10000E+01 volume 0.35300E+00 ppm1 0.400 ppm2 7.022
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 98 and name HA ))
)
5.000 5.000 0.000 peak 5729 weight 0.10000E+01 volume 0.11630E+01 ppm1 0.399 ppm2 4.546
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 98 and name HN ))
)
5.000 5.000 0.000 peak 7071 weight 0.10000E+01 volume 0.71400E+00 ppm1 0.402 ppm2 7.995
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 99 and name HN ))
)
5.000 5.000 0.000 peak 7094 weight 0.10000E+01 volume 0.58500E+00 ppm1 0.400 ppm2 9.123
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 100 and name HN ))
)
5.000 5.000 0.000 peak 7116 weight 0.10000E+01 volume 0.57800E+00 ppm1 0.400 ppm2 8.431
ASSI (
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)(
(( segid " " and resid 102 and name HN ))
)
5.000 5.000 0.000 peak 7129 weight 0.10000E+01 volume 0.35600E+00 ppm1 0.400 ppm2 8.205
ASSI (
(( segid " " and resid 98 and name HG ))
)(
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)
5.000 5.000 0.000 peak 9238 weight 0.10000E+01 volume 0.14530E+01 ppm1 1.089 ppm2 0.413
ASSI (
(( segid " " and resid 98 and name HG ))
)(
(( segid " " and resid 98 and name HN ))
)
5.000 5.000 0.000 peak 7075 weight 0.10000E+01 volume 0.43300E+00 ppm1 1.089 ppm2 7.992
ASSI (
(( segid " " and resid 98 and name HG ))
)(
(( segid " " and resid 99 and name HN ))
)
5.000 5.000 0.000 peak 9235 weight 0.10000E+01 volume 0.81200E+00 ppm1 1.088 ppm2 9.132
ASSI (
(( segid " " and resid 99 and name HA ))
)(
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)
5.000 5.000 0.000 peak 5088 weight 0.10000E+01 volume 0.59000E+00 ppm1 4.214 ppm2 0.405
ASSI (
(( segid " " and resid 99 and name HA ))
)(
(( segid " " and resid 99 and name HB ))
)
5.000 5.000 0.000 peak 9254 weight 0.10000E+01 volume 0.60300E+00 ppm1 4.214 ppm2 1.722
ASSI (
(( segid " " and resid 99 and name HA ))
)(
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)
5.000 5.000 0.000 peak 9258 weight 0.10000E+01 volume 0.10950E+01 ppm1 4.214 ppm2 0.696
ASSI (
(( segid " " and resid 99 and name HA ))
)(
(( segid " " and resid 99 and name HG12))
)
3.300 3.300 0.000 peak 9256 weight 0.10000E+01 volume 0.22910E+01 ppm1 4.215 ppm2 1.065
ASSI (
(( segid " " and resid 99 and name HA ))
)(
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG22))
OR
(( segid " " and resid 99 and name HG21))
)
3.300 3.300 0.000 peak 9257 weight 0.10000E+01 volume 0.20470E+01 ppm1 4.214 ppm2 0.826
ASSI (
(( segid " " and resid 99 and name HA ))
)(
(( segid " " and resid 99 and name HN ))
)
5.000 5.000 0.000 peak 7106 weight 0.10000E+01 volume 0.44700E+00 ppm1 4.218 ppm2 9.130
ASSI (
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)(
(( segid " " and resid 97 and name HA ))
)
6.000 6.000 0.000 peak 9280 weight 0.10000E+01 volume 0.13300E+00 ppm1 0.701 ppm2 4.858
ASSI (
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)(
(( segid " " and resid 97 and name HB2 ))
OR
(( segid " " and resid 97 and name HB1 ))
)
6.000 6.000 0.000 peak 9284 weight 0.10000E+01 volume 0.14900E+00 ppm1 0.702 ppm2 2.887
ASSI (
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)(
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)
5.000 5.000 0.000 peak 9278 weight 0.10000E+01 volume 0.55800E+00 ppm1 0.702 ppm2 7.023
ASSI (
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)(
(( segid " " and resid 97 and name HE2 ))
OR
(( segid " " and resid 97 and name HE1 ))
)
3.300 3.300 0.000 peak 9277 weight 0.10000E+01 volume 0.15130E+01 ppm1 0.702 ppm2 7.186
ASSI (
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)(
(( segid " " and resid 99 and name HN ))
)
5.000 5.000 0.000 peak 9275 weight 0.10000E+01 volume 0.57600E+00 ppm1 0.702 ppm2 9.127
ASSI (
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)(
(( segid " " and resid 123 and name HG2 ))
)
5.000 5.000 0.000 peak 5730 weight 0.10000E+01 volume 0.10010E+01 ppm1 0.703 ppm2 2.195
ASSI (
(( segid " " and resid 99 and name HG11))
)(
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)
5.000 5.000 0.000 peak 9264 weight 0.10000E+01 volume 0.67100E+00 ppm1 1.322 ppm2 7.023
ASSI (
(( segid " " and resid 99 and name HG11))
)(
(( segid " " and resid 97 and name HE2 ))
OR
(( segid " " and resid 97 and name HE1 ))
)
5.000 5.000 0.000 peak 9262 weight 0.10000E+01 volume 0.64400E+00 ppm1 1.322 ppm2 7.188
ASSI (
(( segid " " and resid 99 and name HG11))
)(
(( segid " " and resid 99 and name HA ))
)
3.300 3.300 0.000 peak 9266 weight 0.10000E+01 volume 0.18250E+01 ppm1 1.323 ppm2 4.229
ASSI (
(( segid " " and resid 99 and name HG11))
)(
(( segid " " and resid 99 and name HN ))
)
5.000 5.000 0.000 peak 6263 weight 0.10000E+01 volume 0.65400E+00 ppm1 1.322 ppm2 9.122
ASSI (
(( segid " " and resid 99 and name HG11))
)(
(( segid " " and resid 100 and name HN ))
)
5.000 5.000 0.000 peak 9260 weight 0.10000E+01 volume 0.51600E+00 ppm1 1.322 ppm2 8.430
ASSI (
(( segid " " and resid 99 and name HG12))
)(
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)
5.000 5.000 0.000 peak 9265 weight 0.10000E+01 volume 0.38100E+00 ppm1 1.054 ppm2 7.023
ASSI (
(( segid " " and resid 99 and name HG12))
)(
(( segid " " and resid 97 and name HE2 ))
OR
(( segid " " and resid 97 and name HE1 ))
)
5.000 5.000 0.000 peak 9263 weight 0.10000E+01 volume 0.68100E+00 ppm1 1.056 ppm2 7.188
ASSI (
(( segid " " and resid 99 and name HG12))
)(
(( segid " " and resid 99 and name HN ))
)
5.000 5.000 0.000 peak 9259 weight 0.10000E+01 volume 0.44800E+00 ppm1 1.055 ppm2 9.124
ASSI (
(( segid " " and resid 99 and name HG12))
)(
(( segid " " and resid 100 and name HN ))
)
5.000 5.000 0.000 peak 9261 weight 0.10000E+01 volume 0.46900E+00 ppm1 1.057 ppm2 8.430
ASSI (
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG22))
OR
(( segid " " and resid 99 and name HG21))
)(
(( segid " " and resid 97 and name HD2 ))
OR
(( segid " " and resid 97 and name HD1 ))
)
6.000 6.000 0.000 peak 9272 weight 0.10000E+01 volume 0.15500E+00 ppm1 0.805 ppm2 7.021
ASSI (
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG22))
OR
(( segid " " and resid 99 and name HG21))
)(
(( segid " " and resid 97 and name HE2 ))
OR
(( segid " " and resid 97 and name HE1 ))
)
6.000 6.000 0.000 peak 9271 weight 0.10000E+01 volume 0.23800E+00 ppm1 0.804 ppm2 7.186
ASSI (
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG22))
OR
(( segid " " and resid 99 and name HG21))
)(
(( segid " " and resid 99 and name HN ))
)
5.000 5.000 0.000 peak 7098 weight 0.10000E+01 volume 0.49800E+00 ppm1 0.805 ppm2 9.126
ASSI (
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG22))
OR
(( segid " " and resid 99 and name HG21))
)(
(( segid " " and resid 100 and name HA2 ))
)
5.000 5.000 0.000 peak 5734 weight 0.10000E+01 volume 0.46200E+00 ppm1 0.804 ppm2 3.608
ASSI (
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG22))
OR
(( segid " " and resid 99 and name HG21))
)(
(( segid " " and resid 100 and name HN ))
)
5.000 5.000 0.000 peak 7117 weight 0.10000E+01 volume 0.13750E+01 ppm1 0.804 ppm2 8.437
ASSI (
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG22))
OR
(( segid " " and resid 99 and name HG21))
)(
(( segid " " and resid 101 and name HN ))
)
6.000 6.000 0.000 peak 9268 weight 0.10000E+01 volume 0.17700E+00 ppm1 0.804 ppm2 8.148
ASSI (
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG22))
OR
(( segid " " and resid 99 and name HG21))
)(
(( segid " " and resid 121 and name HN ))
)
5.000 5.000 0.000 peak 9269 weight 0.10000E+01 volume 0.39700E+00 ppm1 0.805 ppm2 7.963
ASSI (
(( segid " " and resid 100 and name HA1 ))
)(
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG22))
OR
(( segid " " and resid 99 and name HG21))
)
6.000 6.000 0.000 peak 9290 weight 0.10000E+01 volume 0.39000E-01 ppm1 4.462 ppm2 0.825
ASSI (
(( segid " " and resid 100 and name HA1 ))
)(
(( segid " " and resid 100 and name HN ))
)
5.000 5.000 0.000 peak 9286 weight 0.10000E+01 volume 0.35000E+00 ppm1 4.456 ppm2 8.431
ASSI (
(( segid " " and resid 100 and name HA1 ))
)(
(( segid " " and resid 101 and name HN ))
)
5.000 5.000 0.000 peak 6456 weight 0.10000E+01 volume 0.69900E+00 ppm1 4.459 ppm2 8.143
ASSI (
(( segid " " and resid 100 and name HA2 ))
)(
(( segid " " and resid 100 and name HA1 ))
)
2.700 2.700 0.000 peak 9287 weight 0.10000E+01 volume 0.32030E+01 ppm1 3.590 ppm2 4.464
ASSI (
(( segid " " and resid 101 and name HA ))
)(
(( segid " " and resid 101 and name HB1 ))
)
5.000 5.000 0.000 peak 9291 weight 0.10000E+01 volume 0.69000E+00 ppm1 4.448 ppm2 3.783
ASSI (
(( segid " " and resid 101 and name HA ))
)(
(( segid " " and resid 102 and name HG23))
OR
(( segid " " and resid 102 and name HG22))
OR
(( segid " " and resid 102 and name HG21))
)
6.000 6.000 0.000 peak 5091 weight 0.10000E+01 volume 0.15200E+00 ppm1 4.450 ppm2 1.336
ASSI (
(( segid " " and resid 101 and name HB1 ))
)(
(( segid " " and resid 101 and name HB2 ))
)
2.700 2.700 0.000 peak 9296 weight 0.10000E+01 volume 0.54960E+01 ppm1 3.778 ppm2 3.412
ASSI (
(( segid " " and resid 101 and name HB1 ))
)(
(( segid " " and resid 101 and name HN ))
)
3.300 3.300 0.000 peak 7137 weight 0.10000E+01 volume 0.22080E+01 ppm1 3.778 ppm2 8.148
ASSI (
(( segid " " and resid 101 and name HB1 ))
)(
(( segid " " and resid 103 and name HN ))
)
5.000 5.000 0.000 peak 7152 weight 0.10000E+01 volume 0.58700E+00 ppm1 3.780 ppm2 7.558
ASSI (
(( segid " " and resid 101 and name HB2 ))
)(
(( segid " " and resid 101 and name HN ))
)
5.000 5.000 0.000 peak 6418 weight 0.10000E+01 volume 0.13210E+01 ppm1 3.409 ppm2 8.145
ASSI (
(( segid " " and resid 101 and name HB2 ))
)(
(( segid " " and resid 102 and name HN ))
)
5.000 5.000 0.000 peak 7135 weight 0.10000E+01 volume 0.47300E+00 ppm1 3.409 ppm2 8.209
ASSI (
(( segid " " and resid 101 and name HB2 ))
)(
(( segid " " and resid 103 and name HN ))
)
5.000 5.000 0.000 peak 7150 weight 0.10000E+01 volume 0.35300E+00 ppm1 3.408 ppm2 7.557
ASSI (
(( segid " " and resid 102 and name HA ))
)(
(( segid " " and resid 90 and name HB1 ))
)
5.000 5.000 0.000 peak 5093 weight 0.10000E+01 volume 0.39300E+00 ppm1 4.284 ppm2 2.781
ASSI (
(( segid " " and resid 102 and name HA ))
)(
(( segid " " and resid 90 and name HN ))
)
5.000 5.000 0.000 peak 9297 weight 0.10000E+01 volume 0.43400E+00 ppm1 4.276 ppm2 8.383
ASSI (
(( segid " " and resid 102 and name HA ))
)(
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)
5.000 5.000 0.000 peak 5096 weight 0.10000E+01 volume 0.14100E+01 ppm1 4.278 ppm2 0.635
ASSI (
(( segid " " and resid 102 and name HA ))
)(
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
)
3.300 3.300 0.000 peak 5098 weight 0.10000E+01 volume 0.16630E+01 ppm1 4.279 ppm2 0.424
ASSI (
(( segid " " and resid 102 and name HA ))
)(
(( segid " " and resid 102 and name HB ))
)
3.300 3.300 0.000 peak 9301 weight 0.10000E+01 volume 0.21670E+01 ppm1 4.280 ppm2 4.536
ASSI (
(( segid " " and resid 102 and name HA ))
)(
(( segid " " and resid 102 and name HG23))
OR
(( segid " " and resid 102 and name HG22))
OR
(( segid " " and resid 102 and name HG21))
)
2.700 2.700 0.000 peak 9300 weight 0.10000E+01 volume 0.32020E+01 ppm1 4.279 ppm2 1.342
ASSI (
(( segid " " and resid 102 and name HA ))
)(
(( segid " " and resid 103 and name HN ))
)
5.000 5.000 0.000 peak 7156 weight 0.10000E+01 volume 0.41700E+00 ppm1 4.277 ppm2 7.558
ASSI (
(( segid " " and resid 102 and name HG23))
OR
(( segid " " and resid 102 and name HG22))
OR
(( segid " " and resid 102 and name HG21))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
6.000 6.000 0.000 peak 9305 weight 0.10000E+01 volume 0.15200E+00 ppm1 1.322 ppm2 7.022
ASSI (
(( segid " " and resid 102 and name HG23))
OR
(( segid " " and resid 102 and name HG22))
OR
(( segid " " and resid 102 and name HG21))
)(
(( segid " " and resid 102 and name HB ))
)
3.300 3.300 0.000 peak 5738 weight 0.10000E+01 volume 0.27990E+01 ppm1 1.323 ppm2 4.549
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
6.000 6.000 0.000 peak 9309 weight 0.10000E+01 volume 0.20300E+00 ppm1 5.056 ppm2 7.025
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 90 and name HN ))
)
5.000 5.000 0.000 peak 9307 weight 0.10000E+01 volume 0.67600E+00 ppm1 5.055 ppm2 8.381
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 103 and name HB ))
)
3.300 3.300 0.000 peak 9310 weight 0.10000E+01 volume 0.15610E+01 ppm1 5.057 ppm2 3.995
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 103 and name HG1 ))
)
5.000 5.000 0.000 peak 5099 weight 0.10000E+01 volume 0.12250E+01 ppm1 5.056 ppm2 4.806
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 103 and name HG23))
OR
(( segid " " and resid 103 and name HG22))
OR
(( segid " " and resid 103 and name HG21))
)
3.300 3.300 0.000 peak 5103 weight 0.10000E+01 volume 0.15440E+01 ppm1 5.056 ppm2 1.087
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 103 and name HN ))
)
5.000 5.000 0.000 peak 7160 weight 0.10000E+01 volume 0.38000E+00 ppm1 5.053 ppm2 7.563
ASSI (
(( segid " " and resid 103 and name HA ))
)(
(( segid " " and resid 104 and name HN ))
)
3.300 3.300 0.000 peak 7181 weight 0.10000E+01 volume 0.19940E+01 ppm1 5.056 ppm2 8.048
ASSI (
(( segid " " and resid 103 and name HB ))
)(
(( segid " " and resid 103 and name HG23))
OR
(( segid " " and resid 103 and name HG22))
OR
(( segid " " and resid 103 and name HG21))
)
2.700 2.700 0.000 peak 9317 weight 0.10000E+01 volume 0.31720E+01 ppm1 3.982 ppm2 1.084
ASSI (
(( segid " " and resid 103 and name HB ))
)(
(( segid " " and resid 103 and name HN ))
)
5.000 5.000 0.000 peak 7154 weight 0.10000E+01 volume 0.31000E+00 ppm1 3.983 ppm2 7.558
ASSI (
(( segid " " and resid 103 and name HG23))
OR
(( segid " " and resid 103 and name HG22))
OR
(( segid " " and resid 103 and name HG21))
)(
(( segid " " and resid 87 and name HE22))
)
5.000 5.000 0.000 peak 9321 weight 0.10000E+01 volume 0.62900E+00 ppm1 1.073 ppm2 6.810
ASSI (
(( segid " " and resid 103 and name HG23))
OR
(( segid " " and resid 103 and name HG22))
OR
(( segid " " and resid 103 and name HG21))
)(
(( segid " " and resid 88 and name HN ))
)
5.000 5.000 0.000 peak 9318 weight 0.10000E+01 volume 0.56600E+00 ppm1 1.072 ppm2 8.804
ASSI (
(( segid " " and resid 103 and name HG23))
OR
(( segid " " and resid 103 and name HG22))
OR
(( segid " " and resid 103 and name HG21))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
5.000 5.000 0.000 peak 9320 weight 0.10000E+01 volume 0.14320E+01 ppm1 1.072 ppm2 7.024
ASSI (
(( segid " " and resid 103 and name HG23))
OR
(( segid " " and resid 103 and name HG22))
OR
(( segid " " and resid 103 and name HG21))
)(
(( segid " " and resid 103 and name HN ))
)
5.000 5.000 0.000 peak 7147 weight 0.10000E+01 volume 0.10840E+01 ppm1 1.073 ppm2 7.556
ASSI (
(( segid " " and resid 103 and name HG23))
OR
(( segid " " and resid 103 and name HG22))
OR
(( segid " " and resid 103 and name HG21))
)(
(( segid " " and resid 104 and name HN ))
)
5.000 5.000 0.000 peak 9319 weight 0.10000E+01 volume 0.98000E+00 ppm1 1.072 ppm2 8.054
ASSI (
(( segid " " and resid 104 and name HB1 ))
)(
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)
5.000 5.000 0.000 peak 5315 weight 0.10000E+01 volume 0.39200E+00 ppm1 3.870 ppm2 -0.608
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 105 and name HG1 ))
)
5.000 5.000 0.000 peak 9331 weight 0.10000E+01 volume 0.57800E+00 ppm1 5.612 ppm2 1.400
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 115 and name HZ3 ))
)
5.000 5.000 0.000 peak 9326 weight 0.10000E+01 volume 0.43900E+00 ppm1 5.612 ppm2 6.847
ASSI (
(( segid " " and resid 105 and name HB1 ))
)(
(( segid " " and resid 105 and name HA ))
)
3.300 3.300 0.000 peak 9329 weight 0.10000E+01 volume 0.16000E+01 ppm1 1.696 ppm2 5.612
ASSI (
(( segid " " and resid 105 and name HB1 ))
)(
(( segid " " and resid 105 and name HD2 ))
OR
(( segid " " and resid 105 and name HD1 ))
)
3.300 3.300 0.000 peak 9342 weight 0.10000E+01 volume 0.19950E+01 ppm1 1.695 ppm2 3.093
ASSI (
(( segid " " and resid 105 and name HB1 ))
)(
(( segid " " and resid 105 and name HG1 ))
)
3.300 3.300 0.000 peak 5459 weight 0.10000E+01 volume 0.24750E+01 ppm1 1.694 ppm2 1.397
ASSI (
(( segid " " and resid 105 and name HB1 ))
)(
(( segid " " and resid 105 and name HN ))
)
5.000 5.000 0.000 peak 7188 weight 0.10000E+01 volume 0.10680E+01 ppm1 1.694 ppm2 9.016
ASSI (
(( segid " " and resid 105 and name HB1 ))
)(
(( segid " " and resid 106 and name HA ))
)
5.000 5.000 0.000 peak 9340 weight 0.10000E+01 volume 0.46600E+00 ppm1 1.693 ppm2 3.879
ASSI (
(( segid " " and resid 105 and name HB1 ))
)(
(( segid " " and resid 106 and name HN ))
)
5.000 5.000 0.000 peak 9332 weight 0.10000E+01 volume 0.12900E+01 ppm1 1.694 ppm2 8.381
ASSI (
(( segid " " and resid 105 and name HB2 ))
)(
(( segid " " and resid 105 and name HA ))
)
3.300 3.300 0.000 peak 9337 weight 0.10000E+01 volume 0.15710E+01 ppm1 1.643 ppm2 5.613
ASSI (
(( segid " " and resid 105 and name HB2 ))
)(
(( segid " " and resid 105 and name HD2 ))
OR
(( segid " " and resid 105 and name HD1 ))
)
3.300 3.300 0.000 peak 9343 weight 0.10000E+01 volume 0.19690E+01 ppm1 1.643 ppm2 3.093
ASSI (
(( segid " " and resid 105 and name HB2 ))
)(
(( segid " " and resid 105 and name HG1 ))
)
3.300 3.300 0.000 peak 9344 weight 0.10000E+01 volume 0.25040E+01 ppm1 1.644 ppm2 1.400
ASSI (
(( segid " " and resid 105 and name HB2 ))
)(
(( segid " " and resid 105 and name HN ))
)
5.000 5.000 0.000 peak 7187 weight 0.10000E+01 volume 0.10390E+01 ppm1 1.644 ppm2 9.016
ASSI (
(( segid " " and resid 105 and name HB2 ))
)(
(( segid " " and resid 106 and name HA ))
)
5.000 5.000 0.000 peak 9341 weight 0.10000E+01 volume 0.44600E+00 ppm1 1.643 ppm2 3.879
ASSI (
(( segid " " and resid 105 and name HB2 ))
)(
(( segid " " and resid 106 and name HN ))
)
5.000 5.000 0.000 peak 9334 weight 0.10000E+01 volume 0.11100E+01 ppm1 1.641 ppm2 8.379
ASSI (
(( segid " " and resid 105 and name HG1 ))
)(
(( segid " " and resid 104 and name HA ))
)
5.000 5.000 0.000 peak 2244 weight 0.10000E+01 volume 0.38400E+00 ppm1 1.401 ppm2 4.559
ASSI (
(( segid " " and resid 105 and name HG1 ))
)(
(( segid " " and resid 105 and name HD2 ))
OR
(( segid " " and resid 105 and name HD1 ))
)
2.700 2.700 0.000 peak 9347 weight 0.10000E+01 volume 0.42970E+01 ppm1 1.399 ppm2 3.093
ASSI (
(( segid " " and resid 105 and name HG1 ))
)(
(( segid " " and resid 106 and name HN ))
)
5.000 5.000 0.000 peak 9345 weight 0.10000E+01 volume 0.83000E+00 ppm1 1.398 ppm2 8.380
ASSI (
(( segid " " and resid 105 and name HG2 ))
)(
(( segid " " and resid 104 and name HA ))
)
5.000 5.000 0.000 peak 5742 weight 0.10000E+01 volume 0.37400E+00 ppm1 1.329 ppm2 4.560
ASSI (
(( segid " " and resid 105 and name HG2 ))
)(
(( segid " " and resid 105 and name HA ))
)
5.000 5.000 0.000 peak 5740 weight 0.10000E+01 volume 0.88100E+00 ppm1 1.334 ppm2 5.609
ASSI (
(( segid " " and resid 105 and name HG2 ))
)(
(( segid " " and resid 105 and name HD2 ))
OR
(( segid " " and resid 105 and name HD1 ))
)
2.700 2.700 0.000 peak 9348 weight 0.10000E+01 volume 0.35590E+01 ppm1 1.333 ppm2 3.094
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 106 and name HB1 ))
)
5.000 5.000 0.000 peak 9354 weight 0.10000E+01 volume 0.41700E+00 ppm1 3.894 ppm2 2.636
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 106 and name HN ))
)
5.000 5.000 0.000 peak 9352 weight 0.10000E+01 volume 0.57300E+00 ppm1 3.893 ppm2 8.369
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 107 and name HG2 ))
OR
(( segid " " and resid 107 and name HG1 ))
)
6.000 6.000 0.000 peak 5104 weight 0.10000E+01 volume 0.22200E+00 ppm1 3.898 ppm2 2.285
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 107 and name HN ))
)
3.300 3.300 0.000 peak 7211 weight 0.10000E+01 volume 0.22610E+01 ppm1 3.892 ppm2 9.099
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 115 and name HA ))
)
5.000 5.000 0.000 peak 5125 weight 0.10000E+01 volume 0.99600E+00 ppm1 3.893 ppm2 4.864
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 115 and name HE3 ))
)
5.000 5.000 0.000 peak 9353 weight 0.10000E+01 volume 0.32600E+00 ppm1 3.894 ppm2 7.339
ASSI (
(( segid " " and resid 106 and name HA ))
)(
(( segid " " and resid 116 and name HN ))
)
6.000 6.000 0.000 peak 9350 weight 0.10000E+01 volume 0.21200E+00 ppm1 3.893 ppm2 9.736
ASSI (
(( segid " " and resid 106 and name HB1 ))
)(
(( segid " " and resid 85 and name HN ))
)
5.000 5.000 0.000 peak 6901 weight 0.10000E+01 volume 0.43900E+00 ppm1 2.614 ppm2 8.555
ASSI (
(( segid " " and resid 106 and name HB1 ))
)(
(( segid " " and resid 106 and name HB2 ))
)
3.300 3.300 0.000 peak 9361 weight 0.10000E+01 volume 0.18060E+01 ppm1 2.617 ppm2 1.626
ASSI (
(( segid " " and resid 106 and name HB1 ))
)(
(( segid " " and resid 106 and name HN ))
)
5.000 5.000 0.000 peak 9356 weight 0.10000E+01 volume 0.12930E+01 ppm1 2.616 ppm2 8.372
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 84 and name HA ))
)
5.000 5.000 0.000 peak 5060 weight 0.10000E+01 volume 0.98100E+00 ppm1 1.614 ppm2 3.615
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 85 and name HN ))
)
5.000 5.000 0.000 peak 9355 weight 0.10000E+01 volume 0.30900E+00 ppm1 1.617 ppm2 8.556
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 106 and name HA ))
)
5.000 5.000 0.000 peak 9359 weight 0.10000E+01 volume 0.55700E+00 ppm1 1.617 ppm2 3.912
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 106 and name HN ))
)
5.000 5.000 0.000 peak 9357 weight 0.10000E+01 volume 0.79300E+00 ppm1 1.617 ppm2 8.371
ASSI (
(( segid " " and resid 107 and name HA ))
)(
(( segid " " and resid 107 and name HG2 ))
OR
(( segid " " and resid 107 and name HG1 ))
)
5.000 5.000 0.000 peak 9362 weight 0.10000E+01 volume 0.34000E+00 ppm1 4.926 ppm2 2.278
ASSI (
(( segid " " and resid 107 and name HA ))
)(
(( segid " " and resid 107 and name HN ))
)
5.000 5.000 0.000 peak 7213 weight 0.10000E+01 volume 0.44100E+00 ppm1 4.928 ppm2 9.101
ASSI (
(( segid " " and resid 107 and name HA ))
)(
(( segid " " and resid 108 and name HN ))
)
5.000 5.000 0.000 peak 7232 weight 0.10000E+01 volume 0.14840E+01 ppm1 4.927 ppm2 8.358
ASSI (
(( segid " " and resid 107 and name HB1 ))
)(
(( segid " " and resid 107 and name HA ))
)
5.000 5.000 0.000 peak 5363 weight 0.10000E+01 volume 0.54900E+00 ppm1 2.043 ppm2 4.949
ASSI (
(( segid " " and resid 107 and name HB2 ))
)(
(( segid " " and resid 106 and name HN ))
)
5.000 5.000 0.000 peak 9364 weight 0.10000E+01 volume 0.10750E+01 ppm1 1.943 ppm2 8.363
ASSI (
(( segid " " and resid 107 and name HB2 ))
)(
(( segid " " and resid 107 and name HA ))
)
5.000 5.000 0.000 peak 5460 weight 0.10000E+01 volume 0.88600E+00 ppm1 1.943 ppm2 4.938
ASSI (
(( segid " " and resid 107 and name HG2 ))
OR
(( segid " " and resid 107 and name HG1 ))
)(
(( segid " " and resid 107 and name HN ))
)
5.000 5.000 0.000 peak 7208 weight 0.10000E+01 volume 0.44900E+00 ppm1 2.265 ppm2 9.100
ASSI (
(( segid " " and resid 107 and name HG2 ))
OR
(( segid " " and resid 107 and name HG1 ))
)(
(( segid " " and resid 108 and name HN ))
)
5.000 5.000 0.000 peak 7228 weight 0.10000E+01 volume 0.39600E+00 ppm1 2.260 ppm2 8.355
ASSI (
(( segid " " and resid 107 and name HG2 ))
OR
(( segid " " and resid 107 and name HG1 ))
)(
(( segid " " and resid 116 and name HA ))
)
6.000 6.000 0.000 peak 5105 weight 0.10000E+01 volume 0.20400E+00 ppm1 2.264 ppm2 3.953
ASSI (
(( segid " " and resid 108 and name HA ))
)(
(( segid " " and resid 108 and name HN ))
)
5.000 5.000 0.000 peak 9368 weight 0.10000E+01 volume 0.11460E+01 ppm1 3.874 ppm2 8.361
ASSI (
(( segid " " and resid 108 and name HA ))
)(
(( segid " " and resid 109 and name HG2 ))
OR
(( segid " " and resid 109 and name HG1 ))
)
5.000 5.000 0.000 peak 5107 weight 0.10000E+01 volume 0.39300E+00 ppm1 3.872 ppm2 2.156
ASSI (
(( segid " " and resid 108 and name HA ))
)(
(( segid " " and resid 109 and name HN ))
)
2.700 2.700 0.000 peak 6451 weight 0.10000E+01 volume 0.33570E+01 ppm1 3.875 ppm2 8.055
ASSI (
(( segid " " and resid 108 and name HA ))
)(
(( segid " " and resid 113 and name HB ))
)
5.000 5.000 0.000 peak 9370 weight 0.10000E+01 volume 0.10730E+01 ppm1 3.874 ppm2 1.879
ASSI (
(( segid " " and resid 108 and name HA ))
)(
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)
3.300 3.300 0.000 peak 5757 weight 0.10000E+01 volume 0.21420E+01 ppm1 3.872 ppm2 0.501
ASSI (
(( segid " " and resid 108 and name HA ))
)(
(( segid " " and resid 114 and name HN ))
)
5.000 5.000 0.000 peak 9367 weight 0.10000E+01 volume 0.42300E+00 ppm1 3.874 ppm2 8.871
ASSI (
(( segid " " and resid 108 and name HB ))
)(
(( segid " " and resid 84 and name HE2 ))
OR
(( segid " " and resid 84 and name HE1 ))
)
5.000 5.000 0.000 peak 9374 weight 0.10000E+01 volume 0.31900E+00 ppm1 1.855 ppm2 7.350
ASSI (
(( segid " " and resid 108 and name HB ))
)(
(( segid " " and resid 107 and name HA ))
)
6.000 6.000 0.000 peak 9375 weight 0.10000E+01 volume 0.23800E+00 ppm1 1.853 ppm2 4.947
ASSI (
(( segid " " and resid 108 and name HB ))
)(
(( segid " " and resid 108 and name HA ))
)
5.000 5.000 0.000 peak 9376 weight 0.10000E+01 volume 0.63200E+00 ppm1 1.853 ppm2 3.892
ASSI (
(( segid " " and resid 108 and name HB ))
)(
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)
2.700 2.700 0.000 peak 9378 weight 0.10000E+01 volume 0.31260E+01 ppm1 1.856 ppm2 0.697
ASSI (
(( segid " " and resid 108 and name HB ))
)(
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)
2.700 2.700 0.000 peak 9377 weight 0.10000E+01 volume 0.38990E+01 ppm1 1.857 ppm2 0.805
ASSI (
(( segid " " and resid 108 and name HB ))
)(
(( segid " " and resid 109 and name HN ))
)
6.000 6.000 0.000 peak 9373 weight 0.10000E+01 volume 0.29200E+00 ppm1 1.855 ppm2 8.059
ASSI (
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)(
(( segid " " and resid 107 and name HA ))
)
5.000 5.000 0.000 peak 4870 weight 0.10000E+01 volume 0.57600E+00 ppm1 0.696 ppm2 4.937
ASSI (
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)(
(( segid " " and resid 108 and name HA ))
)
3.300 3.300 0.000 peak 9385 weight 0.10000E+01 volume 0.24960E+01 ppm1 0.696 ppm2 3.880
ASSI (
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)(
(( segid " " and resid 108 and name HN ))
)
3.300 3.300 0.000 peak 9381 weight 0.10000E+01 volume 0.24200E+01 ppm1 0.694 ppm2 8.360
ASSI (
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)(
(( segid " " and resid 109 and name HG2 ))
OR
(( segid " " and resid 109 and name HG1 ))
)
5.000 5.000 0.000 peak 5748 weight 0.10000E+01 volume 0.34700E+00 ppm1 0.696 ppm2 2.118
ASSI (
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)(
(( segid " " and resid 109 and name HN ))
)
5.000 5.000 0.000 peak 9382 weight 0.10000E+01 volume 0.90600E+00 ppm1 0.694 ppm2 8.057
ASSI (
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)(
(( segid " " and resid 113 and name HA ))
)
5.000 5.000 0.000 peak 5750 weight 0.10000E+01 volume 0.40500E+00 ppm1 0.695 ppm2 5.161
ASSI (
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)(
(( segid " " and resid 108 and name HA ))
)
3.300 3.300 0.000 peak 9398 weight 0.10000E+01 volume 0.23860E+01 ppm1 0.790 ppm2 3.877
ASSI (
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)(
(( segid " " and resid 108 and name HN ))
)
5.000 5.000 0.000 peak 9391 weight 0.10000E+01 volume 0.88800E+00 ppm1 0.788 ppm2 8.360
ASSI (
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)(
(( segid " " and resid 110 and name HA ))
)
5.000 5.000 0.000 peak 9397 weight 0.10000E+01 volume 0.30900E+00 ppm1 0.789 ppm2 4.096
ASSI (
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)(
(( segid " " and resid 112 and name HN ))
)
5.000 5.000 0.000 peak 7283 weight 0.10000E+01 volume 0.61300E+00 ppm1 0.788 ppm2 7.741
ASSI (
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)(
(( segid " " and resid 113 and name HA ))
)
5.000 5.000 0.000 peak 5745 weight 0.10000E+01 volume 0.43100E+00 ppm1 0.791 ppm2 5.154
ASSI (
(( segid " " and resid 109 and name HA ))
)(
(( segid " " and resid 109 and name HB1 ))
)
3.300 3.300 0.000 peak 9403 weight 0.10000E+01 volume 0.21860E+01 ppm1 4.414 ppm2 1.831
ASSI (
(( segid " " and resid 109 and name HA ))
)(
(( segid " " and resid 109 and name HB2 ))
)
5.000 5.000 0.000 peak 9404 weight 0.10000E+01 volume 0.14680E+01 ppm1 4.411 ppm2 1.566
ASSI (
(( segid " " and resid 109 and name HA ))
)(
(( segid " " and resid 109 and name HG2 ))
OR
(( segid " " and resid 109 and name HG1 ))
)
3.300 3.300 0.000 peak 9402 weight 0.10000E+01 volume 0.29720E+01 ppm1 4.412 ppm2 2.152
ASSI (
(( segid " " and resid 109 and name HA ))
)(
(( segid " " and resid 110 and name HN ))
)
2.700 2.700 0.000 peak 9401 weight 0.10000E+01 volume 0.55400E+01 ppm1 4.413 ppm2 8.785
ASSI (
(( segid " " and resid 109 and name HB1 ))
)(
(( segid " " and resid 108 and name HA ))
)
5.000 5.000 0.000 peak 9409 weight 0.10000E+01 volume 0.60400E+00 ppm1 1.832 ppm2 3.876
ASSI (
(( segid " " and resid 109 and name HB1 ))
)(
(( segid " " and resid 109 and name HB2 ))
)
2.700 2.700 0.000 peak 9413 weight 0.10000E+01 volume 0.66300E+01 ppm1 1.832 ppm2 1.564
ASSI (
(( segid " " and resid 109 and name HB1 ))
)(
(( segid " " and resid 109 and name HN ))
)
5.000 5.000 0.000 peak 9405 weight 0.10000E+01 volume 0.72700E+00 ppm1 1.831 ppm2 8.069
ASSI (
(( segid " " and resid 109 and name HB1 ))
)(
(( segid " " and resid 110 and name HN ))
)
5.000 5.000 0.000 peak 7258 weight 0.10000E+01 volume 0.79600E+00 ppm1 1.831 ppm2 8.781
ASSI (
(( segid " " and resid 109 and name HB2 ))
)(
(( segid " " and resid 108 and name HA ))
)
6.000 6.000 0.000 peak 9410 weight 0.10000E+01 volume 0.26600E+00 ppm1 1.550 ppm2 3.878
ASSI (
(( segid " " and resid 109 and name HB2 ))
)(
(( segid " " and resid 109 and name HG2 ))
OR
(( segid " " and resid 109 and name HG1 ))
)
3.300 3.300 0.000 peak 9411 weight 0.10000E+01 volume 0.15890E+01 ppm1 1.555 ppm2 2.144
ASSI (
(( segid " " and resid 109 and name HB2 ))
)(
(( segid " " and resid 109 and name HN ))
)
5.000 5.000 0.000 peak 9406 weight 0.10000E+01 volume 0.77900E+00 ppm1 1.551 ppm2 8.070
ASSI (
(( segid " " and resid 109 and name HB2 ))
)(
(( segid " " and resid 110 and name HN ))
)
5.000 5.000 0.000 peak 7256 weight 0.10000E+01 volume 0.48600E+00 ppm1 1.551 ppm2 8.779
ASSI (
(( segid " " and resid 109 and name HG2 ))
OR
(( segid " " and resid 109 and name HG1 ))
)(
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)
6.000 6.000 0.000 peak 9421 weight 0.10000E+01 volume 0.27800E+00 ppm1 2.141 ppm2 0.796
ASSI (
(( segid " " and resid 109 and name HG2 ))
OR
(( segid " " and resid 109 and name HG1 ))
)(
(( segid " " and resid 109 and name HE21))
)
3.300 3.300 0.000 peak 9417 weight 0.10000E+01 volume 0.20190E+01 ppm1 2.143 ppm2 7.678
ASSI (
(( segid " " and resid 109 and name HG2 ))
OR
(( segid " " and resid 109 and name HG1 ))
)(
(( segid " " and resid 109 and name HE22))
)
5.000 5.000 0.000 peak 5753 weight 0.10000E+01 volume 0.10960E+01 ppm1 2.144 ppm2 6.136
ASSI (
(( segid " " and resid 109 and name HG2 ))
OR
(( segid " " and resid 109 and name HG1 ))
)(
(( segid " " and resid 109 and name HN ))
)
5.000 5.000 0.000 peak 9416 weight 0.10000E+01 volume 0.92500E+00 ppm1 2.143 ppm2 8.054
ASSI (
(( segid " " and resid 109 and name HG2 ))
OR
(( segid " " and resid 109 and name HG1 ))
)(
(( segid " " and resid 110 and name HN ))
)
5.000 5.000 0.000 peak 9415 weight 0.10000E+01 volume 0.63600E+00 ppm1 2.141 ppm2 8.766
ASSI (
(( segid " " and resid 109 and name HG2 ))
OR
(( segid " " and resid 109 and name HG1 ))
)(
(( segid " " and resid 113 and name HA ))
)
5.000 5.000 0.000 peak 5752 weight 0.10000E+01 volume 0.30200E+00 ppm1 2.144 ppm2 5.162
ASSI (
(( segid " " and resid 109 and name HG2 ))
OR
(( segid " " and resid 109 and name HG1 ))
)(
(( segid " " and resid 114 and name HN ))
)
5.000 5.000 0.000 peak 9414 weight 0.10000E+01 volume 0.86200E+00 ppm1 2.142 ppm2 8.852
ASSI (
(( segid " " and resid 110 and name HA ))
)(
(( segid " " and resid 110 and name HB1 ))
)
3.300 3.300 0.000 peak 9424 weight 0.10000E+01 volume 0.15700E+01 ppm1 4.105 ppm2 2.788
ASSI (
(( segid " " and resid 110 and name HA ))
)(
(( segid " " and resid 110 and name HB2 ))
)
3.300 3.300 0.000 peak 9426 weight 0.10000E+01 volume 0.19140E+01 ppm1 4.105 ppm2 2.629
ASSI (
(( segid " " and resid 110 and name HA ))
)(
(( segid " " and resid 111 and name HN ))
)
3.300 3.300 0.000 peak 9423 weight 0.10000E+01 volume 0.21310E+01 ppm1 4.102 ppm2 8.105
ASSI (
(( segid " " and resid 110 and name HB1 ))
)(
(( segid " " and resid 110 and name HN ))
)
3.300 3.300 0.000 peak 7263 weight 0.10000E+01 volume 0.16080E+01 ppm1 2.774 ppm2 8.779
ASSI (
(( segid " " and resid 110 and name HB1 ))
)(
(( segid " " and resid 111 and name HN ))
)
3.300 3.300 0.000 peak 7320 weight 0.10000E+01 volume 0.24020E+01 ppm1 2.778 ppm2 8.102
ASSI (
(( segid " " and resid 110 and name HB1 ))
)(
(( segid " " and resid 112 and name HN ))
)
6.000 6.000 0.000 peak 9427 weight 0.10000E+01 volume 0.27000E+00 ppm1 2.777 ppm2 7.727
ASSI (
(( segid " " and resid 110 and name HB2 ))
)(
(( segid " " and resid 110 and name HN ))
)
5.000 5.000 0.000 peak 7261 weight 0.10000E+01 volume 0.10180E+01 ppm1 2.609 ppm2 8.780
ASSI (
(( segid " " and resid 110 and name HB2 ))
)(
(( segid " " and resid 111 and name HN ))
)
3.300 3.300 0.000 peak 6751 weight 0.10000E+01 volume 0.15310E+01 ppm1 2.609 ppm2 8.102
ASSI (
(( segid " " and resid 110 and name HB2 ))
)(
(( segid " " and resid 112 and name HN ))
)
6.000 6.000 0.000 peak 7289 weight 0.10000E+01 volume 0.11300E+00 ppm1 2.612 ppm2 7.732
ASSI (
(( segid " " and resid 111 and name HA ))
)(
(( segid " " and resid 110 and name HB1 ))
)
5.000 5.000 0.000 peak 5113 weight 0.10000E+01 volume 0.45500E+00 ppm1 4.305 ppm2 2.781
ASSI (
(( segid " " and resid 111 and name HA ))
)(
(( segid " " and resid 111 and name HB1 ))
)
3.300 3.300 0.000 peak 9432 weight 0.10000E+01 volume 0.23930E+01 ppm1 4.306 ppm2 1.977
ASSI (
(( segid " " and resid 111 and name HA ))
)(
(( segid " " and resid 111 and name HB2 ))
)
2.700 2.700 0.000 peak 9433 weight 0.10000E+01 volume 0.38650E+01 ppm1 4.305 ppm2 1.691
ASSI (
(( segid " " and resid 111 and name HA ))
)(
(( segid " " and resid 111 and name HD2 ))
OR
(( segid " " and resid 111 and name HD1 ))
)
5.000 5.000 0.000 peak 9431 weight 0.10000E+01 volume 0.57700E+00 ppm1 4.305 ppm2 3.127
ASSI (
(( segid " " and resid 111 and name HA ))
)(
(( segid " " and resid 111 and name HG2 ))
OR
(( segid " " and resid 111 and name HG1 ))
)
3.300 3.300 0.000 peak 9434 weight 0.10000E+01 volume 0.26560E+01 ppm1 4.307 ppm2 1.552
ASSI (
(( segid " " and resid 111 and name HA ))
)(
(( segid " " and resid 111 and name HN ))
)
2.700 2.700 0.000 peak 9430 weight 0.10000E+01 volume 0.50510E+01 ppm1 4.305 ppm2 8.102
ASSI (
(( segid " " and resid 111 and name HA ))
)(
(( segid " " and resid 112 and name HN ))
)
5.000 5.000 0.000 peak 7293 weight 0.10000E+01 volume 0.87200E+00 ppm1 4.300 ppm2 7.731
ASSI (
(( segid " " and resid 111 and name HB1 ))
)(
(( segid " " and resid 111 and name HD2 ))
OR
(( segid " " and resid 111 and name HD1 ))
)
6.000 6.000 0.000 peak 9439 weight 0.10000E+01 volume 0.16100E+00 ppm1 1.967 ppm2 3.124
ASSI (
(( segid " " and resid 111 and name HB1 ))
)(
(( segid " " and resid 111 and name HN ))
)
5.000 5.000 0.000 peak 9435 weight 0.10000E+01 volume 0.67800E+00 ppm1 1.967 ppm2 8.102
ASSI (
(( segid " " and resid 111 and name HB2 ))
)(
(( segid " " and resid 111 and name HD2 ))
OR
(( segid " " and resid 111 and name HD1 ))
)
6.000 6.000 0.000 peak 9440 weight 0.10000E+01 volume 0.17200E+00 ppm1 1.677 ppm2 3.124
ASSI (
(( segid " " and resid 111 and name HB2 ))
)(
(( segid " " and resid 111 and name HN ))
)
3.300 3.300 0.000 peak 9436 weight 0.10000E+01 volume 0.22320E+01 ppm1 1.677 ppm2 8.102
ASSI (
(( segid " " and resid 111 and name HG2 ))
OR
(( segid " " and resid 111 and name HG1 ))
)(
(( segid " " and resid 111 and name HB1 ))
)
2.700 2.700 0.000 peak 9443 weight 0.10000E+01 volume 0.34460E+01 ppm1 1.533 ppm2 1.980
ASSI (
(( segid " " and resid 111 and name HG2 ))
OR
(( segid " " and resid 111 and name HG1 ))
)(
(( segid " " and resid 111 and name HN ))
)
3.300 3.300 0.000 peak 9441 weight 0.10000E+01 volume 0.21060E+01 ppm1 1.533 ppm2 8.103
ASSI (
(( segid " " and resid 112 and name HA1 ))
)(
(( segid " " and resid 113 and name HN ))
)
3.300 3.300 0.000 peak 5115 weight 0.10000E+01 volume 0.27370E+01 ppm1 4.015 ppm2 8.148
ASSI (
(( segid " " and resid 112 and name HA2 ))
)(
(( segid " " and resid 113 and name HN ))
)
3.300 3.300 0.000 peak 5935 weight 0.10000E+01 volume 0.28350E+01 ppm1 3.936 ppm2 8.147
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 108 and name HA ))
)
3.300 3.300 0.000 peak 9449 weight 0.10000E+01 volume 0.17920E+01 ppm1 5.148 ppm2 3.879
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 113 and name HB ))
)
5.000 5.000 0.000 peak 9450 weight 0.10000E+01 volume 0.10970E+01 ppm1 5.148 ppm2 1.890
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 114 and name HN ))
)
3.300 3.300 0.000 peak 7300 weight 0.10000E+01 volume 0.18280E+01 ppm1 5.147 ppm2 8.869
ASSI (
(( segid " " and resid 113 and name HB ))
)(
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)
2.700 2.700 0.000 peak 9455 weight 0.10000E+01 volume 0.44010E+01 ppm1 1.883 ppm2 0.499
ASSI (
(( segid " " and resid 113 and name HB ))
)(
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)
3.300 3.300 0.000 peak 9457 weight 0.10000E+01 volume 0.21670E+01 ppm1 1.884 ppm2 0.419
ASSI (
(( segid " " and resid 113 and name HB ))
)(
(( segid " " and resid 113 and name HN ))
)
6.000 6.000 0.000 peak 9453 weight 0.10000E+01 volume 0.23000E+00 ppm1 1.883 ppm2 8.143
ASSI (
(( segid " " and resid 113 and name HB ))
)(
(( segid " " and resid 114 and name HN ))
)
5.000 5.000 0.000 peak 9452 weight 0.10000E+01 volume 0.11560E+01 ppm1 1.883 ppm2 8.875
ASSI (
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)(
(( segid " " and resid 63 and name HA ))
)
5.000 5.000 0.000 peak 9463 weight 0.10000E+01 volume 0.36400E+00 ppm1 0.498 ppm2 4.158
ASSI (
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)(
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)
5.000 5.000 0.000 peak 9461 weight 0.10000E+01 volume 0.71500E+00 ppm1 0.497 ppm2 6.721
ASSI (
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)(
(( segid " " and resid 84 and name HE2 ))
OR
(( segid " " and resid 84 and name HE1 ))
)
6.000 6.000 0.000 peak 9460 weight 0.10000E+01 volume 0.27600E+00 ppm1 0.497 ppm2 7.352
ASSI (
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)(
(( segid " " and resid 84 and name HN ))
)
5.000 5.000 0.000 peak 6885 weight 0.10000E+01 volume 0.54500E+00 ppm1 0.500 ppm2 8.155
ASSI (
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)(
(( segid " " and resid 108 and name HN ))
)
5.000 5.000 0.000 peak 9459 weight 0.10000E+01 volume 0.30300E+00 ppm1 0.497 ppm2 8.343
ASSI (
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)(
(( segid " " and resid 109 and name HN ))
)
5.000 5.000 0.000 peak 7238 weight 0.10000E+01 volume 0.38400E+00 ppm1 0.499 ppm2 8.046
ASSI (
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)(
(( segid " " and resid 112 and name HN ))
)
6.000 6.000 0.000 peak 6633 weight 0.10000E+01 volume 0.18900E+00 ppm1 0.497 ppm2 7.733
ASSI (
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)(
(( segid " " and resid 113 and name HA ))
)
3.300 3.300 0.000 peak 9462 weight 0.10000E+01 volume 0.16620E+01 ppm1 0.498 ppm2 5.165
ASSI (
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)(
(( segid " " and resid 114 and name HA2 ))
)
5.000 5.000 0.000 peak 9466 weight 0.10000E+01 volume 0.37700E+00 ppm1 0.499 ppm2 3.706
ASSI (
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)(
(( segid " " and resid 114 and name HN ))
)
5.000 5.000 0.000 peak 9458 weight 0.10000E+01 volume 0.72200E+00 ppm1 0.499 ppm2 8.876
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 63 and name HD1 ))
)
3.300 3.300 0.000 peak 5759 weight 0.10000E+01 volume 0.18760E+01 ppm1 0.419 ppm2 1.457
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 63 and name HE1 ))
)
5.000 5.000 0.000 peak 9478 weight 0.10000E+01 volume 0.39800E+00 ppm1 0.419 ppm2 2.706
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 65 and name HN ))
)
6.000 6.000 0.000 peak 6637 weight 0.10000E+01 volume 0.28600E+00 ppm1 0.420 ppm2 8.545
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 66 and name HN ))
)
5.000 5.000 0.000 peak 6645 weight 0.10000E+01 volume 0.50700E+00 ppm1 0.419 ppm2 8.357
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 108 and name HA ))
)
5.000 5.000 0.000 peak 9476 weight 0.10000E+01 volume 0.71000E+00 ppm1 0.418 ppm2 3.878
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 112 and name HN ))
)
5.000 5.000 0.000 peak 6631 weight 0.10000E+01 volume 0.46700E+00 ppm1 0.418 ppm2 7.729
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 113 and name HA ))
)
5.000 5.000 0.000 peak 9473 weight 0.10000E+01 volume 0.43800E+00 ppm1 0.418 ppm2 5.171
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 113 and name HN ))
)
3.300 3.300 0.000 peak 9469 weight 0.10000E+01 volume 0.19530E+01 ppm1 0.419 ppm2 8.148
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 114 and name HA2 ))
)
6.000 6.000 0.000 peak 9477 weight 0.10000E+01 volume 0.27100E+00 ppm1 0.418 ppm2 3.716
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 114 and name HN ))
)
5.000 5.000 0.000 peak 9468 weight 0.10000E+01 volume 0.50400E+00 ppm1 0.419 ppm2 8.879
ASSI (
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)(
(( segid " " and resid 115 and name HN ))
)
6.000 6.000 0.000 peak 9470 weight 0.10000E+01 volume 0.25200E+00 ppm1 0.418 ppm2 8.010
ASSI (
(( segid " " and resid 114 and name HA1 ))
)(
(( segid " " and resid 114 and name HA2 ))
)
2.700 2.700 0.000 peak 9484 weight 0.10000E+01 volume 0.54160E+01 ppm1 3.853 ppm2 3.709
ASSI (
(( segid " " and resid 114 and name HA1 ))
)(
(( segid " " and resid 114 and name HN ))
)
5.000 5.000 0.000 peak 9482 weight 0.10000E+01 volume 0.66700E+00 ppm1 3.850 ppm2 8.873
ASSI (
(( segid " " and resid 114 and name HA1 ))
)(
(( segid " " and resid 115 and name HN ))
)
3.300 3.300 0.000 peak 6933 weight 0.10000E+01 volume 0.19290E+01 ppm1 3.851 ppm2 8.009
ASSI (
(( segid " " and resid 114 and name HA2 ))
)(
(( segid " " and resid 114 and name HN ))
)
5.000 5.000 0.000 peak 9483 weight 0.10000E+01 volume 0.53000E+00 ppm1 3.702 ppm2 8.874
ASSI (
(( segid " " and resid 115 and name HA ))
)(
(( segid " " and resid 115 and name HB1 ))
)
5.000 5.000 0.000 peak 9487 weight 0.10000E+01 volume 0.95400E+00 ppm1 4.850 ppm2 3.521
ASSI (
(( segid " " and resid 115 and name HA ))
)(
(( segid " " and resid 115 and name HB2 ))
)
3.300 3.300 0.000 peak 9488 weight 0.10000E+01 volume 0.16750E+01 ppm1 4.847 ppm2 2.797
ASSI (
(( segid " " and resid 115 and name HA ))
)(
(( segid " " and resid 115 and name HE3 ))
)
5.000 5.000 0.000 peak 7459 weight 0.10000E+01 volume 0.58600E+00 ppm1 4.850 ppm2 7.327
ASSI (
(( segid " " and resid 115 and name HA ))
)(
(( segid " " and resid 115 and name HN ))
)
2.700 2.700 0.000 peak 9486 weight 0.10000E+01 volume 0.33070E+01 ppm1 4.850 ppm2 8.007
ASSI (
(( segid " " and resid 115 and name HB1 ))
)(
(( segid " " and resid 115 and name HB2 ))
)
3.300 3.300 0.000 peak 7462 weight 0.10000E+01 volume 0.21390E+01 ppm1 3.513 ppm2 2.796
ASSI (
(( segid " " and resid 115 and name HB1 ))
)(
(( segid " " and resid 115 and name HE3 ))
)
5.000 5.000 0.000 peak 6663 weight 0.10000E+01 volume 0.51600E+00 ppm1 3.511 ppm2 7.313
ASSI (
(( segid " " and resid 115 and name HB1 ))
)(
(( segid " " and resid 115 and name HN ))
)
5.000 5.000 0.000 peak 7456 weight 0.10000E+01 volume 0.74600E+00 ppm1 3.513 ppm2 8.011
ASSI (
(( segid " " and resid 115 and name HB1 ))
)(
(( segid " " and resid 116 and name HN ))
)
6.000 6.000 0.000 peak 9489 weight 0.10000E+01 volume 0.22100E+00 ppm1 3.513 ppm2 9.726
ASSI (
(( segid " " and resid 115 and name HB2 ))
)(
(( segid " " and resid 115 and name HE3 ))
)
5.000 5.000 0.000 peak 6447 weight 0.10000E+01 volume 0.85900E+00 ppm1 2.782 ppm2 7.303
ASSI (
(( segid " " and resid 115 and name HB2 ))
)(
(( segid " " and resid 116 and name HN ))
)
6.000 6.000 0.000 peak 9490 weight 0.10000E+01 volume 0.17700E+00 ppm1 2.782 ppm2 9.729
ASSI (
(( segid " " and resid 115 and name HD1 ))
)(
(( segid " " and resid 115 and name HB1 ))
)
5.000 5.000 0.000 peak 9498 weight 0.10000E+01 volume 0.79000E+00 ppm1 7.270 ppm2 3.504
ASSI (
(( segid " " and resid 115 and name HD1 ))
)(
(( segid " " and resid 115 and name HB2 ))
)
5.000 5.000 0.000 peak 9497 weight 0.10000E+01 volume 0.68800E+00 ppm1 7.270 ppm2 2.799
ASSI (
(( segid " " and resid 115 and name HD1 ))
)(
(( segid " " and resid 115 and name HN ))
)
5.000 5.000 0.000 peak 6669 weight 0.10000E+01 volume 0.33100E+00 ppm1 7.271 ppm2 8.017
ASSI (
(( segid " " and resid 115 and name HE3 ))
)(
(( segid " " and resid 115 and name HZ3 ))
)
5.000 5.000 0.000 peak 6728 weight 0.10000E+01 volume 0.55400E+00 ppm1 7.325 ppm2 6.845
ASSI (
(( segid " " and resid 115 and name HH2 ))
)(
(( segid " " and resid 115 and name HZ2 ))
)
5.000 5.000 0.000 peak 6724 weight 0.10000E+01 volume 0.30600E+00 ppm1 6.766 ppm2 7.166
ASSI (
(( segid " " and resid 115 and name HZ2 ))
)(
(( segid " " and resid 68 and name HD1 ))
)
5.000 5.000 0.000 peak 7591 weight 0.10000E+01 volume 0.33700E+00 ppm1 7.160 ppm2 3.220
ASSI (
(( segid " " and resid 115 and name HZ2 ))
)(
(( segid " " and resid 68 and name HD2 ))
)
5.000 5.000 0.000 peak 9502 weight 0.10000E+01 volume 0.30800E+00 ppm1 7.162 ppm2 2.460
ASSI (
(( segid " " and resid 115 and name HZ2 ))
)(
(( segid " " and resid 68 and name HG2 ))
)
5.000 5.000 0.000 peak 9503 weight 0.10000E+01 volume 0.32600E+00 ppm1 7.161 ppm2 1.010
ASSI (
(( segid " " and resid 115 and name HZ2 ))
)(
(( segid " " and resid 115 and name HE3 ))
)
6.000 6.000 0.000 peak 7465 weight 0.10000E+01 volume 0.28700E+00 ppm1 7.158 ppm2 7.326
ASSI (
(( segid " " and resid 115 and name HZ3 ))
)(
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
)
6.000 6.000 0.000 peak 9505 weight 0.10000E+01 volume 0.22000E+00 ppm1 6.846 ppm2 0.480
ASSI (
(( segid " " and resid 116 and name HA ))
)(
(( segid " " and resid 107 and name HB1 ))
)
6.000 6.000 0.000 peak 9515 weight 0.10000E+01 volume 0.21300E+00 ppm1 3.965 ppm2 2.029
ASSI (
(( segid " " and resid 116 and name HA ))
)(
(( segid " " and resid 109 and name HE21))
)
5.000 5.000 0.000 peak 9509 weight 0.10000E+01 volume 0.42400E+00 ppm1 3.964 ppm2 7.679
ASSI (
(( segid " " and resid 116 and name HA ))
)(
(( segid " " and resid 116 and name HG ))
)
5.000 5.000 0.000 peak 9513 weight 0.10000E+01 volume 0.41900E+00 ppm1 3.965 ppm2 4.628
ASSI (
(( segid " " and resid 116 and name HA ))
)(
(( segid " " and resid 116 and name HN ))
)
5.000 5.000 0.000 peak 9507 weight 0.10000E+01 volume 0.53200E+00 ppm1 3.966 ppm2 9.723
ASSI (
(( segid " " and resid 116 and name HA ))
)(
(( segid " " and resid 117 and name HN ))
)
6.000 6.000 0.000 peak 9508 weight 0.10000E+01 volume 0.22200E+00 ppm1 3.963 ppm2 7.987
ASSI (
(( segid " " and resid 116 and name HB1 ))
)(
(( segid " " and resid 116 and name HG ))
)
5.000 5.000 0.000 peak 9518 weight 0.10000E+01 volume 0.92600E+00 ppm1 3.857 ppm2 4.626
ASSI (
(( segid " " and resid 116 and name HB1 ))
)(
(( segid " " and resid 116 and name HN ))
)
6.000 6.000 0.000 peak 9516 weight 0.10000E+01 volume 0.21100E+00 ppm1 3.856 ppm2 9.744
ASSI (
(( segid " " and resid 116 and name HB2 ))
)(
(( segid " " and resid 116 and name HA ))
)
2.700 2.700 0.000 peak 9520 weight 0.10000E+01 volume 0.30120E+01 ppm1 3.686 ppm2 3.974
ASSI (
(( segid " " and resid 116 and name HB2 ))
)(
(( segid " " and resid 116 and name HB1 ))
)
2.700 2.700 0.000 peak 9521 weight 0.10000E+01 volume 0.30520E+01 ppm1 3.685 ppm2 3.861
ASSI (
(( segid " " and resid 116 and name HB2 ))
)(
(( segid " " and resid 116 and name HG ))
)
5.000 5.000 0.000 peak 9519 weight 0.10000E+01 volume 0.59600E+00 ppm1 3.686 ppm2 4.627
ASSI (
(( segid " " and resid 116 and name HB2 ))
)(
(( segid " " and resid 116 and name HN ))
)
6.000 6.000 0.000 peak 9517 weight 0.10000E+01 volume 0.23600E+00 ppm1 3.687 ppm2 9.743
ASSI (
(( segid " " and resid 117 and name HA ))
)(
(( segid " " and resid 117 and name HB1 ))
)
5.000 5.000 0.000 peak 9524 weight 0.10000E+01 volume 0.70400E+00 ppm1 5.337 ppm2 3.373
ASSI (
(( segid " " and resid 117 and name HA ))
)(
(( segid " " and resid 117 and name HB2 ))
)
5.000 5.000 0.000 peak 9525 weight 0.10000E+01 volume 0.49400E+00 ppm1 5.336 ppm2 3.150
ASSI (
(( segid " " and resid 117 and name HA ))
)(
(( segid " " and resid 118 and name HD1 ))
)
3.300 3.300 0.000 peak 9523 weight 0.10000E+01 volume 0.22540E+01 ppm1 5.336 ppm2 3.876
ASSI (
(( segid " " and resid 117 and name HA ))
)(
(( segid " " and resid 118 and name HD2 ))
)
3.300 3.300 0.000 peak 5126 weight 0.10000E+01 volume 0.23980E+01 ppm1 5.335 ppm2 3.785
ASSI (
(( segid " " and resid 117 and name HA ))
)(
(( segid " " and resid 118 and name HG1 ))
)
5.000 5.000 0.000 peak 5129 weight 0.10000E+01 volume 0.39700E+00 ppm1 5.338 ppm2 2.036
ASSI (
(( segid " " and resid 117 and name HB1 ))
)(
(( segid " " and resid 117 and name HB2 ))
)
2.700 2.700 0.000 peak 9535 weight 0.10000E+01 volume 0.31720E+01 ppm1 3.351 ppm2 3.129
ASSI (
(( segid " " and resid 117 and name HB1 ))
)(
(( segid " " and resid 118 and name HA ))
)
6.000 6.000 0.000 peak 5470 weight 0.10000E+01 volume 0.28800E+00 ppm1 3.355 ppm2 4.598
ASSI (
(( segid " " and resid 117 and name HB1 ))
)(
(( segid " " and resid 118 and name HD1 ))
)
5.000 5.000 0.000 peak 9532 weight 0.10000E+01 volume 0.40100E+00 ppm1 3.353 ppm2 3.881
ASSI (
(( segid " " and resid 117 and name HB1 ))
)(
(( segid " " and resid 118 and name HD2 ))
)
5.000 5.000 0.000 peak 5474 weight 0.10000E+01 volume 0.61700E+00 ppm1 3.351 ppm2 3.783
ASSI (
(( segid " " and resid 117 and name HB2 ))
)(
(( segid " " and resid 117 and name HN ))
)
5.000 5.000 0.000 peak 9527 weight 0.10000E+01 volume 0.40500E+00 ppm1 3.130 ppm2 7.963
ASSI (
(( segid " " and resid 117 and name HB2 ))
)(
(( segid " " and resid 118 and name HA ))
)
5.000 5.000 0.000 peak 5472 weight 0.10000E+01 volume 0.38900E+00 ppm1 3.123 ppm2 4.597
ASSI (
(( segid " " and resid 117 and name HB2 ))
)(
(( segid " " and resid 118 and name HD1 ))
)
5.000 5.000 0.000 peak 9533 weight 0.10000E+01 volume 0.68400E+00 ppm1 3.129 ppm2 3.880
ASSI (
(( segid " " and resid 118 and name HB1 ))
)(
(( segid " " and resid 118 and name HA ))
)
3.300 3.300 0.000 peak 5516 weight 0.10000E+01 volume 0.15720E+01 ppm1 2.240 ppm2 4.580
ASSI (
(( segid " " and resid 118 and name HB1 ))
)(
(( segid " " and resid 119 and name HN ))
)
5.000 5.000 0.000 peak 7331 weight 0.10000E+01 volume 0.63600E+00 ppm1 2.241 ppm2 7.863
ASSI (
(( segid " " and resid 118 and name HB2 ))
)(
(( segid " " and resid 118 and name HA ))
)
3.300 3.300 0.000 peak 6712 weight 0.10000E+01 volume 0.25820E+01 ppm1 2.010 ppm2 4.580
ASSI (
(( segid " " and resid 118 and name HB2 ))
)(
(( segid " " and resid 119 and name HN ))
)
3.300 3.300 0.000 peak 9537 weight 0.10000E+01 volume 0.19800E+01 ppm1 2.010 ppm2 7.865
ASSI (
(( segid " " and resid 118 and name HD1 ))
)(
(( segid " " and resid 118 and name HG1 ))
)
3.300 3.300 0.000 peak 9545 weight 0.10000E+01 volume 0.17980E+01 ppm1 3.861 ppm2 2.040
ASSI (
(( segid " " and resid 118 and name HD1 ))
)(
(( segid " " and resid 118 and name HG2 ))
)
5.000 5.000 0.000 peak 9546 weight 0.10000E+01 volume 0.14410E+01 ppm1 3.860 ppm2 1.826
ASSI (
(( segid " " and resid 118 and name HD2 ))
)(
(( segid " " and resid 117 and name HB2 ))
)
6.000 6.000 0.000 peak 9543 weight 0.10000E+01 volume 0.28700E+00 ppm1 3.766 ppm2 3.130
ASSI (
(( segid " " and resid 118 and name HD2 ))
)(
(( segid " " and resid 118 and name HG1 ))
)
3.300 3.300 0.000 peak 9548 weight 0.10000E+01 volume 0.17600E+01 ppm1 3.764 ppm2 2.040
ASSI (
(( segid " " and resid 118 and name HD2 ))
)(
(( segid " " and resid 118 and name HG2 ))
)
5.000 5.000 0.000 peak 9547 weight 0.10000E+01 volume 0.14790E+01 ppm1 3.767 ppm2 1.826
ASSI (
(( segid " " and resid 118 and name HG1 ))
)(
(( segid " " and resid 118 and name HA ))
)
5.000 5.000 0.000 peak 7511 weight 0.10000E+01 volume 0.56100E+00 ppm1 2.028 ppm2 4.581
ASSI (
(( segid " " and resid 118 and name HG1 ))
)(
(( segid " " and resid 118 and name HB1 ))
)
3.300 3.300 0.000 peak 7510 weight 0.10000E+01 volume 0.18440E+01 ppm1 2.027 ppm2 2.248
ASSI (
(( segid " " and resid 118 and name HG1 ))
)(
(( segid " " and resid 118 and name HG2 ))
)
2.700 2.700 0.000 peak 7508 weight 0.10000E+01 volume 0.62930E+01 ppm1 2.024 ppm2 1.811
ASSI (
(( segid " " and resid 118 and name HG1 ))
)(
(( segid " " and resid 119 and name HN ))
)
6.000 6.000 0.000 peak 7513 weight 0.10000E+01 volume 0.23100E+00 ppm1 2.029 ppm2 7.867
ASSI (
(( segid " " and resid 118 and name HG2 ))
)(
(( segid " " and resid 117 and name HA ))
)
5.000 5.000 0.000 peak 5132 weight 0.10000E+01 volume 0.30500E+00 ppm1 1.811 ppm2 5.345
ASSI (
(( segid " " and resid 118 and name HG2 ))
)(
(( segid " " and resid 118 and name HA ))
)
5.000 5.000 0.000 peak 7512 weight 0.10000E+01 volume 0.88100E+00 ppm1 1.811 ppm2 4.581
ASSI (
(( segid " " and resid 118 and name HG2 ))
)(
(( segid " " and resid 118 and name HB1 ))
)
5.000 5.000 0.000 peak 7509 weight 0.10000E+01 volume 0.12840E+01 ppm1 1.811 ppm2 2.253
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)
5.000 5.000 0.000 peak 8696 weight 0.10000E+01 volume 0.58100E+00 ppm1 3.350 ppm2 0.589
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)
5.000 5.000 0.000 peak 8713 weight 0.10000E+01 volume 0.10540E+01 ppm1 3.349 ppm2 0.478
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 71 and name HG ))
)
5.000 5.000 0.000 peak 5140 weight 0.10000E+01 volume 0.31300E+00 ppm1 3.349 ppm2 0.997
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 118 and name HA ))
)
6.000 6.000 0.000 peak 9550 weight 0.10000E+01 volume 0.64000E-01 ppm1 3.352 ppm2 4.583
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 119 and name HB2 ))
)
5.000 5.000 0.000 peak 9553 weight 0.10000E+01 volume 0.79200E+00 ppm1 3.350 ppm2 1.224
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 119 and name HN ))
)
5.000 5.000 0.000 peak 7333 weight 0.10000E+01 volume 0.47400E+00 ppm1 3.351 ppm2 7.864
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 120 and name HD1 ))
)
5.000 5.000 0.000 peak 5133 weight 0.10000E+01 volume 0.14910E+01 ppm1 3.351 ppm2 2.192
ASSI (
(( segid " " and resid 119 and name HA ))
)(
(( segid " " and resid 120 and name HD2 ))
)
3.300 3.300 0.000 peak 5138 weight 0.10000E+01 volume 0.17720E+01 ppm1 3.351 ppm2 2.046
ASSI (
(( segid " " and resid 119 and name HB1 ))
)(
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
)
3.300 3.300 0.000 peak 9564 weight 0.10000E+01 volume 0.15330E+01 ppm1 1.325 ppm2 0.460
ASSI (
(( segid " " and resid 119 and name HB1 ))
)(
(( segid " " and resid 119 and name HN ))
)
3.300 3.300 0.000 peak 6804 weight 0.10000E+01 volume 0.18210E+01 ppm1 1.324 ppm2 7.863
ASSI (
(( segid " " and resid 119 and name HB2 ))
)(
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)
5.000 5.000 0.000 peak 9566 weight 0.10000E+01 volume 0.13890E+01 ppm1 1.210 ppm2 0.552
ASSI (
(( segid " " and resid 119 and name HB2 ))
)(
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
)
3.300 3.300 0.000 peak 9565 weight 0.10000E+01 volume 0.16810E+01 ppm1 1.211 ppm2 0.461
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 71 and name HN ))
)
5.000 5.000 0.000 peak 9582 weight 0.10000E+01 volume 0.38900E+00 ppm1 0.554 ppm2 8.289
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 118 and name HG2 ))
)
5.000 5.000 0.000 peak 9593 weight 0.10000E+01 volume 0.35700E+00 ppm1 0.556 ppm2 1.822
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 119 and name HA ))
)
5.000 5.000 0.000 peak 5765 weight 0.10000E+01 volume 0.98500E+00 ppm1 0.555 ppm2 3.362
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 119 and name HB1 ))
)
2.700 2.700 0.000 peak 9594 weight 0.10000E+01 volume 0.31430E+01 ppm1 0.556 ppm2 1.343
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 119 and name HN ))
)
5.000 5.000 0.000 peak 9585 weight 0.10000E+01 volume 0.50800E+00 ppm1 0.555 ppm2 7.869
ASSI (
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)(
(( segid " " and resid 120 and name HD1 ))
)
5.000 5.000 0.000 peak 9590 weight 0.10000E+01 volume 0.62400E+00 ppm1 0.556 ppm2 2.204
ASSI (
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
)(
(( segid " " and resid 69 and name HN ))
)
6.000 6.000 0.000 peak 9595 weight 0.10000E+01 volume 0.76000E-01 ppm1 0.460 ppm2 9.617
ASSI (
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
)(
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)
5.000 5.000 0.000 peak 9598 weight 0.10000E+01 volume 0.82700E+00 ppm1 0.460 ppm2 6.696
ASSI (
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
)(
(( segid " " and resid 119 and name HA ))
)
5.000 5.000 0.000 peak 5769 weight 0.10000E+01 volume 0.77800E+00 ppm1 0.460 ppm2 3.362
ASSI (
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
)(
(( segid " " and resid 119 and name HN ))
)
6.000 6.000 0.000 peak 9596 weight 0.10000E+01 volume 0.24100E+00 ppm1 0.460 ppm2 7.867
ASSI (
(( segid " " and resid 119 and name HG ))
)(
(( segid " " and resid 119 and name HA ))
)
5.000 5.000 0.000 peak 9573 weight 0.10000E+01 volume 0.84100E+00 ppm1 1.403 ppm2 3.361
ASSI (
(( segid " " and resid 119 and name HG ))
)(
(( segid " " and resid 119 and name HN ))
)
3.300 3.300 0.000 peak 9568 weight 0.10000E+01 volume 0.16350E+01 ppm1 1.403 ppm2 7.865
ASSI (
(( segid " " and resid 120 and name HD1 ))
)(
(( segid " " and resid 120 and name HD2 ))
)
3.300 3.300 0.000 peak 9607 weight 0.10000E+01 volume 0.20410E+01 ppm1 2.187 ppm2 2.047
ASSI (
(( segid " " and resid 121 and name HA ))
)(
(( segid " " and resid 121 and name HB1 ))
)
3.300 3.300 0.000 peak 9615 weight 0.10000E+01 volume 0.20550E+01 ppm1 4.372 ppm2 1.933
ASSI (
(( segid " " and resid 121 and name HA ))
)(
(( segid " " and resid 121 and name HB2 ))
)
3.300 3.300 0.000 peak 9616 weight 0.10000E+01 volume 0.18680E+01 ppm1 4.372 ppm2 1.787
ASSI (
(( segid " " and resid 121 and name HA ))
)(
(( segid " " and resid 121 and name HG2 ))
OR
(( segid " " and resid 121 and name HG1 ))
)
2.700 2.700 0.000 peak 9614 weight 0.10000E+01 volume 0.31330E+01 ppm1 4.372 ppm2 2.187
ASSI (
(( segid " " and resid 121 and name HA ))
)(
(( segid " " and resid 122 and name HB1 ))
)
5.000 5.000 0.000 peak 9613 weight 0.10000E+01 volume 0.35600E+00 ppm1 4.374 ppm2 2.754
ASSI (
(( segid " " and resid 121 and name HA ))
)(
(( segid " " and resid 122 and name HN ))
)
2.700 2.700 0.000 peak 9611 weight 0.10000E+01 volume 0.54530E+01 ppm1 4.375 ppm2 8.778
ASSI (
(( segid " " and resid 121 and name HB1 ))
)(
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)
3.300 3.300 0.000 peak 9626 weight 0.10000E+01 volume 0.16280E+01 ppm1 1.917 ppm2 0.687
ASSI (
(( segid " " and resid 121 and name HB1 ))
)(
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG22))
OR
(( segid " " and resid 99 and name HG21))
)
5.000 5.000 0.000 peak 5477 weight 0.10000E+01 volume 0.14470E+01 ppm1 1.918 ppm2 0.829
ASSI (
(( segid " " and resid 121 and name HB1 ))
)(
(( segid " " and resid 99 and name HN ))
)
5.000 5.000 0.000 peak 9618 weight 0.10000E+01 volume 0.41300E+00 ppm1 1.917 ppm2 9.129
ASSI (
(( segid " " and resid 121 and name HB1 ))
)(
(( segid " " and resid 121 and name HN ))
)
3.300 3.300 0.000 peak 6268 weight 0.10000E+01 volume 0.16500E+01 ppm1 1.921 ppm2 7.958
ASSI (
(( segid " " and resid 121 and name HB1 ))
)(
(( segid " " and resid 122 and name HN ))
)
5.000 5.000 0.000 peak 9619 weight 0.10000E+01 volume 0.12650E+01 ppm1 1.918 ppm2 8.784
ASSI (
(( segid " " and resid 121 and name HB2 ))
)(
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)
5.000 5.000 0.000 peak 9627 weight 0.10000E+01 volume 0.98600E+00 ppm1 1.780 ppm2 0.687
ASSI (
(( segid " " and resid 121 and name HB2 ))
)(
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG22))
OR
(( segid " " and resid 99 and name HG21))
)
5.000 5.000 0.000 peak 9625 weight 0.10000E+01 volume 0.53600E+00 ppm1 1.780 ppm2 0.825
ASSI (
(( segid " " and resid 121 and name HB2 ))
)(
(( segid " " and resid 99 and name HN ))
)
5.000 5.000 0.000 peak 9617 weight 0.10000E+01 volume 0.35000E+00 ppm1 1.779 ppm2 9.130
ASSI (
(( segid " " and resid 121 and name HG2 ))
OR
(( segid " " and resid 121 and name HG1 ))
)(
(( segid " " and resid 121 and name HN ))
)
5.000 5.000 0.000 peak 9631 weight 0.10000E+01 volume 0.33500E+00 ppm1 2.171 ppm2 7.960
ASSI (
(( segid " " and resid 121 and name HG2 ))
OR
(( segid " " and resid 121 and name HG1 ))
)(
(( segid " " and resid 122 and name HN ))
)
6.000 6.000 0.000 peak 9630 weight 0.10000E+01 volume 0.18900E+00 ppm1 2.171 ppm2 8.773
ASSI (
(( segid " " and resid 122 and name HA ))
)(
(( segid " " and resid 122 and name HB1 ))
)
5.000 5.000 0.000 peak 7064 weight 0.10000E+01 volume 0.36300E+00 ppm1 5.263 ppm2 2.775
ASSI (
(( segid " " and resid 122 and name HA ))
)(
(( segid " " and resid 123 and name HB1 ))
)
6.000 6.000 0.000 peak 5145 weight 0.10000E+01 volume 0.14400E+00 ppm1 5.263 ppm2 1.660
ASSI (
(( segid " " and resid 122 and name HA ))
)(
(( segid " " and resid 123 and name HB2 ))
)
6.000 6.000 0.000 peak 5142 weight 0.10000E+01 volume 0.28800E+00 ppm1 5.263 ppm2 1.484
ASSI (
(( segid " " and resid 122 and name HA ))
)(
(( segid " " and resid 123 and name HN ))
)
2.700 2.700 0.000 peak 7110 weight 0.10000E+01 volume 0.30460E+01 ppm1 5.262 ppm2 9.097
ASSI (
(( segid " " and resid 122 and name HB1 ))
)(
(( segid " " and resid 122 and name HB2 ))
)
3.300 3.300 0.000 peak 9643 weight 0.10000E+01 volume 0.18850E+01 ppm1 2.754 ppm2 2.416
ASSI (
(( segid " " and resid 122 and name HB2 ))
)(
(( segid " " and resid 73 and name HB1 ))
)
5.000 5.000 0.000 peak 5480 weight 0.10000E+01 volume 0.43500E+00 ppm1 2.412 ppm2 2.139
ASSI (
(( segid " " and resid 122 and name HB2 ))
)(
(( segid " " and resid 73 and name HB2 ))
)
6.000 6.000 0.000 peak 9644 weight 0.10000E+01 volume 0.22000E+00 ppm1 2.416 ppm2 0.972
ASSI (
(( segid " " and resid 122 and name HB2 ))
)(
(( segid " " and resid 122 and name HA ))
)
5.000 5.000 0.000 peak 9641 weight 0.10000E+01 volume 0.39500E+00 ppm1 2.414 ppm2 5.279
ASSI (
(( segid " " and resid 122 and name HB2 ))
)(
(( segid " " and resid 122 and name HN ))
)
5.000 5.000 0.000 peak 9637 weight 0.10000E+01 volume 0.31900E+00 ppm1 2.415 ppm2 8.783
ASSI (
(( segid " " and resid 123 and name HA ))
)(
(( segid " " and resid 123 and name HB1 ))
)
5.000 5.000 0.000 peak 9646 weight 0.10000E+01 volume 0.13960E+01 ppm1 4.797 ppm2 1.673
ASSI (
(( segid " " and resid 123 and name HA ))
)(
(( segid " " and resid 123 and name HB2 ))
)
5.000 5.000 0.000 peak 9648 weight 0.10000E+01 volume 0.77600E+00 ppm1 4.797 ppm2 1.477
ASSI (
(( segid " " and resid 123 and name HA ))
)(
(( segid " " and resid 123 and name HN ))
)
6.000 6.000 0.000 peak 7215 weight 0.10000E+01 volume 0.25200E+00 ppm1 4.801 ppm2 9.092
ASSI (
(( segid " " and resid 123 and name HA ))
)(
(( segid " " and resid 124 and name HA ))
)
6.000 6.000 0.000 peak 5148 weight 0.10000E+01 volume 0.18100E+00 ppm1 4.797 ppm2 3.599
ASSI (
(( segid " " and resid 123 and name HA ))
)(
(( segid " " and resid 124 and name HG23))
OR
(( segid " " and resid 124 and name HG22))
OR
(( segid " " and resid 124 and name HG21))
)
5.000 5.000 0.000 peak 9647 weight 0.10000E+01 volume 0.50900E+00 ppm1 4.797 ppm2 0.663
ASSI (
(( segid " " and resid 123 and name HA ))
)(
(( segid " " and resid 124 and name HN ))
)
3.300 3.300 0.000 peak 9645 weight 0.10000E+01 volume 0.26920E+01 ppm1 4.799 ppm2 8.663
ASSI (
(( segid " " and resid 123 and name HB1 ))
)(
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)
5.000 5.000 0.000 peak 5481 weight 0.10000E+01 volume 0.93700E+00 ppm1 1.658 ppm2 0.704
ASSI (
(( segid " " and resid 123 and name HB1 ))
)(
(( segid " " and resid 123 and name HG1 ))
)
3.300 3.300 0.000 peak 9657 weight 0.10000E+01 volume 0.15740E+01 ppm1 1.658 ppm2 2.282
ASSI (
(( segid " " and resid 123 and name HB1 ))
)(
(( segid " " and resid 123 and name HG2 ))
)
3.300 3.300 0.000 peak 9661 weight 0.10000E+01 volume 0.25840E+01 ppm1 1.658 ppm2 2.187
ASSI (
(( segid " " and resid 123 and name HB1 ))
)(
(( segid " " and resid 123 and name HN ))
)
5.000 5.000 0.000 peak 9649 weight 0.10000E+01 volume 0.91500E+00 ppm1 1.659 ppm2 9.089
ASSI (
(( segid " " and resid 123 and name HB1 ))
)(
(( segid " " and resid 124 and name HN ))
)
5.000 5.000 0.000 peak 9651 weight 0.10000E+01 volume 0.61000E+00 ppm1 1.660 ppm2 8.661
ASSI (
(( segid " " and resid 123 and name HB2 ))
)(
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)
5.000 5.000 0.000 peak 5482 weight 0.10000E+01 volume 0.11960E+01 ppm1 1.465 ppm2 0.709
ASSI (
(( segid " " and resid 123 and name HB2 ))
)(
(( segid " " and resid 123 and name HG2 ))
)
3.300 3.300 0.000 peak 9660 weight 0.10000E+01 volume 0.16280E+01 ppm1 1.466 ppm2 2.189
ASSI (
(( segid " " and resid 123 and name HB2 ))
)(
(( segid " " and resid 123 and name HN ))
)
5.000 5.000 0.000 peak 9650 weight 0.10000E+01 volume 0.10040E+01 ppm1 1.465 ppm2 9.089
ASSI (
(( segid " " and resid 123 and name HB2 ))
)(
(( segid " " and resid 124 and name HN ))
)
5.000 5.000 0.000 peak 9652 weight 0.10000E+01 volume 0.43400E+00 ppm1 1.464 ppm2 8.660
ASSI (
(( segid " " and resid 123 and name HG1 ))
)(
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)
5.000 5.000 0.000 peak 5732 weight 0.10000E+01 volume 0.11800E+01 ppm1 2.281 ppm2 0.707
ASSI (
(( segid " " and resid 123 and name HG1 ))
)(
(( segid " " and resid 123 and name HA ))
)
5.000 5.000 0.000 peak 9056 weight 0.10000E+01 volume 0.80400E+00 ppm1 2.285 ppm2 4.814
ASSI (
(( segid " " and resid 123 and name HG1 ))
)(
(( segid " " and resid 123 and name HB2 ))
)
3.300 3.300 0.000 peak 9669 weight 0.10000E+01 volume 0.26020E+01 ppm1 2.282 ppm2 1.484
ASSI (
(( segid " " and resid 123 and name HG1 ))
)(
(( segid " " and resid 123 and name HN ))
)
5.000 5.000 0.000 peak 9662 weight 0.10000E+01 volume 0.41400E+00 ppm1 2.282 ppm2 9.093
ASSI (
(( segid " " and resid 123 and name HG1 ))
)(
(( segid " " and resid 124 and name HN ))
)
5.000 5.000 0.000 peak 9665 weight 0.10000E+01 volume 0.67100E+00 ppm1 2.282 ppm2 8.663
ASSI (
(( segid " " and resid 123 and name HG2 ))
)(
(( segid " " and resid 123 and name HA ))
)
5.000 5.000 0.000 peak 9668 weight 0.10000E+01 volume 0.87600E+00 ppm1 2.195 ppm2 4.813
ASSI (
(( segid " " and resid 123 and name HG2 ))
)(
(( segid " " and resid 123 and name HN ))
)
5.000 5.000 0.000 peak 9663 weight 0.10000E+01 volume 0.42300E+00 ppm1 2.196 ppm2 9.091
ASSI (
(( segid " " and resid 123 and name HG2 ))
)(
(( segid " " and resid 124 and name HN ))
)
5.000 5.000 0.000 peak 9664 weight 0.10000E+01 volume 0.74600E+00 ppm1 2.196 ppm2 8.664
ASSI (
(( segid " " and resid 124 and name HA ))
)(
(( segid " " and resid 97 and name HN ))
)
6.000 6.000 0.000 peak 9671 weight 0.10000E+01 volume 0.24800E+00 ppm1 3.591 ppm2 9.712
ASSI (
(( segid " " and resid 124 and name HA ))
)(
(( segid " " and resid 124 and name HG11))
)
5.000 5.000 0.000 peak 9676 weight 0.10000E+01 volume 0.62300E+00 ppm1 3.591 ppm2 1.110
ASSI (
(( segid " " and resid 124 and name HA ))
)(
(( segid " " and resid 124 and name HG12))
)
5.000 5.000 0.000 peak 9677 weight 0.10000E+01 volume 0.62800E+00 ppm1 3.591 ppm2 0.830
ASSI (
(( segid " " and resid 124 and name HA ))
)(
(( segid " " and resid 124 and name HG23))
OR
(( segid " " and resid 124 and name HG22))
OR
(( segid " " and resid 124 and name HG21))
)
3.300 3.300 0.000 peak 9678 weight 0.10000E+01 volume 0.19100E+01 ppm1 3.590 ppm2 0.662
ASSI (
(( segid " " and resid 124 and name HA ))
)(
(( segid " " and resid 124 and name HN ))
)
5.000 5.000 0.000 peak 9672 weight 0.10000E+01 volume 0.60100E+00 ppm1 3.591 ppm2 8.667
ASSI (
(( segid " " and resid 124 and name HA ))
)(
(( segid " " and resid 125 and name HB2 ))
OR
(( segid " " and resid 125 and name HB1 ))
)
5.000 5.000 0.000 peak 5152 weight 0.10000E+01 volume 0.39500E+00 ppm1 3.589 ppm2 1.292
ASSI (
(( segid " " and resid 124 and name HA ))
)(
(( segid " " and resid 125 and name HN ))
)
3.300 3.300 0.000 peak 9673 weight 0.10000E+01 volume 0.25200E+01 ppm1 3.590 ppm2 7.814
ASSI (
(( segid " " and resid 124 and name HB ))
)(
(( segid " " and resid 96 and name HA ))
)
6.000 6.000 0.000 peak 9682 weight 0.10000E+01 volume 0.13000E+00 ppm1 1.522 ppm2 5.096
ASSI (
(( segid " " and resid 124 and name HB ))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)
6.000 6.000 0.000 peak 9681 weight 0.10000E+01 volume 0.29000E+00 ppm1 1.520 ppm2 6.715
ASSI (
(( segid " " and resid 124 and name HB ))
)(
(( segid " " and resid 123 and name HA ))
)
5.000 5.000 0.000 peak 5483 weight 0.10000E+01 volume 0.56100E+00 ppm1 1.517 ppm2 4.812
ASSI (
(( segid " " and resid 124 and name HB ))
)(
(( segid " " and resid 124 and name HA ))
)
3.300 3.300 0.000 peak 9683 weight 0.10000E+01 volume 0.15030E+01 ppm1 1.519 ppm2 3.596
ASSI (
(( segid " " and resid 124 and name HB ))
)(
(( segid " " and resid 124 and name HD13))
OR
(( segid " " and resid 124 and name HD12))
OR
(( segid " " and resid 124 and name HD11))
)
5.000 5.000 0.000 peak 9687 weight 0.10000E+01 volume 0.11860E+01 ppm1 1.518 ppm2 0.583
ASSI (
(( segid " " and resid 124 and name HB ))
)(
(( segid " " and resid 124 and name HG11))
)
5.000 5.000 0.000 peak 9684 weight 0.10000E+01 volume 0.10890E+01 ppm1 1.519 ppm2 1.108
ASSI (
(( segid " " and resid 124 and name HB ))
)(
(( segid " " and resid 124 and name HG12))
)
5.000 5.000 0.000 peak 9685 weight 0.10000E+01 volume 0.63700E+00 ppm1 1.522 ppm2 0.827
ASSI (
(( segid " " and resid 124 and name HB ))
)(
(( segid " " and resid 124 and name HG23))
OR
(( segid " " and resid 124 and name HG22))
OR
(( segid " " and resid 124 and name HG21))
)
3.300 3.300 0.000 peak 9686 weight 0.10000E+01 volume 0.23750E+01 ppm1 1.519 ppm2 0.669
ASSI (
(( segid " " and resid 124 and name HB ))
)(
(( segid " " and resid 124 and name HN ))
)
3.300 3.300 0.000 peak 9679 weight 0.10000E+01 volume 0.23930E+01 ppm1 1.519 ppm2 8.665
ASSI (
(( segid " " and resid 124 and name HB ))
)(
(( segid " " and resid 125 and name HN ))
)
5.000 5.000 0.000 peak 9680 weight 0.10000E+01 volume 0.36500E+00 ppm1 1.519 ppm2 7.818
ASSI (
(( segid " " and resid 124 and name HD13))
OR
(( segid " " and resid 124 and name HD12))
OR
(( segid " " and resid 124 and name HD11))
)(
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)
5.000 5.000 0.000 peak 9713 weight 0.10000E+01 volume 0.10560E+01 ppm1 0.570 ppm2 7.129
ASSI (
(( segid " " and resid 124 and name HD13))
OR
(( segid " " and resid 124 and name HD12))
OR
(( segid " " and resid 124 and name HD11))
)(
(( segid " " and resid 96 and name HN ))
)
6.000 6.000 0.000 peak 9711 weight 0.10000E+01 volume 0.13200E+00 ppm1 0.570 ppm2 8.158
ASSI (
(( segid " " and resid 124 and name HD13))
OR
(( segid " " and resid 124 and name HD12))
OR
(( segid " " and resid 124 and name HD11))
)(
(( segid " " and resid 124 and name HA ))
)
5.000 5.000 0.000 peak 9716 weight 0.10000E+01 volume 0.50700E+00 ppm1 0.572 ppm2 3.600
ASSI (
(( segid " " and resid 124 and name HD13))
OR
(( segid " " and resid 124 and name HD12))
OR
(( segid " " and resid 124 and name HD11))
)(
(( segid " " and resid 124 and name HG11))
)
2.700 2.700 0.000 peak 9718 weight 0.10000E+01 volume 0.37770E+01 ppm1 0.572 ppm2 1.109
ASSI (
(( segid " " and resid 124 and name HD13))
OR
(( segid " " and resid 124 and name HD12))
OR
(( segid " " and resid 124 and name HD11))
)(
(( segid " " and resid 124 and name HG12))
)
2.700 2.700 0.000 peak 9719 weight 0.10000E+01 volume 0.70840E+01 ppm1 0.572 ppm2 0.828
ASSI (
(( segid " " and resid 124 and name HD13))
OR
(( segid " " and resid 124 and name HD12))
OR
(( segid " " and resid 124 and name HD11))
)(
(( segid " " and resid 124 and name HN ))
)
5.000 5.000 0.000 peak 6295 weight 0.10000E+01 volume 0.36700E+00 ppm1 0.570 ppm2 8.664
ASSI (
(( segid " " and resid 124 and name HD13))
OR
(( segid " " and resid 124 and name HD12))
OR
(( segid " " and resid 124 and name HD11))
)(
(( segid " " and resid 125 and name HN ))
)
5.000 5.000 0.000 peak 9712 weight 0.10000E+01 volume 0.47100E+00 ppm1 0.571 ppm2 7.819
ASSI (
(( segid " " and resid 124 and name HG11))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)
6.000 6.000 0.000 peak 9695 weight 0.10000E+01 volume 0.22500E+00 ppm1 1.099 ppm2 6.722
ASSI (
(( segid " " and resid 124 and name HG11))
)(
(( segid " " and resid 124 and name HG12))
)
2.700 2.700 0.000 peak 9700 weight 0.10000E+01 volume 0.47220E+01 ppm1 1.103 ppm2 0.822
ASSI (
(( segid " " and resid 124 and name HG11))
)(
(( segid " " and resid 124 and name HN ))
)
5.000 5.000 0.000 peak 9688 weight 0.10000E+01 volume 0.52300E+00 ppm1 1.101 ppm2 8.666
ASSI (
(( segid " " and resid 124 and name HG11))
)(
(( segid " " and resid 125 and name HN ))
)
5.000 5.000 0.000 peak 9692 weight 0.10000E+01 volume 0.44200E+00 ppm1 1.100 ppm2 7.822
ASSI (
(( segid " " and resid 124 and name HG12))
)(
(( segid " " and resid 124 and name HN ))
)
5.000 5.000 0.000 peak 9689 weight 0.10000E+01 volume 0.38100E+00 ppm1 0.822 ppm2 8.666
ASSI (
(( segid " " and resid 124 and name HG12))
)(
(( segid " " and resid 125 and name HN ))
)
5.000 5.000 0.000 peak 9693 weight 0.10000E+01 volume 0.39600E+00 ppm1 0.820 ppm2 7.820
ASSI (
(( segid " " and resid 124 and name HG23))
OR
(( segid " " and resid 124 and name HG22))
OR
(( segid " " and resid 124 and name HG21))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)
5.000 5.000 0.000 peak 9706 weight 0.10000E+01 volume 0.42000E+00 ppm1 0.656 ppm2 6.721
ASSI (
(( segid " " and resid 124 and name HG23))
OR
(( segid " " and resid 124 and name HG22))
OR
(( segid " " and resid 124 and name HG21))
)(
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)
5.000 5.000 0.000 peak 9704 weight 0.10000E+01 volume 0.63300E+00 ppm1 0.655 ppm2 7.138
ASSI (
(( segid " " and resid 124 and name HG23))
OR
(( segid " " and resid 124 and name HG22))
OR
(( segid " " and resid 124 and name HG21))
)(
(( segid " " and resid 125 and name HA ))
)
5.000 5.000 0.000 peak 9707 weight 0.10000E+01 volume 0.61500E+00 ppm1 0.655 ppm2 4.205
ASSI (
(( segid " " and resid 124 and name HG23))
OR
(( segid " " and resid 124 and name HG22))
OR
(( segid " " and resid 124 and name HG21))
)(
(( segid " " and resid 125 and name HN ))
)
5.000 5.000 0.000 peak 9703 weight 0.10000E+01 volume 0.12850E+01 ppm1 0.656 ppm2 7.824
ASSI (
(( segid " " and resid 125 and name HG ))
)(
(( segid " " and resid 96 and name HN ))
)
5.000 5.000 0.000 peak 7032 weight 0.10000E+01 volume 0.64000E+00 ppm1 1.278 ppm2 8.172
ASSI (
(( segid " " and resid 52 and name HN ))
)(
(( segid " " and resid 50 and name HN ))
)
5.000 5.000 0.000 peak 6551 weight 0.10000E+01 volume 0.36100E+00 ppm1 7.917 ppm2 8.149
ASSI (
(( segid " " and resid 112 and name HN ))
)(
(( segid " " and resid 109 and name HG2 ))
OR
(( segid " " and resid 109 and name HG1 ))
)
6.000 6.000 0.000 peak 7287 weight 0.10000E+01 volume 0.18900E+00 ppm1 7.733 ppm2 2.144
ASSI (
(( segid " " and resid 3 and name HN ))
)(
(( segid " " and resid 52 and name HA2 ))
OR
(( segid " " and resid 6 and name HD1 ))
OR
(( segid " " and resid 5 and name HD1 ))
OR
(( segid " " and resid 5 and name HA ))
)
6.000 6.000 0.000 peak 6272 weight 0.10000E+01 volume 0.22700E+00 ppm1 8.527 ppm2 3.437
ASSI (
(( segid " " and resid 49 and name HD22))
OR
(( segid " " and resid 49 and name HD21))
)(
(( segid " " and resid 51 and name HA ))
OR
(( segid " " and resid 49 and name HA ))
)
5.000 5.000 0.000 peak 8323 weight 0.10000E+01 volume 0.36700E+00 ppm1 7.135 ppm2 4.783
ASSI (
(( segid " " and resid 58 and name HN ))
)(
(( segid " " and resid 57 and name HN ))
)
5.000 5.000 0.000 peak 6617 weight 0.10000E+01 volume 0.44700E+00 ppm1 8.266 ppm2 8.529
ASSI (
(( segid " " and resid 101 and name HN ))
)(
(( segid " " and resid 100 and name HA2 ))
)
3.300 3.300 0.000 peak 6454 weight 0.10000E+01 volume 0.22770E+01 ppm1 8.141 ppm2 3.594
ASSI (
(( segid " " and resid 101 and name HN ))
)(
(( segid " " and resid 101 and name HA ))
OR
(( segid " " and resid 100 and name HA1 ))
)
2.700 2.700 0.000 peak 6457 weight 0.10000E+01 volume 0.32240E+01 ppm1 8.139 ppm2 4.459
ASSI (
(( segid " " and resid 37 and name HN ))
)(
(( segid " " and resid 36 and name HN ))
)
2.700 2.700 0.000 peak 6421 weight 0.10000E+01 volume 0.40980E+01 ppm1 8.128 ppm2 8.283
ASSI (
(( segid " " and resid 37 and name HN ))
)(
(( segid " " and resid 61 and name HN ))
OR
(( segid " " and resid 38 and name HN ))
)
6.000 6.000 0.000 peak 6422 weight 0.10000E+01 volume 0.24200E+00 ppm1 8.129 ppm2 9.230
ASSI (
(( segid " " and resid 61 and name HN ))
OR
(( segid " " and resid 38 and name HN ))
)(
(( segid " " and resid 40 and name HB2 ))
OR
(( segid " " and resid 37 and name HB1 ))
)
5.000 5.000 0.000 peak 6427 weight 0.10000E+01 volume 0.36300E+00 ppm1 9.246 ppm2 3.412
ASSI (
(( segid " " and resid 16 and name HN ))
)(
(( segid " " and resid 15 and name HA ))
)
3.300 3.300 0.000 peak 7798 weight 0.10000E+01 volume 0.22240E+01 ppm1 7.807 ppm2 4.540
ASSI (
(( segid " " and resid 97 and name HN ))
)(
(( segid " " and resid 123 and name HA ))
OR
(( segid " " and resid 97 and name HA ))
)
3.300 3.300 0.000 peak 7059 weight 0.10000E+01 volume 0.19000E+01 ppm1 9.714 ppm2 4.839
ASSI (
(( segid " " and resid 56 and name HN ))
)(
(( segid " " and resid 57 and name HN ))
OR
(( segid " " and resid 47 and name HN ))
)
5.000 5.000 0.000 peak 6602 weight 0.10000E+01 volume 0.31700E+00 ppm1 7.808 ppm2 8.519
ASSI (
(( segid " " and resid 122 and name HN ))
)(
(( segid " " and resid 124 and name HB ))
OR
(( segid " " and resid 98 and name HB1 ))
OR
(( segid " " and resid 72 and name HG2 ))
OR
(( segid " " and resid 72 and name HG1 ))
OR
(( segid " " and resid 72 and name HB2 ))
OR
(( segid " " and resid 71 and name HB1 ))
)
5.000 5.000 0.000 peak 7352 weight 0.10000E+01 volume 0.62400E+00 ppm1 8.771 ppm2 1.521
ASSI (
(( segid " " and resid 30 and name HN ))
)(
(( segid " " and resid 17 and name HN ))
OR
(( segid " " and resid 14 and name HN ))
)
6.000 6.000 0.000 peak 6381 weight 0.10000E+01 volume 0.24300E+00 ppm1 8.739 ppm2 8.191
ASSI (
(( segid " " and resid 46 and name HN ))
)(
(( segid " " and resid 29 and name HB2 ))
)
5.000 5.000 0.000 peak 6471 weight 0.10000E+01 volume 0.34000E+00 ppm1 8.482 ppm2 1.317
ASSI (
(( segid " " and resid 46 and name HN ))
)(
(( segid " " and resid 46 and name HG ))
OR
(( segid " " and resid 29 and name HG ))
)
5.000 5.000 0.000 peak 6472 weight 0.10000E+01 volume 0.41600E+00 ppm1 8.482 ppm2 1.438
ASSI (
(( segid " " and resid 46 and name HN ))
)(
(( segid " " and resid 29 and name HB1 ))
)
5.000 5.000 0.000 peak 6473 weight 0.10000E+01 volume 0.34400E+00 ppm1 8.482 ppm2 1.613
ASSI (
(( segid " " and resid 46 and name HN ))
)(
(( segid " " and resid 28 and name HA ))
)
6.000 6.000 0.000 peak 6476 weight 0.10000E+01 volume 0.29900E+00 ppm1 8.484 ppm2 5.420
ASSI (
(( segid " " and resid 106 and name HN ))
)(
(( segid " " and resid 115 and name HZ3 ))
)
5.000 5.000 0.000 peak 9504 weight 0.10000E+01 volume 0.10170E+01 ppm1 8.366 ppm2 6.845
ASSI (
(( segid " " and resid 106 and name HN ))
OR
(( segid " " and resid 31 and name HN ))
)(
(( segid " " and resid 106 and name HB1 ))
OR
(( segid " " and resid 31 and name HB1 ))
)
3.300 3.300 0.000 peak 7388 weight 0.10000E+01 volume 0.19020E+01 ppm1 8.379 ppm2 2.627
ASSI (
(( segid " " and resid 106 and name HN ))
OR
(( segid " " and resid 44 and name HN ))
)(
(( segid " " and resid 85 and name HA2 ))
OR
(( segid " " and resid 44 and name HA ))
)
5.000 5.000 0.000 peak 5955 weight 0.10000E+01 volume 0.86400E+00 ppm1 8.379 ppm2 3.015
ASSI (
(( segid " " and resid 74 and name HN ))
)(
(( segid " " and resid 71 and name HB2 ))
)
6.000 6.000 0.000 peak 6760 weight 0.10000E+01 volume 0.25400E+00 ppm1 7.631 ppm2 0.734
ASSI (
(( segid " " and resid 78 and name HN ))
OR
(( segid " " and resid 48 and name HN ))
)(
(( segid " " and resid 79 and name HN ))
OR
(( segid " " and resid 27 and name HN ))
)
5.000 5.000 0.000 peak 6353 weight 0.10000E+01 volume 0.55400E+00 ppm1 8.511 ppm2 7.866
ASSI (
(( segid " " and resid 54 and name HE1 ))
)(
(( segid " " and resid 48 and name HA ))
OR
(( segid " " and resid 4 and name HD1 ))
OR
(( segid " " and resid 3 and name HA2 ))
)
6.000 6.000 0.000 peak 6692 weight 0.10000E+01 volume 0.13600E+00 ppm1 9.999 ppm2 3.958
ASSI (
(( segid " " and resid 1 and name HN ))
)(
(( segid " " and resid 1 and name HA ))
)
5.000 5.000 0.000 peak 6152 weight 0.10000E+01 volume 0.84800E+00 ppm1 8.259 ppm2 4.886
ASSI (
(( segid " " and resid 1 and name HN ))
)(
(( segid " " and resid 1 and name HB2 ))
)
5.000 5.000 0.000 peak 6149 weight 0.10000E+01 volume 0.98000E+00 ppm1 8.261 ppm2 2.600
ASSI (
(( segid " " and resid 1 and name HD21))
)(
(( segid " " and resid 24 and name HA ))
)
6.000 6.000 0.000 peak 7525 weight 0.10000E+01 volume 0.14900E+00 ppm1 7.258 ppm2 4.395
ASSI (
(( segid " " and resid 1 and name HD21))
)(
(( segid " " and resid 22 and name HA ))
OR
(( segid " " and resid 1 and name HA ))
)
6.000 6.000 0.000 peak 7528 weight 0.10000E+01 volume 0.26900E+00 ppm1 7.257 ppm2 4.897
ASSI (
(( segid " " and resid 1 and name HD22))
)(
(( segid " " and resid 24 and name HA ))
)
6.000 6.000 0.000 peak 7526 weight 0.10000E+01 volume 0.20100E+00 ppm1 6.923 ppm2 4.394
ASSI (
(( segid " " and resid 2 and name HN ))
)(
(( segid " " and resid 24 and name HA ))
)
5.000 5.000 0.000 peak 6159 weight 0.10000E+01 volume 0.39600E+00 ppm1 8.837 ppm2 4.393
ASSI (
(( segid " " and resid 3 and name HN ))
)(
(( segid " " and resid 54 and name HD1 ))
OR
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
OR
(( segid " " and resid 22 and name HN ))
OR
(( segid " " and resid 1 and name HD21))
)
6.000 6.000 0.000 peak 6274 weight 0.10000E+01 volume 0.23500E+00 ppm1 8.526 ppm2 7.284
ASSI (
(( segid " " and resid 8 and name HN ))
)(
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)
6.000 6.000 0.000 peak 6278 weight 0.10000E+01 volume 0.13600E+00 ppm1 8.425 ppm2 6.226
ASSI (
(( segid " " and resid 44 and name HN ))
OR
(( segid " " and resid 31 and name HN ))
)(
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
OR
(( segid " " and resid 5 and name HG2 ))
)
5.000 5.000 0.000 peak 4944 weight 0.10000E+01 volume 0.11110E+01 ppm1 8.382 ppm2 0.918
ASSI (
(( segid " " and resid 44 and name HN ))
OR
(( segid " " and resid 31 and name HN ))
)(
(( segid " " and resid 43 and name HG23))
OR
(( segid " " and resid 43 and name HG22))
OR
(( segid " " and resid 43 and name HG21))
OR
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
OR
(( segid " " and resid 12 and name HB1 ))
OR
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)
5.000 5.000 0.000 peak 4945 weight 0.10000E+01 volume 0.11660E+01 ppm1 8.383 ppm2 1.197
ASSI (
(( segid " " and resid 3 and name HN ))
)(
(( segid " " and resid 52 and name HA1 ))
OR
(( segid " " and resid 4 and name HD2 ))
)
5.000 5.000 0.000 peak 5781 weight 0.10000E+01 volume 0.40100E+00 ppm1 8.527 ppm2 3.641
ASSI (
(( segid " " and resid 11 and name HN ))
)(
(( segid " " and resid 34 and name HA ))
OR
(( segid " " and resid 8 and name HA ))
)
6.000 6.000 0.000 peak 6294 weight 0.10000E+01 volume 0.19600E+00 ppm1 6.451 ppm2 4.358
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)
6.000 6.000 0.000 peak 6301 weight 0.10000E+01 volume 0.19100E+00 ppm1 8.627 ppm2 6.235
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 12 and name HA ))
)
5.000 5.000 0.000 peak 6193 weight 0.10000E+01 volume 0.85300E+00 ppm1 8.624 ppm2 4.586
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
OR
(( segid " " and resid 11 and name HN ))
)
5.000 5.000 0.000 peak 5814 weight 0.10000E+01 volume 0.65600E+00 ppm1 8.626 ppm2 6.499
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 31 and name HB1 ))
)
5.000 5.000 0.000 peak 6298 weight 0.10000E+01 volume 0.43800E+00 ppm1 8.626 ppm2 2.605
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 31 and name HB2 ))
OR
(( segid " " and resid 10 and name HB1 ))
)
5.000 5.000 0.000 peak 5817 weight 0.10000E+01 volume 0.45000E+00 ppm1 8.625 ppm2 2.512
ASSI (
(( segid " " and resid 14 and name HN ))
)(
(( segid " " and resid 30 and name HA ))
OR
(( segid " " and resid 15 and name HA ))
)
5.000 5.000 0.000 peak 6306 weight 0.10000E+01 volume 0.45300E+00 ppm1 8.218 ppm2 4.535
ASSI (
(( segid " " and resid 14 and name HN ))
)(
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)
6.000 6.000 0.000 peak 6307 weight 0.10000E+01 volume 0.20700E+00 ppm1 8.220 ppm2 6.525
ASSI (
(( segid " " and resid 15 and name HN ))
)(
(( segid " " and resid 13 and name HA ))
)
5.000 5.000 0.000 peak 6209 weight 0.10000E+01 volume 0.43600E+00 ppm1 8.128 ppm2 3.114
ASSI (
(( segid " " and resid 17 and name HN ))
)(
(( segid " " and resid 17 and name HB ))
OR
(( segid " " and resid 16 and name HA ))
)
2.700 2.700 0.000 peak 6214 weight 0.10000E+01 volume 0.36730E+01 ppm1 8.203 ppm2 4.131
ASSI (
(( segid " " and resid 18 and name HN ))
)(
(( segid " " and resid 18 and name HB2 ))
)
2.700 2.700 0.000 peak 6217 weight 0.10000E+01 volume 0.32590E+01 ppm1 8.053 ppm2 1.636
ASSI (
(( segid " " and resid 18 and name HN ))
)(
(( segid " " and resid 18 and name HB1 ))
)
3.300 3.300 0.000 peak 6220 weight 0.10000E+01 volume 0.27930E+01 ppm1 8.052 ppm2 1.692
ASSI (
(( segid " " and resid 19 and name HN ))
)(
(( segid " " and resid 20 and name HA ))
OR
(( segid " " and resid 19 and name HB ))
OR
(( segid " " and resid 19 and name HA ))
)
3.300 3.300 0.000 peak 6227 weight 0.10000E+01 volume 0.19990E+01 ppm1 8.086 ppm2 4.274
ASSI (
(( segid " " and resid 21 and name HN ))
)(
(( segid " " and resid 22 and name HG2 ))
OR
(( segid " " and resid 22 and name HG1 ))
OR
(( segid " " and resid 22 and name HB2 ))
OR
(( segid " " and resid 22 and name HB1 ))
)
5.000 5.000 0.000 peak 5851 weight 0.10000E+01 volume 0.47900E+00 ppm1 8.148 ppm2 1.521
ASSI (
(( segid " " and resid 21 and name HN ))
)(
(( segid " " and resid 21 and name HB ))
OR
(( segid " " and resid 20 and name HA ))
)
2.700 2.700 0.000 peak 6239 weight 0.10000E+01 volume 0.43950E+01 ppm1 8.145 ppm2 4.256
ASSI (
(( segid " " and resid 23 and name HN ))
)(
(( segid " " and resid 54 and name HZ2 ))
OR
(( segid " " and resid 1 and name HD22))
)
6.000 6.000 0.000 peak 6252 weight 0.10000E+01 volume 0.27500E+00 ppm1 8.825 ppm2 6.940
ASSI (
(( segid " " and resid 24 and name HN ))
)(
(( segid " " and resid 23 and name HB2 ))
OR
(( segid " " and resid 1 and name HB1 ))
)
5.000 5.000 0.000 peak 7230 weight 0.10000E+01 volume 0.74100E+00 ppm1 8.544 ppm2 2.708
ASSI (
(( segid " " and resid 24 and name HN ))
)(
(( segid " " and resid 24 and name HB2 ))
OR
(( segid " " and resid 24 and name HB1 ))
)
3.300 3.300 0.000 peak 6256 weight 0.10000E+01 volume 0.24180E+01 ppm1 8.545 ppm2 1.729
ASSI (
(( segid " " and resid 25 and name HN ))
)(
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
OR
(( segid " " and resid 24 and name HG2 ))
OR
(( segid " " and resid 24 and name HG1 ))
)
5.000 5.000 0.000 peak 5876 weight 0.10000E+01 volume 0.54300E+00 ppm1 8.602 ppm2 1.477
ASSI (
(( segid " " and resid 25 and name HN ))
)(
(( segid " " and resid 24 and name HA ))
)
2.700 2.700 0.000 peak 5869 weight 0.10000E+01 volume 0.32460E+01 ppm1 8.602 ppm2 4.382
ASSI (
(( segid " " and resid 26 and name HN ))
)(
(( segid " " and resid 26 and name HA2 ))
OR
(( segid " " and resid 25 and name HA ))
)
2.700 2.700 0.000 peak 6330 weight 0.10000E+01 volume 0.36680E+01 ppm1 9.168 ppm2 3.504
ASSI (
(( segid " " and resid 27 and name HN ))
)(
(( segid " " and resid 24 and name HB2 ))
)
5.000 5.000 0.000 peak 6342 weight 0.10000E+01 volume 0.50300E+00 ppm1 7.868 ppm2 1.707
ASSI (
(( segid " " and resid 27 and name HN ))
)(
(( segid " " and resid 48 and name HN ))
OR
(( segid " " and resid 24 and name HN ))
)
5.000 5.000 0.000 peak 6352 weight 0.10000E+01 volume 0.63600E+00 ppm1 7.870 ppm2 8.524
ASSI (
(( segid " " and resid 27 and name HN ))
)(
(( segid " " and resid 47 and name HG23))
OR
(( segid " " and resid 47 and name HG22))
OR
(( segid " " and resid 47 and name HG21))
OR
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)
5.000 5.000 0.000 peak 6335 weight 0.10000E+01 volume 0.65400E+00 ppm1 7.870 ppm2 1.019
ASSI (
(( segid " " and resid 27 and name HN ))
)(
(( segid " " and resid 24 and name HG2 ))
)
5.000 5.000 0.000 peak 6339 weight 0.10000E+01 volume 0.12140E+01 ppm1 7.870 ppm2 1.400
ASSI (
(( segid " " and resid 29 and name HN ))
)(
(( segid " " and resid 46 and name HB1 ))
OR
(( segid " " and resid 30 and name HB1 ))
)
6.000 6.000 0.000 peak 6367 weight 0.10000E+01 volume 0.22900E+00 ppm1 9.266 ppm2 1.845
ASSI (
(( segid " " and resid 29 and name HN ))
)(
(( segid " " and resid 54 and name HH2 ))
OR
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)
6.000 6.000 0.000 peak 6374 weight 0.10000E+01 volume 0.25500E+00 ppm1 9.268 ppm2 6.223
ASSI (
(( segid " " and resid 29 and name HN ))
)(
(( segid " " and resid 54 and name HZ3 ))
)
6.000 6.000 0.000 peak 6375 weight 0.10000E+01 volume 0.26800E+00 ppm1 9.267 ppm2 6.694
ASSI (
(( segid " " and resid 29 and name HN ))
)(
(( segid " " and resid 29 and name HG ))
OR
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)
5.000 5.000 0.000 peak 7946 weight 0.10000E+01 volume 0.10130E+01 ppm1 9.269 ppm2 1.507
ASSI (
(( segid " " and resid 30 and name HN ))
)(
(( segid " " and resid 30 and name HA ))
)
5.000 5.000 0.000 peak 6379 weight 0.10000E+01 volume 0.78900E+00 ppm1 8.741 ppm2 4.503
ASSI (
(( segid " " and resid 32 and name HN ))
)(
(( segid " " and resid 45 and name HN ))
OR
(( segid " " and resid 31 and name HD2 ))
OR
(( segid " " and resid 31 and name HD1 ))
)
5.000 5.000 0.000 peak 5908 weight 0.10000E+01 volume 0.46400E+00 ppm1 8.929 ppm2 6.513
ASSI (
(( segid " " and resid 34 and name HN ))
)(
(( segid " " and resid 37 and name HB1 ))
)
6.000 6.000 0.000 peak 6403 weight 0.10000E+01 volume 0.28900E+00 ppm1 7.387 ppm2 3.420
ASSI (
(( segid " " and resid 37 and name HN ))
)(
(( segid " " and resid 36 and name HA2 ))
OR
(( segid " " and resid 33 and name HB1 ))
)
5.000 5.000 0.000 peak 5938 weight 0.10000E+01 volume 0.65000E+00 ppm1 8.125 ppm2 3.230
ASSI (
(( segid " " and resid 37 and name HN ))
)(
(( segid " " and resid 38 and name HA ))
OR
(( segid " " and resid 35 and name HA ))
)
5.000 5.000 0.000 peak 5934 weight 0.10000E+01 volume 0.94200E+00 ppm1 8.128 ppm2 4.345
ASSI (
(( segid " " and resid 40 and name HN ))
)(
(( segid " " and resid 61 and name HB ))
OR
(( segid " " and resid 39 and name HG2 ))
OR
(( segid " " and resid 39 and name HG1 ))
OR
(( segid " " and resid 38 and name HB ))
)
5.000 5.000 0.000 peak 5948 weight 0.10000E+01 volume 0.79000E+00 ppm1 8.429 ppm2 1.758
ASSI (
(( segid " " and resid 40 and name HN ))
)(
(( segid " " and resid 60 and name HB2 ))
OR
(( segid " " and resid 60 and name HB1 ))
OR
(( segid " " and resid 59 and name HB2 ))
)
6.000 6.000 0.000 peak 6434 weight 0.10000E+01 volume 0.26100E+00 ppm1 8.432 ppm2 2.964
ASSI (
(( segid " " and resid 40 and name HN ))
)(
(( segid " " and resid 39 and name HA ))
)
3.300 3.300 0.000 peak 5950 weight 0.10000E+01 volume 0.20150E+01 ppm1 8.433 ppm2 4.635
ASSI (
(( segid " " and resid 43 and name HN ))
)(
(( segid " " and resid 43 and name HB ))
)
3.300 3.300 0.000 peak 6462 weight 0.10000E+01 volume 0.15310E+01 ppm1 8.262 ppm2 4.118
ASSI (
(( segid " " and resid 43 and name HN ))
)(
(( segid " " and resid 42 and name HA ))
)
3.300 3.300 0.000 peak 6463 weight 0.10000E+01 volume 0.21550E+01 ppm1 8.262 ppm2 4.348
ASSI (
(( segid " " and resid 43 and name HN ))
)(
(( segid " " and resid 59 and name HA ))
OR
(( segid " " and resid 39 and name HA ))
)
5.000 5.000 0.000 peak 5954 weight 0.10000E+01 volume 0.61500E+00 ppm1 8.261 ppm2 4.646
ASSI (
(( segid " " and resid 46 and name HN ))
)(
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)
6.000 6.000 0.000 peak 6466 weight 0.10000E+01 volume 0.23200E+00 ppm1 8.481 ppm2 0.024
ASSI (
(( segid " " and resid 46 and name HN ))
)(
(( segid " " and resid 43 and name HG23))
OR
(( segid " " and resid 43 and name HG21))
OR
(( segid " " and resid 28 and name HG23))
OR
(( segid " " and resid 28 and name HG22))
OR
(( segid " " and resid 28 and name HG21))
OR
(( segid " " and resid 5 and name HB1 ))
)
5.000 5.000 0.000 peak 6469 weight 0.10000E+01 volume 0.67200E+00 ppm1 8.482 ppm2 1.129
ASSI (
(( segid " " and resid 46 and name HN ))
)(
(( segid " " and resid 30 and name HA ))
)
5.000 5.000 0.000 peak 6474 weight 0.10000E+01 volume 0.34700E+00 ppm1 8.482 ppm2 4.502
ASSI (
(( segid " " and resid 48 and name HN ))
)(
(( segid " " and resid 26 and name HA2 ))
OR
(( segid " " and resid 25 and name HA ))
)
6.000 6.000 0.000 peak 6490 weight 0.10000E+01 volume 0.26900E+00 ppm1 8.511 ppm2 3.503
ASSI (
(( segid " " and resid 48 and name HN ))
)(
(( segid " " and resid 54 and name HE3 ))
)
6.000 6.000 0.000 peak 6496 weight 0.10000E+01 volume 0.26000E+00 ppm1 8.513 ppm2 7.054
ASSI (
(( segid " " and resid 49 and name HN ))
)(
(( segid " " and resid 49 and name HD22))
OR
(( segid " " and resid 49 and name HD21))
)
5.000 5.000 0.000 peak 6509 weight 0.10000E+01 volume 0.30700E+00 ppm1 9.050 ppm2 7.110
ASSI (
(( segid " " and resid 51 and name HN ))
)(
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG21))
OR
(( segid " " and resid 47 and name HG23))
OR
(( segid " " and resid 47 and name HG22))
OR
(( segid " " and resid 47 and name HG21))
OR
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)
6.000 6.000 0.000 peak 6525 weight 0.10000E+01 volume 0.24100E+00 ppm1 7.638 ppm2 0.995
ASSI (
(( segid " " and resid 53 and name HN ))
)(
(( segid " " and resid 50 and name HB1 ))
OR
(( segid " " and resid 48 and name HA ))
OR
(( segid " " and resid 3 and name HA2 ))
)
6.000 6.000 0.000 peak 6563 weight 0.10000E+01 volume 0.26800E+00 ppm1 7.509 ppm2 3.968
ASSI (
(( segid " " and resid 53 and name HN ))
)(
(( segid " " and resid 49 and name HD22))
OR
(( segid " " and resid 49 and name HD21))
)
5.000 5.000 0.000 peak 6566 weight 0.10000E+01 volume 0.42900E+00 ppm1 7.509 ppm2 7.141
ASSI (
(( segid " " and resid 54 and name HN ))
)(
(( segid " " and resid 56 and name HE2 ))
OR
(( segid " " and resid 56 and name HE1 ))
)
5.000 5.000 0.000 peak 6578 weight 0.10000E+01 volume 0.42800E+00 ppm1 8.390 ppm2 6.653
ASSI (
(( segid " " and resid 54 and name HN ))
)(
(( segid " " and resid 54 and name HE3 ))
)
5.000 5.000 0.000 peak 6579 weight 0.10000E+01 volume 0.66100E+00 ppm1 8.388 ppm2 7.051
ASSI (
(( segid " " and resid 54 and name HN ))
)(
(( segid " " and resid 54 and name HB2 ))
OR
(( segid " " and resid 49 and name HB2 ))
)
3.300 3.300 0.000 peak 6571 weight 0.10000E+01 volume 0.21890E+01 ppm1 8.390 ppm2 2.893
ASSI (
(( segid " " and resid 54 and name HN ))
)(
(( segid " " and resid 52 and name HA2 ))
OR
(( segid " " and resid 49 and name HB1 ))
OR
(( segid " " and resid 6 and name HD1 ))
)
5.000 5.000 0.000 peak 6575 weight 0.10000E+01 volume 0.88000E+00 ppm1 8.390 ppm2 3.411
ASSI (
(( segid " " and resid 54 and name HN ))
)(
(( segid " " and resid 53 and name HA ))
)
2.700 2.700 0.000 peak 6001 weight 0.10000E+01 volume 0.39430E+01 ppm1 8.388 ppm2 4.491
ASSI (
(( segid " " and resid 54 and name HE1 ))
)(
(( segid " " and resid 5 and name HB2 ))
)
6.000 6.000 0.000 peak 6699 weight 0.10000E+01 volume 0.15800E+00 ppm1 10.001 ppm2 0.236
ASSI (
(( segid " " and resid 54 and name HE1 ))
)(
(( segid " " and resid 23 and name HB2 ))
OR
(( segid " " and resid 6 and name HD2 ))
OR
(( segid " " and resid 1 and name HB1 ))
)
5.000 5.000 0.000 peak 6698 weight 0.10000E+01 volume 0.43000E+00 ppm1 10.000 ppm2 2.721
ASSI (
(( segid " " and resid 54 and name HE1 ))
)(
(( segid " " and resid 2 and name HA ))
)
6.000 6.000 0.000 peak 6691 weight 0.10000E+01 volume 0.28800E+00 ppm1 10.001 ppm2 4.543
ASSI (
(( segid " " and resid 55 and name HN ))
)(
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)
6.000 6.000 0.000 peak 6595 weight 0.10000E+01 volume 0.23300E+00 ppm1 9.612 ppm2 6.813
ASSI (
(( segid " " and resid 55 and name HN ))
)(
(( segid " " and resid 54 and name HE3 ))
)
5.000 5.000 0.000 peak 6007 weight 0.10000E+01 volume 0.34200E+00 ppm1 9.613 ppm2 7.051
ASSI (
(( segid " " and resid 56 and name HN ))
)(
(( segid " " and resid 56 and name HA ))
)
5.000 5.000 0.000 peak 6600 weight 0.10000E+01 volume 0.68600E+00 ppm1 7.806 ppm2 4.968
ASSI (
(( segid " " and resid 56 and name HN ))
)(
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)
5.000 5.000 0.000 peak 6014 weight 0.10000E+01 volume 0.48300E+00 ppm1 7.806 ppm2 6.815
ASSI (
(( segid " " and resid 57 and name HN ))
)(
(( segid " " and resid 59 and name HB2 ))
OR
(( segid " " and resid 54 and name HB2 ))
)
6.000 6.000 0.000 peak 6607 weight 0.10000E+01 volume 0.27600E+00 ppm1 8.540 ppm2 2.937
ASSI (
(( segid " " and resid 57 and name HN ))
)(
(( segid " " and resid 56 and name HA ))
)
3.300 3.300 0.000 peak 6609 weight 0.10000E+01 volume 0.28070E+01 ppm1 8.539 ppm2 4.978
ASSI (
(( segid " " and resid 57 and name HN ))
)(
(( segid " " and resid 59 and name HD2 ))
OR
(( segid " " and resid 59 and name HD1 ))
OR
(( segid " " and resid 56 and name HN ))
)
5.000 5.000 0.000 peak 6019 weight 0.10000E+01 volume 0.75400E+00 ppm1 8.539 ppm2 7.760
ASSI (
(( segid " " and resid 58 and name HN ))
)(
(( segid " " and resid 59 and name HA ))
)
5.000 5.000 0.000 peak 6023 weight 0.10000E+01 volume 0.35600E+00 ppm1 8.267 ppm2 4.631
ASSI (
(( segid " " and resid 63 and name HN ))
)(
(( segid " " and resid 63 and name HB2 ))
OR
(( segid " " and resid 61 and name HG11))
)
5.000 5.000 0.000 peak 6037 weight 0.10000E+01 volume 0.84700E+00 ppm1 7.813 ppm2 1.233
ASSI (
(( segid " " and resid 63 and name HN ))
)(
(( segid " " and resid 64 and name HG2 ))
OR
(( segid " " and resid 64 and name HG1 ))
OR
(( segid " " and resid 63 and name HD2 ))
OR
(( segid " " and resid 63 and name HB2 ))
)
5.000 5.000 0.000 peak 6624 weight 0.10000E+01 volume 0.75000E+00 ppm1 7.815 ppm2 1.288
ASSI (
(( segid " " and resid 63 and name HN ))
)(
(( segid " " and resid 37 and name HA ))
)
5.000 5.000 0.000 peak 6028 weight 0.10000E+01 volume 0.72300E+00 ppm1 7.815 ppm2 5.002
ASSI (
(( segid " " and resid 64 and name HN ))
)(
(( segid " " and resid 85 and name HN ))
OR
(( segid " " and resid 65 and name HN ))
)
6.000 6.000 0.000 peak 6635 weight 0.10000E+01 volume 0.20500E+00 ppm1 7.729 ppm2 8.544
ASSI (
(( segid " " and resid 64 and name HE ))
)(
(( segid " " and resid 64 and name HB2 ))
)
5.000 5.000 0.000 peak 8259 weight 0.10000E+01 volume 0.47500E+00 ppm1 7.070 ppm2 1.393
ASSI (
(( segid " " and resid 66 and name HN ))
)(
(( segid " " and resid 66 and name HB2 ))
)
2.700 2.700 0.000 peak 6646 weight 0.10000E+01 volume 0.35000E+01 ppm1 8.348 ppm2 1.766
ASSI (
(( segid " " and resid 67 and name HN ))
)(
(( segid " " and resid 115 and name HZ2 ))
OR
(( segid " " and resid 67 and name HD2 ))
OR
(( segid " " and resid 66 and name HE ))
)
6.000 6.000 0.000 peak 6733 weight 0.10000E+01 volume 0.24700E+00 ppm1 8.932 ppm2 7.176
ASSI (
(( segid " " and resid 67 and name HN ))
)(
(( segid " " and resid 65 and name HN ))
)
6.000 6.000 0.000 peak 6732 weight 0.10000E+01 volume 0.12400E+00 ppm1 8.937 ppm2 8.531
ASSI (
(( segid " " and resid 69 and name HN ))
)(
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
OR
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)
5.000 5.000 0.000 peak 6067 weight 0.10000E+01 volume 0.39700E+00 ppm1 9.613 ppm2 0.509
ASSI (
(( segid " " and resid 69 and name HN ))
)(
(( segid " " and resid 68 and name HD1 ))
)
5.000 5.000 0.000 peak 6734 weight 0.10000E+01 volume 0.32700E+00 ppm1 9.615 ppm2 3.181
ASSI (
(( segid " " and resid 70 and name HN ))
)(
(( segid " " and resid 69 and name HA1 ))
)
2.700 2.700 0.000 peak 6070 weight 0.10000E+01 volume 0.33610E+01 ppm1 7.730 ppm2 4.217
ASSI (
(( segid " " and resid 71 and name HN ))
)(
(( segid " " and resid 120 and name HD2 ))
OR
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 70 and name HG2 ))
)
5.000 5.000 0.000 peak 6748 weight 0.10000E+01 volume 0.53300E+00 ppm1 8.286 ppm2 2.026
ASSI (
(( segid " " and resid 71 and name HN ))
)(
(( segid " " and resid 120 and name HD1 ))
OR
(( segid " " and resid 75 and name HG2 ))
OR
(( segid " " and resid 75 and name HG1 ))
OR
(( segid " " and resid 70 and name HG1 ))
)
5.000 5.000 0.000 peak 6747 weight 0.10000E+01 volume 0.64200E+00 ppm1 8.287 ppm2 2.141
ASSI (
(( segid " " and resid 71 and name HN ))
)(
(( segid " " and resid 91 and name HB2 ))
OR
(( segid " " and resid 91 and name HB1 ))
OR
(( segid " " and resid 73 and name HA ))
OR
(( segid " " and resid 72 and name HA ))
)
6.000 6.000 0.000 peak 6746 weight 0.10000E+01 volume 0.26000E+00 ppm1 8.287 ppm2 3.784
ASSI (
(( segid " " and resid 72 and name HN ))
)(
(( segid " " and resid 120 and name HD2 ))
OR
(( segid " " and resid 118 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 70 and name HG2 ))
)
6.000 6.000 0.000 peak 6754 weight 0.10000E+01 volume 0.21100E+00 ppm1 8.514 ppm2 2.041
ASSI (
(( segid " " and resid 73 and name HN ))
)(
(( segid " " and resid 72 and name HG1 ))
OR
(( segid " " and resid 72 and name HB2 ))
OR
(( segid " " and resid 71 and name HB1 ))
)
5.000 5.000 0.000 peak 6099 weight 0.10000E+01 volume 0.13490E+01 ppm1 8.869 ppm2 1.551
ASSI (
(( segid " " and resid 73 and name HN ))
)(
(( segid " " and resid 73 and name HB1 ))
OR
(( segid " " and resid 70 and name HG1 ))
)
5.000 5.000 0.000 peak 6100 weight 0.10000E+01 volume 0.33500E+00 ppm1 8.869 ppm2 2.118
ASSI (
(( segid " " and resid 73 and name HN ))
)(
(( segid " " and resid 73 and name HA ))
OR
(( segid " " and resid 72 and name HA ))
)
2.700 2.700 0.000 peak 6101 weight 0.10000E+01 volume 0.60990E+01 ppm1 8.869 ppm2 3.804
ASSI (
(( segid " " and resid 73 and name HN ))
)(
(( segid " " and resid 74 and name HA2 ))
OR
(( segid " " and resid 70 and name HA ))
)
6.000 6.000 0.000 peak 6756 weight 0.10000E+01 volume 0.24000E+00 ppm1 8.869 ppm2 4.105
ASSI (
(( segid " " and resid 73 and name HN ))
)(
(( segid " " and resid 93 and name HA ))
OR
(( segid " " and resid 74 and name HA1 ))
OR
(( segid " " and resid 71 and name HA ))
)
5.000 5.000 0.000 peak 6103 weight 0.10000E+01 volume 0.32800E+00 ppm1 8.868 ppm2 4.302
ASSI (
(( segid " " and resid 73 and name HD21))
)(
(( segid " " and resid 122 and name HB1 ))
)
6.000 6.000 0.000 peak 8765 weight 0.10000E+01 volume 0.17500E+00 ppm1 7.311 ppm2 2.752
ASSI (
(( segid " " and resid 73 and name HD22))
)(
(( segid " " and resid 72 and name HD2 ))
OR
(( segid " " and resid 72 and name HD1 ))
)
6.000 6.000 0.000 peak 8764 weight 0.10000E+01 volume 0.16200E+00 ppm1 6.752 ppm2 3.108
ASSI (
(( segid " " and resid 74 and name HN ))
)(
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
OR
(( segid " " and resid 73 and name HB2 ))
OR
(( segid " " and resid 71 and name HG ))
)
5.000 5.000 0.000 peak 6106 weight 0.10000E+01 volume 0.89600E+00 ppm1 7.633 ppm2 0.986
ASSI (
(( segid " " and resid 74 and name HN ))
)(
(( segid " " and resid 72 and name HG1 ))
OR
(( segid " " and resid 72 and name HB2 ))
OR
(( segid " " and resid 71 and name HB1 ))
)
5.000 5.000 0.000 peak 6107 weight 0.10000E+01 volume 0.50100E+00 ppm1 7.632 ppm2 1.535
ASSI (
(( segid " " and resid 74 and name HN ))
)(
(( segid " " and resid 75 and name HG2 ))
OR
(( segid " " and resid 75 and name HG1 ))
OR
(( segid " " and resid 73 and name HB1 ))
OR
(( segid " " and resid 70 and name HG1 ))
)
6.000 6.000 0.000 peak 6108 weight 0.10000E+01 volume 0.29800E+00 ppm1 7.632 ppm2 2.117
ASSI (
(( segid " " and resid 74 and name HN ))
)(
(( segid " " and resid 122 and name HA ))
OR
(( segid " " and resid 92 and name HA ))
)
6.000 6.000 0.000 peak 6114 weight 0.10000E+01 volume 0.29400E+00 ppm1 7.632 ppm2 5.253
ASSI (
(( segid " " and resid 74 and name HN ))
)(
(( segid " " and resid 76 and name HN ))
OR
(( segid " " and resid 71 and name HN ))
)
5.000 5.000 0.000 peak 6115 weight 0.10000E+01 volume 0.38100E+00 ppm1 7.632 ppm2 8.333
ASSI (
(( segid " " and resid 75 and name HN ))
)(
(( segid " " and resid 98 and name HB1 ))
OR
(( segid " " and resid 71 and name HB1 ))
)
5.000 5.000 0.000 peak 6766 weight 0.10000E+01 volume 0.49700E+00 ppm1 8.798 ppm2 1.532
ASSI (
(( segid " " and resid 75 and name HN ))
)(
(( segid " " and resid 75 and name HG2 ))
OR
(( segid " " and resid 75 and name HG1 ))
OR
(( segid " " and resid 70 and name HG1 ))
)
5.000 5.000 0.000 peak 6767 weight 0.10000E+01 volume 0.97300E+00 ppm1 8.798 ppm2 2.118
ASSI (
(( segid " " and resid 75 and name HN ))
)(
(( segid " " and resid 75 and name HB1 ))
)
5.000 5.000 0.000 peak 6118 weight 0.10000E+01 volume 0.13300E+01 ppm1 8.799 ppm2 1.840
ASSI (
(( segid " " and resid 76 and name HN ))
)(
(( segid " " and resid 78 and name HB ))
OR
(( segid " " and resid 77 and name HB2 ))
OR
(( segid " " and resid 77 and name HB1 ))
OR
(( segid " " and resid 75 and name HB2 ))
OR
(( segid " " and resid 70 and name HB2 ))
OR
(( segid " " and resid 70 and name HB1 ))
)
5.000 5.000 0.000 peak 6130 weight 0.10000E+01 volume 0.12390E+01 ppm1 8.342 ppm2 1.805
ASSI (
(( segid " " and resid 76 and name HN ))
)(
(( segid " " and resid 75 and name HN ))
)
5.000 5.000 0.000 peak 6774 weight 0.10000E+01 volume 0.57800E+00 ppm1 8.340 ppm2 8.802
ASSI (
(( segid " " and resid 77 and name HN ))
)(
(( segid " " and resid 88 and name HB ))
)
6.000 6.000 0.000 peak 6777 weight 0.10000E+01 volume 0.27200E+00 ppm1 9.246 ppm2 1.153
ASSI (
(( segid " " and resid 77 and name HN ))
)(
(( segid " " and resid 77 and name HG2 ))
OR
(( segid " " and resid 76 and name HB ))
)
5.000 5.000 0.000 peak 6778 weight 0.10000E+01 volume 0.12290E+01 ppm1 9.246 ppm2 2.000
ASSI (
(( segid " " and resid 77 and name HN ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
5.000 5.000 0.000 peak 6787 weight 0.10000E+01 volume 0.36200E+00 ppm1 9.246 ppm2 7.022
ASSI (
(( segid " " and resid 78 and name HN ))
)(
(( segid " " and resid 77 and name HN ))
)
5.000 5.000 0.000 peak 6791 weight 0.10000E+01 volume 0.49700E+00 ppm1 8.510 ppm2 9.250
ASSI (
(( segid " " and resid 78 and name HN ))
)(
(( segid " " and resid 78 and name HB ))
OR
(( segid " " and resid 77 and name HB2 ))
OR
(( segid " " and resid 77 and name HB1 ))
)
3.300 3.300 0.000 peak 6798 weight 0.10000E+01 volume 0.24970E+01 ppm1 8.510 ppm2 1.800
ASSI (
(( segid " " and resid 79 and name HN ))
)(
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)
5.000 5.000 0.000 peak 6800 weight 0.10000E+01 volume 0.51300E+00 ppm1 7.862 ppm2 0.480
ASSI (
(( segid " " and resid 79 and name HN ))
)(
(( segid " " and resid 88 and name HB ))
OR
(( segid " " and resid 80 and name HG23))
OR
(( segid " " and resid 80 and name HG22))
OR
(( segid " " and resid 80 and name HG21))
)
5.000 5.000 0.000 peak 6802 weight 0.10000E+01 volume 0.63400E+00 ppm1 7.860 ppm2 1.127
ASSI (
(( segid " " and resid 79 and name HN ))
)(
(( segid " " and resid 79 and name HG2 ))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
3.300 3.300 0.000 peak 6803 weight 0.10000E+01 volume 0.17710E+01 ppm1 7.860 ppm2 1.348
ASSI (
(( segid " " and resid 79 and name HN ))
)(
(( segid " " and resid 81 and name HA ))
OR
(( segid " " and resid 80 and name HA ))
OR
(( segid " " and resid 77 and name HA ))
)
5.000 5.000 0.000 peak 6812 weight 0.10000E+01 volume 0.41700E+00 ppm1 7.861 ppm2 4.427
ASSI (
(( segid " " and resid 79 and name HN ))
)(
(( segid " " and resid 88 and name HA ))
OR
(( segid " " and resid 82 and name HA ))
)
6.000 6.000 0.000 peak 6813 weight 0.10000E+01 volume 0.29200E+00 ppm1 7.862 ppm2 4.697
ASSI (
(( segid " " and resid 81 and name HN ))
)(
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 79 and name HB1 ))
)
5.000 5.000 0.000 peak 6835 weight 0.10000E+01 volume 0.72500E+00 ppm1 8.731 ppm2 1.877
ASSI (
(( segid " " and resid 81 and name HN ))
)(
(( segid " " and resid 81 and name HB2 ))
OR
(( segid " " and resid 79 and name HE2 ))
)
5.000 5.000 0.000 peak 6836 weight 0.10000E+01 volume 0.94200E+00 ppm1 8.732 ppm2 2.782
ASSI (
(( segid " " and resid 81 and name HN ))
)(
(( segid " " and resid 83 and name HA ))
OR
(( segid " " and resid 80 and name HB ))
OR
(( segid " " and resid 79 and name HA ))
)
3.300 3.300 0.000 peak 6840 weight 0.10000E+01 volume 0.25460E+01 ppm1 8.733 ppm2 4.253
ASSI (
(( segid " " and resid 81 and name HN ))
)(
(( segid " " and resid 81 and name HA ))
OR
(( segid " " and resid 80 and name HA ))
)
2.700 2.700 0.000 peak 6842 weight 0.10000E+01 volume 0.31700E+01 ppm1 8.733 ppm2 4.444
ASSI (
(( segid " " and resid 81 and name HN ))
)(
(( segid " " and resid 83 and name HN ))
OR
(( segid " " and resid 82 and name HN ))
OR
(( segid " " and resid 79 and name HN ))
)
5.000 5.000 0.000 peak 6355 weight 0.10000E+01 volume 0.67100E+00 ppm1 8.733 ppm2 7.902
ASSI (
(( segid " " and resid 82 and name HN ))
)(
(( segid " " and resid 83 and name HA ))
OR
(( segid " " and resid 80 and name HB ))
OR
(( segid " " and resid 79 and name HA ))
OR
(( segid " " and resid 67 and name HA ))
OR
(( segid " " and resid 66 and name HA ))
)
5.000 5.000 0.000 peak 6860 weight 0.10000E+01 volume 0.38100E+00 ppm1 7.929 ppm2 4.258
ASSI (
(( segid " " and resid 83 and name HN ))
)(
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 64 and name HB2 ))
OR
(( segid " " and resid 63 and name HB1 ))
)
5.000 5.000 0.000 peak 6868 weight 0.10000E+01 volume 0.39400E+00 ppm1 7.910 ppm2 1.396
ASSI (
(( segid " " and resid 83 and name HN ))
)(
(( segid " " and resid 82 and name HB1 ))
)
5.000 5.000 0.000 peak 6871 weight 0.10000E+01 volume 0.92100E+00 ppm1 7.911 ppm2 1.971
ASSI (
(( segid " " and resid 83 and name HN ))
)(
(( segid " " and resid 86 and name HB2 ))
OR
(( segid " " and resid 86 and name HB1 ))
)
5.000 5.000 0.000 peak 6878 weight 0.10000E+01 volume 0.83000E+00 ppm1 7.911 ppm2 3.973
ASSI (
(( segid " " and resid 83 and name HN ))
)(
(( segid " " and resid 82 and name HA ))
)
5.000 5.000 0.000 peak 6882 weight 0.10000E+01 volume 0.13440E+01 ppm1 7.912 ppm2 4.646
ASSI (
(( segid " " and resid 83 and name HN ))
)(
(( segid " " and resid 84 and name HN ))
)
5.000 5.000 0.000 peak 6883 weight 0.10000E+01 volume 0.11720E+01 ppm1 7.912 ppm2 8.149
ASSI (
(( segid " " and resid 84 and name HN ))
)(
(( segid " " and resid 64 and name HB2 ))
OR
(( segid " " and resid 63 and name HD1 ))
OR
(( segid " " and resid 63 and name HB1 ))
)
5.000 5.000 0.000 peak 6886 weight 0.10000E+01 volume 0.57400E+00 ppm1 8.157 ppm2 1.415
ASSI (
(( segid " " and resid 84 and name HN ))
)(
(( segid " " and resid 106 and name HB2 ))
OR
(( segid " " and resid 82 and name HG ))
OR
(( segid " " and resid 82 and name HB2 ))
OR
(( segid " " and resid 64 and name HB1 ))
)
5.000 5.000 0.000 peak 6888 weight 0.10000E+01 volume 0.78100E+00 ppm1 8.156 ppm2 1.611
ASSI (
(( segid " " and resid 84 and name HN ))
)(
(( segid " " and resid 84 and name HB1 ))
)
3.300 3.300 0.000 peak 6890 weight 0.10000E+01 volume 0.15770E+01 ppm1 8.155 ppm2 2.752
ASSI (
(( segid " " and resid 84 and name HN ))
)(
(( segid " " and resid 64 and name HA ))
)
5.000 5.000 0.000 peak 6896 weight 0.10000E+01 volume 0.73200E+00 ppm1 8.156 ppm2 4.517
ASSI (
(( segid " " and resid 84 and name HN ))
)(
(( segid " " and resid 85 and name HN ))
OR
(( segid " " and resid 65 and name HN ))
)
5.000 5.000 0.000 peak 6898 weight 0.10000E+01 volume 0.54500E+00 ppm1 8.158 ppm2 8.543
ASSI (
(( segid " " and resid 87 and name HN ))
)(
(( segid " " and resid 87 and name HB2 ))
)
5.000 5.000 0.000 peak 6912 weight 0.10000E+01 volume 0.13860E+01 ppm1 8.713 ppm2 1.877
ASSI (
(( segid " " and resid 87 and name HN ))
)(
(( segid " " and resid 86 and name HB2 ))
OR
(( segid " " and resid 86 and name HB1 ))
)
3.300 3.300 0.000 peak 6915 weight 0.10000E+01 volume 0.18820E+01 ppm1 8.712 ppm2 3.974
ASSI (
(( segid " " and resid 87 and name HN ))
)(
(( segid " " and resid 87 and name HG2 ))
OR
(( segid " " and resid 87 and name HG1 ))
)
5.000 5.000 0.000 peak 6914 weight 0.10000E+01 volume 0.49800E+00 ppm1 8.713 ppm2 2.184
ASSI (
(( segid " " and resid 87 and name HE21))
)(
(( segid " " and resid 103 and name HG23))
OR
(( segid " " and resid 103 and name HG22))
OR
(( segid " " and resid 103 and name HG21))
)
5.000 5.000 0.000 peak 9038 weight 0.10000E+01 volume 0.59300E+00 ppm1 7.539 ppm2 1.073
ASSI (
(( segid " " and resid 87 and name HE21))
)(
(( segid " " and resid 89 and name HB1 ))
OR
(( segid " " and resid 87 and name HB1 ))
)
5.000 5.000 0.000 peak 9036 weight 0.10000E+01 volume 0.48800E+00 ppm1 7.538 ppm2 1.957
ASSI (
(( segid " " and resid 87 and name HE22))
)(
(( segid " " and resid 89 and name HB1 ))
OR
(( segid " " and resid 87 and name HB1 ))
OR
(( segid " " and resid 77 and name HG2 ))
)
5.000 5.000 0.000 peak 9037 weight 0.10000E+01 volume 0.31800E+00 ppm1 6.800 ppm2 1.958
ASSI (
(( segid " " and resid 88 and name HN ))
)(
(( segid " " and resid 87 and name HG2 ))
OR
(( segid " " and resid 87 and name HG1 ))
)
5.000 5.000 0.000 peak 6929 weight 0.10000E+01 volume 0.10050E+01 ppm1 8.806 ppm2 2.191
ASSI (
(( segid " " and resid 88 and name HN ))
)(
(( segid " " and resid 89 and name HN ))
OR
(( segid " " and resid 79 and name HN ))
)
5.000 5.000 0.000 peak 6934 weight 0.10000E+01 volume 0.39000E+00 ppm1 8.810 ppm2 7.819
ASSI (
(( segid " " and resid 90 and name HN ))
)(
(( segid " " and resid 103 and name HG23))
OR
(( segid " " and resid 103 and name HG22))
OR
(( segid " " and resid 103 and name HG21))
OR
(( segid " " and resid 98 and name HG ))
)
5.000 5.000 0.000 peak 6939 weight 0.10000E+01 volume 0.55600E+00 ppm1 8.379 ppm2 1.068
ASSI (
(( segid " " and resid 90 and name HN ))
)(
(( segid " " and resid 90 and name HB2 ))
)
5.000 5.000 0.000 peak 6940 weight 0.10000E+01 volume 0.86700E+00 ppm1 8.379 ppm2 2.534
ASSI (
(( segid " " and resid 90 and name HN ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
5.000 5.000 0.000 peak 6943 weight 0.10000E+01 volume 0.75100E+00 ppm1 8.379 ppm2 7.019
ASSI (
(( segid " " and resid 91 and name HN ))
)(
(( segid " " and resid 98 and name HB1 ))
OR
(( segid " " and resid 72 and name HB2 ))
OR
(( segid " " and resid 71 and name HB1 ))
)
6.000 6.000 0.000 peak 6950 weight 0.10000E+01 volume 0.21300E+00 ppm1 8.245 ppm2 1.508
ASSI (
(( segid " " and resid 91 and name HN ))
)(
(( segid " " and resid 77 and name HB2 ))
OR
(( segid " " and resid 77 and name HB1 ))
OR
(( segid " " and resid 75 and name HB2 ))
)
5.000 5.000 0.000 peak 6951 weight 0.10000E+01 volume 0.37000E+00 ppm1 8.245 ppm2 1.795
ASSI (
(( segid " " and resid 91 and name HN ))
)(
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HG1 ))
OR
(( segid " " and resid 77 and name HG1 ))
OR
(( segid " " and resid 75 and name HG2 ))
OR
(( segid " " and resid 75 and name HG1 ))
OR
(( segid " " and resid 73 and name HB1 ))
)
5.000 5.000 0.000 peak 6952 weight 0.10000E+01 volume 0.36600E+00 ppm1 8.244 ppm2 2.095
ASSI (
(( segid " " and resid 91 and name HN ))
)(
(( segid " " and resid 94 and name HA ))
OR
(( segid " " and resid 74 and name HA2 ))
OR
(( segid " " and resid 70 and name HA ))
)
5.000 5.000 0.000 peak 6958 weight 0.10000E+01 volume 0.50000E+00 ppm1 8.246 ppm2 4.114
ASSI (
(( segid " " and resid 91 and name HN ))
)(
(( segid " " and resid 102 and name HA ))
OR
(( segid " " and resid 93 and name HA ))
OR
(( segid " " and resid 76 and name HA ))
OR
(( segid " " and resid 74 and name HA1 ))
OR
(( segid " " and resid 71 and name HA ))
)
5.000 5.000 0.000 peak 6959 weight 0.10000E+01 volume 0.77900E+00 ppm1 8.246 ppm2 4.301
ASSI (
(( segid " " and resid 91 and name HN ))
)(
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
5.000 5.000 0.000 peak 6963 weight 0.10000E+01 volume 0.68300E+00 ppm1 8.245 ppm2 7.019
ASSI (
(( segid " " and resid 92 and name HN ))
)(
(( segid " " and resid 96 and name HB1 ))
)
6.000 6.000 0.000 peak 6975 weight 0.10000E+01 volume 0.21300E+00 ppm1 8.713 ppm2 3.203
ASSI (
(( segid " " and resid 92 and name HN ))
)(
(( segid " " and resid 95 and name HA1 ))
OR
(( segid " " and resid 94 and name HA ))
OR
(( segid " " and resid 74 and name HA2 ))
)
5.000 5.000 0.000 peak 6978 weight 0.10000E+01 volume 0.32200E+00 ppm1 8.714 ppm2 4.110
ASSI (
(( segid " " and resid 93 and name HN ))
)(
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 73 and name HB2 ))
OR
(( segid " " and resid 71 and name HG ))
)
6.000 6.000 0.000 peak 6987 weight 0.10000E+01 volume 0.21200E+00 ppm1 8.887 ppm2 0.978
ASSI (
(( segid " " and resid 93 and name HN ))
)(
(( segid " " and resid 75 and name HG2 ))
OR
(( segid " " and resid 75 and name HG1 ))
OR
(( segid " " and resid 73 and name HB1 ))
)
6.000 6.000 0.000 peak 6988 weight 0.10000E+01 volume 0.16300E+00 ppm1 8.888 ppm2 2.108
ASSI (
(( segid " " and resid 93 and name HN ))
)(
(( segid " " and resid 96 and name HB1 ))
)
6.000 6.000 0.000 peak 6993 weight 0.10000E+01 volume 0.24400E+00 ppm1 8.887 ppm2 3.214
ASSI (
(( segid " " and resid 93 and name HN ))
)(
(( segid " " and resid 74 and name HA2 ))
)
5.000 5.000 0.000 peak 6999 weight 0.10000E+01 volume 0.11690E+01 ppm1 8.886 ppm2 4.111
ASSI (
(( segid " " and resid 93 and name HN ))
)(
(( segid " " and resid 93 and name HA ))
OR
(( segid " " and resid 74 and name HA1 ))
)
3.300 3.300 0.000 peak 7000 weight 0.10000E+01 volume 0.17270E+01 ppm1 8.885 ppm2 4.315
ASSI (
(( segid " " and resid 93 and name HN ))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
OR
(( segid " " and resid 73 and name HD22))
)
6.000 6.000 0.000 peak 7004 weight 0.10000E+01 volume 0.27800E+00 ppm1 8.886 ppm2 6.710
ASSI (
(( segid " " and resid 94 and name HN ))
)(
(( segid " " and resid 95 and name HN ))
OR
(( segid " " and resid 93 and name HN ))
)
5.000 5.000 0.000 peak 7008 weight 0.10000E+01 volume 0.92200E+00 ppm1 8.426 ppm2 8.889
ASSI (
(( segid " " and resid 95 and name HN ))
)(
(( segid " " and resid 125 and name HD23))
OR
(( segid " " and resid 125 and name HD22))
OR
(( segid " " and resid 125 and name HD21))
OR
(( segid " " and resid 125 and name HD13))
OR
(( segid " " and resid 125 and name HD12))
OR
(( segid " " and resid 125 and name HD11))
OR
(( segid " " and resid 124 and name HG23))
OR
(( segid " " and resid 124 and name HG22))
OR
(( segid " " and resid 124 and name HG21))
)
6.000 6.000 0.000 peak 7014 weight 0.10000E+01 volume 0.20900E+00 ppm1 8.876 ppm2 0.627
ASSI (
(( segid " " and resid 95 and name HN ))
)(
(( segid " " and resid 95 and name HA1 ))
OR
(( segid " " and resid 94 and name HA ))
)
2.700 2.700 0.000 peak 7024 weight 0.10000E+01 volume 0.51000E+01 ppm1 8.878 ppm2 4.138
ASSI (
(( segid " " and resid 96 and name HN ))
)(
(( segid " " and resid 125 and name HD23))
OR
(( segid " " and resid 125 and name HD22))
OR
(( segid " " and resid 125 and name HD21))
OR
(( segid " " and resid 125 and name HD13))
OR
(( segid " " and resid 125 and name HD12))
OR
(( segid " " and resid 125 and name HD11))
OR
(( segid " " and resid 124 and name HG23))
OR
(( segid " " and resid 124 and name HG22))
OR
(( segid " " and resid 124 and name HG21))
)
6.000 6.000 0.000 peak 7030 weight 0.10000E+01 volume 0.28800E+00 ppm1 8.165 ppm2 0.627
ASSI (
(( segid " " and resid 96 and name HN ))
)(
(( segid " " and resid 96 and name HB2 ))
)
5.000 5.000 0.000 peak 7033 weight 0.10000E+01 volume 0.12180E+01 ppm1 8.165 ppm2 2.475
ASSI (
(( segid " " and resid 96 and name HN ))
)(
(( segid " " and resid 97 and name HB1 ))
OR
(( segid " " and resid 92 and name HB1 ))
)
5.000 5.000 0.000 peak 7034 weight 0.10000E+01 volume 0.56100E+00 ppm1 8.166 ppm2 2.938
ASSI (
(( segid " " and resid 96 and name HN ))
)(
(( segid " " and resid 122 and name HA ))
OR
(( segid " " and resid 92 and name HA ))
)
6.000 6.000 0.000 peak 7041 weight 0.10000E+01 volume 0.20000E+00 ppm1 8.163 ppm2 5.243
ASSI (
(( segid " " and resid 97 and name HN ))
)(
(( segid " " and resid 121 and name HN ))
OR
(( segid " " and resid 98 and name HN ))
)
5.000 5.000 0.000 peak 7324 weight 0.10000E+01 volume 0.12270E+01 ppm1 9.718 ppm2 7.966
ASSI (
(( segid " " and resid 97 and name HN ))
)(
(( segid " " and resid 125 and name HG ))
OR
(( segid " " and resid 125 and name HB2 ))
OR
(( segid " " and resid 125 and name HB1 ))
)
5.000 5.000 0.000 peak 7050 weight 0.10000E+01 volume 0.40400E+00 ppm1 9.710 ppm2 1.271
ASSI (
(( segid " " and resid 97 and name HN ))
)(
(( segid " " and resid 125 and name HN ))
)
5.000 5.000 0.000 peak 7066 weight 0.10000E+01 volume 0.39800E+00 ppm1 9.711 ppm2 7.801
ASSI (
(( segid " " and resid 97 and name HN ))
)(
(( segid " " and resid 123 and name HN ))
)
5.000 5.000 0.000 peak 7068 weight 0.10000E+01 volume 0.12730E+01 ppm1 9.713 ppm2 9.073
ASSI (
(( segid " " and resid 97 and name HN ))
)(
(( segid " " and resid 122 and name HA ))
OR
(( segid " " and resid 92 and name HA ))
)
5.000 5.000 0.000 peak 7063 weight 0.10000E+01 volume 0.54600E+00 ppm1 9.710 ppm2 5.266
ASSI (
(( segid " " and resid 98 and name HN ))
)(
(( segid " " and resid 122 and name HB2 ))
OR
(( segid " " and resid 92 and name HB2 ))
)
6.000 6.000 0.000 peak 7080 weight 0.10000E+01 volume 0.20000E+00 ppm1 8.001 ppm2 2.429
ASSI (
(( segid " " and resid 98 and name HN ))
)(
(( segid " " and resid 123 and name HN ))
OR
(( segid " " and resid 99 and name HN ))
)
6.000 6.000 0.000 peak 7091 weight 0.10000E+01 volume 0.19400E+00 ppm1 8.003 ppm2 9.113
ASSI (
(( segid " " and resid 99 and name HN ))
)(
(( segid " " and resid 99 and name HG12))
OR
(( segid " " and resid 98 and name HG ))
)
5.000 5.000 0.000 peak 7099 weight 0.10000E+01 volume 0.12340E+01 ppm1 9.122 ppm2 1.070
ASSI (
(( segid " " and resid 99 and name HN ))
)(
(( segid " " and resid 123 and name HG2 ))
OR
(( segid " " and resid 121 and name HG2 ))
OR
(( segid " " and resid 121 and name HG1 ))
OR
(( segid " " and resid 120 and name HD1 ))
)
6.000 6.000 0.000 peak 7104 weight 0.10000E+01 volume 0.24500E+00 ppm1 9.124 ppm2 2.183
ASSI (
(( segid " " and resid 99 and name HN ))
)(
(( segid " " and resid 122 and name HA ))
OR
(( segid " " and resid 92 and name HA ))
)
5.000 5.000 0.000 peak 7109 weight 0.10000E+01 volume 0.37300E+00 ppm1 9.124 ppm2 5.261
ASSI (
(( segid " " and resid 100 and name HN ))
)(
(( segid " " and resid 99 and name HG12))
OR
(( segid " " and resid 98 and name HG ))
)
5.000 5.000 0.000 peak 7118 weight 0.10000E+01 volume 0.95900E+00 ppm1 8.437 ppm2 1.061
ASSI (
(( segid " " and resid 100 and name HN ))
)(
(( segid " " and resid 102 and name HG23))
OR
(( segid " " and resid 102 and name HG22))
OR
(( segid " " and resid 102 and name HG21))
OR
(( segid " " and resid 99 and name HG11))
)
5.000 5.000 0.000 peak 7119 weight 0.10000E+01 volume 0.55500E+00 ppm1 8.437 ppm2 1.329
ASSI (
(( segid " " and resid 100 and name HN ))
)(
(( segid " " and resid 99 and name HB ))
)
5.000 5.000 0.000 peak 7120 weight 0.10000E+01 volume 0.49400E+00 ppm1 8.437 ppm2 1.711
ASSI (
(( segid " " and resid 100 and name HN ))
)(
(( segid " " and resid 101 and name HA ))
OR
(( segid " " and resid 100 and name HA1 ))
)
5.000 5.000 0.000 peak 7125 weight 0.10000E+01 volume 0.13610E+01 ppm1 8.437 ppm2 4.467
ASSI (
(( segid " " and resid 102 and name HN ))
)(
(( segid " " and resid 103 and name HG23))
OR
(( segid " " and resid 103 and name HG22))
OR
(( segid " " and resid 103 and name HG21))
OR
(( segid " " and resid 98 and name HG ))
)
5.000 5.000 0.000 peak 7131 weight 0.10000E+01 volume 0.46500E+00 ppm1 8.208 ppm2 1.085
ASSI (
(( segid " " and resid 102 and name HN ))
)(
(( segid " " and resid 102 and name HA ))
)
3.300 3.300 0.000 peak 7138 weight 0.10000E+01 volume 0.20410E+01 ppm1 8.208 ppm2 4.286
ASSI (
(( segid " " and resid 102 and name HN ))
)(
(( segid " " and resid 103 and name HA ))
)
6.000 6.000 0.000 peak 7141 weight 0.10000E+01 volume 0.19800E+00 ppm1 8.206 ppm2 5.052
ASSI (
(( segid " " and resid 103 and name HN ))
)(
(( segid " " and resid 105 and name HE ))
OR
(( segid " " and resid 90 and name HD2 ))
OR
(( segid " " and resid 90 and name HD1 ))
)
5.000 5.000 0.000 peak 7162 weight 0.10000E+01 volume 0.30700E+00 ppm1 7.558 ppm2 7.020
ASSI (
(( segid " " and resid 103 and name HN ))
)(
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
OR
(( segid " " and resid 88 and name HG11))
)
6.000 6.000 0.000 peak 7144 weight 0.10000E+01 volume 0.18700E+00 ppm1 7.557 ppm2 0.418
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
OR
(( segid " " and resid 88 and name HG11))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
)
5.000 5.000 0.000 peak 7168 weight 0.10000E+01 volume 0.49500E+00 ppm1 8.040 ppm2 0.452
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 104 and name HA ))
)
5.000 5.000 0.000 peak 7178 weight 0.10000E+01 volume 0.68300E+00 ppm1 8.040 ppm2 4.536
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 89 and name HA ))
)
5.000 5.000 0.000 peak 7179 weight 0.10000E+01 volume 0.69200E+00 ppm1 8.039 ppm2 4.770
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 90 and name HZ ))
OR
(( segid " " and resid 90 and name HE2 ))
OR
(( segid " " and resid 90 and name HE1 ))
)
5.000 5.000 0.000 peak 7183 weight 0.10000E+01 volume 0.36900E+00 ppm1 8.039 ppm2 6.691
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 89 and name HB1 ))
OR
(( segid " " and resid 87 and name HB1 ))
)
5.000 5.000 0.000 peak 7170 weight 0.10000E+01 volume 0.32100E+00 ppm1 8.039 ppm2 1.938
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 105 and name HG2 ))
OR
(( segid " " and resid 105 and name HG1 ))
)
6.000 6.000 0.000 peak 7185 weight 0.10000E+01 volume 0.27600E+00 ppm1 9.006 ppm2 1.374
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 117 and name HB2 ))
OR
(( segid " " and resid 105 and name HD2 ))
OR
(( segid " " and resid 105 and name HD1 ))
)
5.000 5.000 0.000 peak 7190 weight 0.10000E+01 volume 0.31800E+00 ppm1 9.007 ppm2 3.106
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 115 and name HE3 ))
)
6.000 6.000 0.000 peak 7198 weight 0.10000E+01 volume 0.26300E+00 ppm1 9.006 ppm2 7.324
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 103 and name HN ))
OR
(( segid " " and resid 87 and name HE21))
)
6.000 6.000 0.000 peak 7199 weight 0.10000E+01 volume 0.15900E+00 ppm1 9.006 ppm2 7.533
ASSI (
(( segid " " and resid 107 and name HN ))
)(
(( segid " " and resid 113 and name HB ))
OR
(( segid " " and resid 109 and name HB1 ))
OR
(( segid " " and resid 108 and name HB ))
OR
(( segid " " and resid 87 and name HB2 ))
)
5.000 5.000 0.000 peak 7205 weight 0.10000E+01 volume 0.85900E+00 ppm1 9.101 ppm2 1.862
ASSI (
(( segid " " and resid 107 and name HN ))
)(
(( segid " " and resid 107 and name HB1 ))
)
5.000 5.000 0.000 peak 7206 weight 0.10000E+01 volume 0.72600E+00 ppm1 9.101 ppm2 2.020
ASSI (
(( segid " " and resid 107 and name HN ))
)(
(( segid " " and resid 106 and name HB1 ))
)
6.000 6.000 0.000 peak 7209 weight 0.10000E+01 volume 0.24100E+00 ppm1 9.100 ppm2 2.625
ASSI (
(( segid " " and resid 107 and name HN ))
)(
(( segid " " and resid 115 and name HE3 ))
OR
(( segid " " and resid 84 and name HE2 ))
OR
(( segid " " and resid 84 and name HE1 ))
)
6.000 6.000 0.000 peak 7217 weight 0.10000E+01 volume 0.26200E+00 ppm1 9.100 ppm2 7.329
ASSI (
(( segid " " and resid 108 and name HN ))
)(
(( segid " " and resid 108 and name HG13))
OR
(( segid " " and resid 108 and name HG12))
OR
(( segid " " and resid 108 and name HG11))
)
3.300 3.300 0.000 peak 7225 weight 0.10000E+01 volume 0.19540E+01 ppm1 8.357 ppm2 0.714
ASSI (
(( segid " " and resid 108 and name HN ))
)(
(( segid " " and resid 108 and name HB ))
)
2.700 2.700 0.000 peak 7226 weight 0.10000E+01 volume 0.40250E+01 ppm1 8.356 ppm2 1.859
ASSI (
(( segid " " and resid 108 and name HN ))
)(
(( segid " " and resid 108 and name HA ))
OR
(( segid " " and resid 106 and name HA ))
)
5.000 5.000 0.000 peak 7229 weight 0.10000E+01 volume 0.77100E+00 ppm1 8.357 ppm2 3.879
ASSI (
(( segid " " and resid 108 and name HN ))
)(
(( segid " " and resid 115 and name HN ))
OR
(( segid " " and resid 111 and name HN ))
OR
(( segid " " and resid 109 and name HN ))
)
6.000 6.000 0.000 peak 7236 weight 0.10000E+01 volume 0.28600E+00 ppm1 8.356 ppm2 8.054
ASSI (
(( segid " " and resid 109 and name HN ))
)(
(( segid " " and resid 111 and name HG2 ))
OR
(( segid " " and resid 111 and name HG1 ))
OR
(( segid " " and resid 109 and name HB2 ))
)
5.000 5.000 0.000 peak 7241 weight 0.10000E+01 volume 0.10060E+01 ppm1 8.045 ppm2 1.551
ASSI (
(( segid " " and resid 109 and name HN ))
)(
(( segid " " and resid 113 and name HB ))
OR
(( segid " " and resid 109 and name HB1 ))
OR
(( segid " " and resid 108 and name HB ))
)
5.000 5.000 0.000 peak 7243 weight 0.10000E+01 volume 0.97300E+00 ppm1 8.046 ppm2 1.855
ASSI (
(( segid " " and resid 109 and name HN ))
)(
(( segid " " and resid 114 and name HN ))
)
5.000 5.000 0.000 peak 7252 weight 0.10000E+01 volume 0.40700E+00 ppm1 8.046 ppm2 8.845
ASSI (
(( segid " " and resid 110 and name HN ))
)(
(( segid " " and resid 110 and name HA ))
)
2.700 2.700 0.000 peak 7264 weight 0.10000E+01 volume 0.32710E+01 ppm1 8.780 ppm2 4.111
ASSI (
(( segid " " and resid 111 and name HN ))
)(
(( segid " " and resid 111 and name HG2 ))
OR
(( segid " " and resid 111 and name HG1 ))
OR
(( segid " " and resid 109 and name HB2 ))
)
3.300 3.300 0.000 peak 7270 weight 0.10000E+01 volume 0.19960E+01 ppm1 8.102 ppm2 1.534
ASSI (
(( segid " " and resid 112 and name HN ))
)(
(( segid " " and resid 111 and name HG2 ))
OR
(( segid " " and resid 111 and name HG1 ))
OR
(( segid " " and resid 109 and name HB2 ))
)
5.000 5.000 0.000 peak 7284 weight 0.10000E+01 volume 0.50900E+00 ppm1 7.734 ppm2 1.532
ASSI (
(( segid " " and resid 112 and name HN ))
)(
(( segid " " and resid 111 and name HB2 ))
)
5.000 5.000 0.000 peak 7285 weight 0.10000E+01 volume 0.44800E+00 ppm1 7.734 ppm2 1.670
ASSI (
(( segid " " and resid 112 and name HN ))
)(
(( segid " " and resid 111 and name HB1 ))
)
5.000 5.000 0.000 peak 7286 weight 0.10000E+01 volume 0.30100E+00 ppm1 7.735 ppm2 1.953
ASSI (
(( segid " " and resid 114 and name HN ))
)(
(( segid " " and resid 115 and name HN ))
OR
(( segid " " and resid 109 and name HN ))
)
5.000 5.000 0.000 peak 7301 weight 0.10000E+01 volume 0.63300E+00 ppm1 8.868 ppm2 8.032
ASSI (
(( segid " " and resid 114 and name HN ))
)(
(( segid " " and resid 108 and name HN ))
OR
(( segid " " and resid 106 and name HN ))
OR
(( segid " " and resid 66 and name HN ))
)
6.000 6.000 0.000 peak 7302 weight 0.10000E+01 volume 0.25900E+00 ppm1 8.867 ppm2 8.337
ASSI (
(( segid " " and resid 114 and name HN ))
)(
(( segid " " and resid 113 and name HB ))
OR
(( segid " " and resid 108 and name HB ))
OR
(( segid " " and resid 66 and name HB1 ))
)
3.300 3.300 0.000 peak 7295 weight 0.10000E+01 volume 0.15690E+01 ppm1 8.869 ppm2 1.885
ASSI (
(( segid " " and resid 114 and name HN ))
)(
(( segid " " and resid 114 and name HA1 ))
OR
(( segid " " and resid 108 and name HA ))
)
3.300 3.300 0.000 peak 7298 weight 0.10000E+01 volume 0.15250E+01 ppm1 8.868 ppm2 3.873
ASSI (
(( segid " " and resid 115 and name HE1 ))
)(
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
OR
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
OR
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
OR
(( segid " " and resid 88 and name HG23))
OR
(( segid " " and resid 88 and name HG22))
OR
(( segid " " and resid 88 and name HG21))
OR
(( segid " " and resid 88 and name HG11))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)
6.000 6.000 0.000 peak 9499 weight 0.10000E+01 volume 0.17400E+00 ppm1 10.496 ppm2 0.468
ASSI (
(( segid " " and resid 115 and name HE1 ))
)(
(( segid " " and resid 68 and name HB1 ))
)
5.000 5.000 0.000 peak 6718 weight 0.10000E+01 volume 0.52600E+00 ppm1 10.497 ppm2 1.711
ASSI (
(( segid " " and resid 115 and name HE1 ))
)(
(( segid " " and resid 68 and name HD1 ))
)
5.000 5.000 0.000 peak 6685 weight 0.10000E+01 volume 0.43300E+00 ppm1 10.495 ppm2 3.200
ASSI (
(( segid " " and resid 115 and name HE1 ))
)(
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
OR
(( segid " " and resid 68 and name HG2 ))
)
6.000 6.000 0.000 peak 6686 weight 0.10000E+01 volume 0.29800E+00 ppm1 10.496 ppm2 1.010
ASSI (
(( segid " " and resid 116 and name HN ))
)(
(( segid " " and resid 116 and name HB1 ))
OR
(( segid " " and resid 106 and name HA ))
OR
(( segid " " and resid 104 and name HB1 ))
)
3.300 3.300 0.000 peak 9351 weight 0.10000E+01 volume 0.16930E+01 ppm1 9.720 ppm2 3.893
ASSI (
(( segid " " and resid 117 and name HN ))
)(
(( segid " " and resid 115 and name HB2 ))
)
5.000 5.000 0.000 peak 7310 weight 0.10000E+01 volume 0.48900E+00 ppm1 7.968 ppm2 2.784
ASSI (
(( segid " " and resid 117 and name HN ))
)(
(( segid " " and resid 117 and name HB1 ))
)
5.000 5.000 0.000 peak 7312 weight 0.10000E+01 volume 0.12110E+01 ppm1 7.968 ppm2 3.363
ASSI (
(( segid " " and resid 117 and name HN ))
)(
(( segid " " and resid 115 and name HB1 ))
OR
(( segid " " and resid 104 and name HB2 ))
)
5.000 5.000 0.000 peak 7313 weight 0.10000E+01 volume 0.12110E+01 ppm1 7.968 ppm2 3.501
ASSI (
(( segid " " and resid 117 and name HN ))
)(
(( segid " " and resid 118 and name HD1 ))
OR
(( segid " " and resid 116 and name HB1 ))
OR
(( segid " " and resid 106 and name HA ))
OR
(( segid " " and resid 104 and name HB1 ))
)
5.000 5.000 0.000 peak 7314 weight 0.10000E+01 volume 0.14660E+01 ppm1 7.968 ppm2 3.878
ASSI (
(( segid " " and resid 117 and name HN ))
)(
(( segid " " and resid 118 and name HA ))
OR
(( segid " " and resid 104 and name HA ))
)
5.000 5.000 0.000 peak 7315 weight 0.10000E+01 volume 0.74800E+00 ppm1 7.968 ppm2 4.564
ASSI (
(( segid " " and resid 117 and name HN ))
)(
(( segid " " and resid 115 and name HA ))
)
5.000 5.000 0.000 peak 7316 weight 0.10000E+01 volume 0.49600E+00 ppm1 7.967 ppm2 4.838
ASSI (
(( segid " " and resid 117 and name HN ))
)(
(( segid " " and resid 116 and name HN ))
)
5.000 5.000 0.000 peak 7323 weight 0.10000E+01 volume 0.86600E+00 ppm1 7.967 ppm2 9.718
ASSI (
(( segid " " and resid 119 and name HN ))
)(
(( segid " " and resid 119 and name HB2 ))
)
3.300 3.300 0.000 peak 7327 weight 0.10000E+01 volume 0.22940E+01 ppm1 7.863 ppm2 1.199
ASSI (
(( segid " " and resid 119 and name HN ))
)(
(( segid " " and resid 119 and name HB1 ))
OR
(( segid " " and resid 68 and name HB2 ))
)
2.700 2.700 0.000 peak 7326 weight 0.10000E+01 volume 0.36770E+01 ppm1 7.863 ppm2 1.342
ASSI (
(( segid " " and resid 119 and name HN ))
)(
(( segid " " and resid 120 and name HD2 ))
OR
(( segid " " and resid 118 and name HG1 ))
OR
(( segid " " and resid 118 and name HB2 ))
)
3.300 3.300 0.000 peak 7329 weight 0.10000E+01 volume 0.15310E+01 ppm1 7.862 ppm2 2.010
ASSI (
(( segid " " and resid 119 and name HN ))
)(
(( segid " " and resid 118 and name HD1 ))
OR
(( segid " " and resid 104 and name HB1 ))
OR
(( segid " " and resid 72 and name HA ))
)
5.000 5.000 0.000 peak 7334 weight 0.10000E+01 volume 0.34900E+00 ppm1 7.864 ppm2 3.834
ASSI (
(( segid " " and resid 121 and name HN ))
)(
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 98 and name HD23))
OR
(( segid " " and resid 98 and name HD22))
OR
(( segid " " and resid 98 and name HD21))
OR
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)
5.000 5.000 0.000 peak 7337 weight 0.10000E+01 volume 0.63500E+00 ppm1 7.954 ppm2 0.430
ASSI (
(( segid " " and resid 121 and name HN ))
)(
(( segid " " and resid 99 and name HG12))
OR
(( segid " " and resid 98 and name HG ))
)
5.000 5.000 0.000 peak 7339 weight 0.10000E+01 volume 0.81700E+00 ppm1 7.954 ppm2 1.065
ASSI (
(( segid " " and resid 121 and name HN ))
)(
(( segid " " and resid 121 and name HA ))
)
3.300 3.300 0.000 peak 7344 weight 0.10000E+01 volume 0.17900E+01 ppm1 7.954 ppm2 4.394
ASSI (
(( segid " " and resid 121 and name HN ))
)(
(( segid " " and resid 100 and name HN ))
)
5.000 5.000 0.000 peak 7346 weight 0.10000E+01 volume 0.31000E+00 ppm1 7.953 ppm2 8.438
ASSI (
(( segid " " and resid 122 and name HN ))
)(
(( segid " " and resid 73 and name HB2 ))
OR
(( segid " " and resid 71 and name HG ))
)
5.000 5.000 0.000 peak 7350 weight 0.10000E+01 volume 0.31800E+00 ppm1 8.771 ppm2 0.972
ASSI (
(( segid " " and resid 122 and name HN ))
)(
(( segid " " and resid 121 and name HB2 ))
)
5.000 5.000 0.000 peak 7353 weight 0.10000E+01 volume 0.97700E+00 ppm1 8.770 ppm2 1.768
ASSI (
(( segid " " and resid 122 and name HN ))
)(
(( segid " " and resid 123 and name HG2 ))
OR
(( segid " " and resid 121 and name HG2 ))
OR
(( segid " " and resid 121 and name HG1 ))
OR
(( segid " " and resid 73 and name HB1 ))
)
5.000 5.000 0.000 peak 7355 weight 0.10000E+01 volume 0.67200E+00 ppm1 8.770 ppm2 2.167
ASSI (
(( segid " " and resid 1 and name HN ))
)(
(( segid " " and resid 1 and name HB1 ))
)
5.000 5.000 0.000 peak 6150 weight 0.10000E+01 volume 0.69000E+00 ppm1 8.260 ppm2 2.752
ASSI (
(( segid " " and resid 1 and name HN ))
)(
(( segid " " and resid 1 and name HD21))
)
5.000 5.000 0.000 peak 6153 weight 0.10000E+01 volume 0.32900E+00 ppm1 8.259 ppm2 7.255
ASSI (
(( segid " " and resid 1 and name HN ))
)(
(( segid " " and resid 2 and name HN ))
)
5.000 5.000 0.000 peak 6154 weight 0.10000E+01 volume 0.38300E+00 ppm1 8.259 ppm2 8.831
ASSI (
(( segid " " and resid 1 and name HD22))
)(
(( segid " " and resid 1 and name HA ))
)
6.000 6.000 0.000 peak 7527 weight 0.10000E+01 volume 0.16000E+00 ppm1 6.922 ppm2 4.907
ASSI (
(( segid " " and resid 1 and name HD22))
)(
(( segid " " and resid 1 and name HD21))
)
2.700 2.700 0.000 peak 7361 weight 0.10000E+01 volume 0.85070E+01 ppm1 6.924 ppm2 7.258
ASSI (
(( segid " " and resid 1 and name HD21))
)(
(( segid " " and resid 2 and name HN ))
)
6.000 6.000 0.000 peak 7530 weight 0.10000E+01 volume 0.16300E+00 ppm1 7.256 ppm2 8.832
ASSI (
(( segid " " and resid 1 and name HD22))
)(
(( segid " " and resid 2 and name HN ))
)
6.000 6.000 0.000 peak 7531 weight 0.10000E+01 volume 0.82000E-01 ppm1 6.924 ppm2 8.831
ASSI (
(( segid " " and resid 1 and name HD21))
)(
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)
5.000 5.000 0.000 peak 7519 weight 0.10000E+01 volume 0.43100E+00 ppm1 7.258 ppm2 1.509
ASSI (
(( segid " " and resid 1 and name HD22))
)(
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)
5.000 5.000 0.000 peak 7520 weight 0.10000E+01 volume 0.35900E+00 ppm1 6.926 ppm2 1.507
ASSI (
(( segid " " and resid 2 and name HN ))
)(
(( segid " " and resid 2 and name HA ))
)
5.000 5.000 0.000 peak 6158 weight 0.10000E+01 volume 0.43300E+00 ppm1 8.836 ppm2 4.545
ASSI (
(( segid " " and resid 2 and name HN ))
)(
(( segid " " and resid 3 and name HN ))
)
5.000 5.000 0.000 peak 6155 weight 0.10000E+01 volume 0.36400E+00 ppm1 8.837 ppm2 8.549
ASSI (
(( segid " " and resid 2 and name HN ))
)(
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)
5.000 5.000 0.000 peak 6163 weight 0.10000E+01 volume 0.30500E+00 ppm1 8.837 ppm2 1.510
ASSI (
(( segid " " and resid 2 and name HN ))
)(
(( segid " " and resid 54 and name HE1 ))
)
6.000 6.000 0.000 peak 6270 weight 0.10000E+01 volume 0.14900E+00 ppm1 8.838 ppm2 10.002
ASSI (
(( segid " " and resid 3 and name HN ))
)(
(( segid " " and resid 54 and name HE1 ))
)
5.000 5.000 0.000 peak 6167 weight 0.10000E+01 volume 0.38400E+00 ppm1 8.529 ppm2 10.004
ASSI (
(( segid " " and resid 7 and name HN ))
)(
(( segid " " and resid 6 and name HG1 ))
)
5.000 5.000 0.000 peak 6277 weight 0.10000E+01 volume 0.39400E+00 ppm1 8.292 ppm2 1.998
ASSI (
(( segid " " and resid 7 and name HN ))
)(
(( segid " " and resid 6 and name HG2 ))
)
5.000 5.000 0.000 peak 6276 weight 0.10000E+01 volume 0.37500E+00 ppm1 8.291 ppm2 1.489
ASSI (
(( segid " " and resid 7 and name HN ))
)(
(( segid " " and resid 7 and name HB ))
)
2.700 2.700 0.000 peak 6169 weight 0.10000E+01 volume 0.34180E+01 ppm1 8.290 ppm2 3.857
ASSI (
(( segid " " and resid 7 and name HN ))
)(
(( segid " " and resid 7 and name HG23))
OR
(( segid " " and resid 7 and name HG22))
OR
(( segid " " and resid 7 and name HG21))
)
5.000 5.000 0.000 peak 6168 weight 0.10000E+01 volume 0.72700E+00 ppm1 8.291 ppm2 1.052
ASSI (
(( segid " " and resid 8 and name HN ))
)(
(( segid " " and resid 8 and name HB2 ))
)
5.000 5.000 0.000 peak 6170 weight 0.10000E+01 volume 0.57700E+00 ppm1 8.424 ppm2 -0.094
ASSI (
(( segid " " and resid 8 and name HN ))
)(
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)
5.000 5.000 0.000 peak 5798 weight 0.10000E+01 volume 0.40600E+00 ppm1 8.425 ppm2 -0.294
ASSI (
(( segid " " and resid 8 and name HN ))
)(
(( segid " " and resid 8 and name HG ))
)
3.300 3.300 0.000 peak 6171 weight 0.10000E+01 volume 0.22230E+01 ppm1 8.424 ppm2 1.042
ASSI (
(( segid " " and resid 3 and name HN ))
)(
(( segid " " and resid 2 and name HA ))
)
3.300 3.300 0.000 peak 5783 weight 0.10000E+01 volume 0.15590E+01 ppm1 8.528 ppm2 4.551
ASSI (
(( segid " " and resid 8 and name HN ))
)(
(( segid " " and resid 7 and name HA ))
)
2.700 2.700 0.000 peak 5795 weight 0.10000E+01 volume 0.41230E+01 ppm1 8.426 ppm2 3.825
ASSI (
(( segid " " and resid 8 and name HN ))
)(
(( segid " " and resid 11 and name HN ))
)
6.000 6.000 0.000 peak 6279 weight 0.10000E+01 volume 0.19700E+00 ppm1 8.425 ppm2 6.448
ASSI (
(( segid " " and resid 9 and name HN ))
)(
(( segid " " and resid 8 and name HB1 ))
)
5.000 5.000 0.000 peak 5802 weight 0.10000E+01 volume 0.43900E+00 ppm1 8.569 ppm2 1.233
ASSI (
(( segid " " and resid 9 and name HN ))
)(
(( segid " " and resid 8 and name HB2 ))
)
5.000 5.000 0.000 peak 5805 weight 0.10000E+01 volume 0.67000E+00 ppm1 8.569 ppm2 -0.089
ASSI (
(( segid " " and resid 9 and name HN ))
)(
(( segid " " and resid 8 and name HG ))
)
6.000 6.000 0.000 peak 6174 weight 0.10000E+01 volume 0.29200E+00 ppm1 8.569 ppm2 1.034
ASSI (
(( segid " " and resid 9 and name HN ))
)(
(( segid " " and resid 10 and name HD2 ))
OR
(( segid " " and resid 10 and name HD1 ))
)
6.000 6.000 0.000 peak 6177 weight 0.10000E+01 volume 0.28900E+00 ppm1 8.569 ppm2 6.660
ASSI (
(( segid " " and resid 9 and name HN ))
)(
(( segid " " and resid 10 and name HN ))
)
5.000 5.000 0.000 peak 5799 weight 0.10000E+01 volume 0.73100E+00 ppm1 8.572 ppm2 5.791
ASSI (
(( segid " " and resid 9 and name HN ))
)(
(( segid " " and resid 11 and name HN ))
)
6.000 6.000 0.000 peak 6286 weight 0.10000E+01 volume 0.22600E+00 ppm1 8.569 ppm2 6.441
ASSI (
(( segid " " and resid 10 and name HN ))
)(
(( segid " " and resid 8 and name HB1 ))
)
5.000 5.000 0.000 peak 5806 weight 0.10000E+01 volume 0.56100E+00 ppm1 5.801 ppm2 1.232
ASSI (
(( segid " " and resid 10 and name HN ))
)(
(( segid " " and resid 8 and name HB2 ))
)
5.000 5.000 0.000 peak 5807 weight 0.10000E+01 volume 0.51800E+00 ppm1 5.801 ppm2 -0.095
ASSI (
(( segid " " and resid 10 and name HN ))
)(
(( segid " " and resid 9 and name HA ))
)
5.000 5.000 0.000 peak 6290 weight 0.10000E+01 volume 0.30400E+00 ppm1 5.799 ppm2 4.011
ASSI (
(( segid " " and resid 10 and name HN ))
)(
(( segid " " and resid 10 and name HA ))
)
5.000 5.000 0.000 peak 6178 weight 0.10000E+01 volume 0.39000E+00 ppm1 5.801 ppm2 3.513
ASSI (
(( segid " " and resid 10 and name HN ))
)(
(( segid " " and resid 10 and name HB1 ))
)
6.000 6.000 0.000 peak 6288 weight 0.10000E+01 volume 0.21500E+00 ppm1 5.803 ppm2 2.499
ASSI (
(( segid " " and resid 10 and name HN ))
)(
(( segid " " and resid 10 and name HB2 ))
)
6.000 6.000 0.000 peak 6287 weight 0.10000E+01 volume 0.26800E+00 ppm1 5.802 ppm2 2.143
ASSI (
(( segid " " and resid 10 and name HN ))
)(
(( segid " " and resid 10 and name HD2 ))
OR
(( segid " " and resid 10 and name HD1 ))
)
5.000 5.000 0.000 peak 6180 weight 0.10000E+01 volume 0.71500E+00 ppm1 5.799 ppm2 6.651
ASSI (
(( segid " " and resid 10 and name HN ))
)(
(( segid " " and resid 11 and name HN ))
)
5.000 5.000 0.000 peak 6179 weight 0.10000E+01 volume 0.80800E+00 ppm1 5.802 ppm2 6.444
ASSI (
(( segid " " and resid 11 and name HN ))
)(
(( segid " " and resid 8 and name HB2 ))
)
5.000 5.000 0.000 peak 5812 weight 0.10000E+01 volume 0.56200E+00 ppm1 6.451 ppm2 -0.092
ASSI (
(( segid " " and resid 11 and name HN ))
)(
(( segid " " and resid 8 and name HD13))
OR
(( segid " " and resid 8 and name HD12))
OR
(( segid " " and resid 8 and name HD11))
)
5.000 5.000 0.000 peak 6182 weight 0.10000E+01 volume 0.36900E+00 ppm1 6.450 ppm2 -0.296
ASSI (
(( segid " " and resid 11 and name HN ))
)(
(( segid " " and resid 10 and name HA ))
)
5.000 5.000 0.000 peak 5809 weight 0.10000E+01 volume 0.61200E+00 ppm1 6.451 ppm2 3.521
ASSI (
(( segid " " and resid 11 and name HN ))
)(
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)
3.300 3.300 0.000 peak 6185 weight 0.10000E+01 volume 0.16280E+01 ppm1 6.450 ppm2 1.224
ASSI (
(( segid " " and resid 11 and name HN ))
)(
(( segid " " and resid 34 and name HG ))
)
5.000 5.000 0.000 peak 5810 weight 0.10000E+01 volume 0.64000E+00 ppm1 6.451 ppm2 1.018
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 11 and name HA ))
)
3.300 3.300 0.000 peak 5816 weight 0.10000E+01 volume 0.17770E+01 ppm1 8.625 ppm2 4.890
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
OR
(( segid " " and resid 11 and name HB1 ))
)
3.300 3.300 0.000 peak 7757 weight 0.10000E+01 volume 0.23610E+01 ppm1 8.625 ppm2 1.223
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
OR
(( segid " " and resid 12 and name HB1 ))
)
3.300 3.300 0.000 peak 6190 weight 0.10000E+01 volume 0.25960E+01 ppm1 8.627 ppm2 1.185
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 13 and name HD1 ))
)
6.000 6.000 0.000 peak 6300 weight 0.10000E+01 volume 0.20100E+00 ppm1 8.628 ppm2 3.411
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 13 and name HD2 ))
)
6.000 6.000 0.000 peak 6299 weight 0.10000E+01 volume 0.24000E+00 ppm1 8.627 ppm2 3.246
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)
3.300 3.300 0.000 peak 8063 weight 0.10000E+01 volume 0.16880E+01 ppm1 8.627 ppm2 1.071
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 32 and name HN ))
)
5.000 5.000 0.000 peak 5813 weight 0.10000E+01 volume 0.90600E+00 ppm1 8.626 ppm2 8.927
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 33 and name HA ))
)
5.000 5.000 0.000 peak 5815 weight 0.10000E+01 volume 0.45600E+00 ppm1 8.625 ppm2 5.082
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 34 and name HG ))
)
5.000 5.000 0.000 peak 6296 weight 0.10000E+01 volume 0.11720E+01 ppm1 8.626 ppm2 1.015
ASSI (
(( segid " " and resid 12 and name HN ))
)(
(( segid " " and resid 34 and name HN ))
)
5.000 5.000 0.000 peak 6194 weight 0.10000E+01 volume 0.40200E+00 ppm1 8.626 ppm2 7.391
ASSI (
(( segid " " and resid 14 and name HN ))
)(
(( segid " " and resid 14 and name HA ))
)
5.000 5.000 0.000 peak 6202 weight 0.10000E+01 volume 0.11580E+01 ppm1 8.217 ppm2 4.080
ASSI (
(( segid " " and resid 14 and name HN ))
)(
(( segid " " and resid 14 and name HB2 ))
)
3.300 3.300 0.000 peak 6196 weight 0.10000E+01 volume 0.19980E+01 ppm1 8.217 ppm2 1.569
ASSI (
(( segid " " and resid 14 and name HN ))
)(
(( segid " " and resid 15 and name HB1 ))
)
5.000 5.000 0.000 peak 6305 weight 0.10000E+01 volume 0.76200E+00 ppm1 8.218 ppm2 2.708
ASSI (
(( segid " " and resid 14 and name HN ))
)(
(( segid " " and resid 15 and name HB2 ))
)
5.000 5.000 0.000 peak 6304 weight 0.10000E+01 volume 0.54800E+00 ppm1 8.218 ppm2 2.488
ASSI (
(( segid " " and resid 14 and name HN ))
)(
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)
5.000 5.000 0.000 peak 6195 weight 0.10000E+01 volume 0.39700E+00 ppm1 8.217 ppm2 1.104
ASSI (
(( segid " " and resid 14 and name HN ))
)(
(( segid " " and resid 32 and name HN ))
)
5.000 5.000 0.000 peak 6203 weight 0.10000E+01 volume 0.49700E+00 ppm1 8.218 ppm2 8.927
ASSI (
(( segid " " and resid 15 and name HN ))
)(
(( segid " " and resid 14 and name HA ))
)
3.300 3.300 0.000 peak 5821 weight 0.10000E+01 volume 0.18970E+01 ppm1 8.128 ppm2 4.084
ASSI (
(( segid " " and resid 15 and name HN ))
)(
(( segid " " and resid 14 and name HB1 ))
)
5.000 5.000 0.000 peak 5822 weight 0.10000E+01 volume 0.11130E+01 ppm1 8.128 ppm2 1.854
ASSI (
(( segid " " and resid 15 and name HN ))
)(
(( segid " " and resid 14 and name HB2 ))
)
3.300 3.300 0.000 peak 5823 weight 0.10000E+01 volume 0.18460E+01 ppm1 8.128 ppm2 1.565
ASSI (
(( segid " " and resid 15 and name HN ))
)(
(( segid " " and resid 14 and name HG2 ))
OR
(( segid " " and resid 14 and name HG1 ))
)
5.000 5.000 0.000 peak 6206 weight 0.10000E+01 volume 0.42700E+00 ppm1 8.128 ppm2 2.240
ASSI (
(( segid " " and resid 15 and name HN ))
)(
(( segid " " and resid 15 and name HA ))
)
5.000 5.000 0.000 peak 6210 weight 0.10000E+01 volume 0.11970E+01 ppm1 8.128 ppm2 4.550
ASSI (
(( segid " " and resid 15 and name HN ))
)(
(( segid " " and resid 15 and name HB1 ))
)
3.300 3.300 0.000 peak 6208 weight 0.10000E+01 volume 0.21020E+01 ppm1 8.128 ppm2 2.699
ASSI (
(( segid " " and resid 15 and name HN ))
)(
(( segid " " and resid 15 and name HB2 ))
)
3.300 3.300 0.000 peak 6207 weight 0.10000E+01 volume 0.16260E+01 ppm1 8.128 ppm2 2.470
ASSI (
(( segid " " and resid 15 and name HN ))
)(
(( segid " " and resid 16 and name HG12))
)
6.000 6.000 0.000 peak 6205 weight 0.10000E+01 volume 0.24800E+00 ppm1 8.128 ppm2 1.106
ASSI (
(( segid " " and resid 15 and name HN ))
)(
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)
5.000 5.000 0.000 peak 6204 weight 0.10000E+01 volume 0.39600E+00 ppm1 8.127 ppm2 0.824
ASSI (
(( segid " " and resid 15 and name HN ))
)(
(( segid " " and resid 16 and name HN ))
)
5.000 5.000 0.000 peak 5820 weight 0.10000E+01 volume 0.13970E+01 ppm1 8.129 ppm2 7.813
ASSI (
(( segid " " and resid 16 and name HN ))
)(
(( segid " " and resid 16 and name HA ))
)
3.300 3.300 0.000 peak 7810 weight 0.10000E+01 volume 0.25510E+01 ppm1 7.810 ppm2 4.113
ASSI (
(( segid " " and resid 16 and name HN ))
)(
(( segid " " and resid 16 and name HB ))
)
3.300 3.300 0.000 peak 7817 weight 0.10000E+01 volume 0.20310E+01 ppm1 7.807 ppm2 1.897
ASSI (
(( segid " " and resid 16 and name HN ))
)(
(( segid " " and resid 17 and name HN ))
)
3.300 3.300 0.000 peak 5824 weight 0.10000E+01 volume 0.26340E+01 ppm1 7.807 ppm2 8.198
ASSI (
(( segid " " and resid 17 and name HN ))
)(
(( segid " " and resid 17 and name HA ))
)
3.300 3.300 0.000 peak 5830 weight 0.10000E+01 volume 0.15100E+01 ppm1 8.202 ppm2 4.345
ASSI (
(( segid " " and resid 18 and name HN ))
)(
(( segid " " and resid 18 and name HD23))
OR
(( segid " " and resid 18 and name HD22))
OR
(( segid " " and resid 18 and name HD21))
)
5.000 5.000 0.000 peak 6216 weight 0.10000E+01 volume 0.70000E+00 ppm1 8.053 ppm2 0.858
ASSI (
(( segid " " and resid 18 and name HN ))
)(
(( segid " " and resid 20 and name HN ))
)
6.000 6.000 0.000 peak 6312 weight 0.10000E+01 volume 0.13400E+00 ppm1 8.053 ppm2 7.661
ASSI (
(( segid " " and resid 19 and name HN ))
)(
(( segid " " and resid 18 and name HA ))
)
2.700 2.700 0.000 peak 6225 weight 0.10000E+01 volume 0.32100E+01 ppm1 8.087 ppm2 4.413
ASSI (
(( segid " " and resid 19 and name HN ))
)(
(( segid " " and resid 18 and name HB1 ))
)
5.000 5.000 0.000 peak 5840 weight 0.10000E+01 volume 0.10070E+01 ppm1 8.088 ppm2 1.692
ASSI (
(( segid " " and resid 19 and name HN ))
)(
(( segid " " and resid 18 and name HB2 ))
)
5.000 5.000 0.000 peak 6314 weight 0.10000E+01 volume 0.10560E+01 ppm1 8.088 ppm2 1.634
ASSI (
(( segid " " and resid 19 and name HN ))
)(
(( segid " " and resid 18 and name HD23))
OR
(( segid " " and resid 18 and name HD22))
OR
(( segid " " and resid 18 and name HD21))
)
5.000 5.000 0.000 peak 5841 weight 0.10000E+01 volume 0.49200E+00 ppm1 8.088 ppm2 0.858
ASSI (
(( segid " " and resid 19 and name HN ))
)(
(( segid " " and resid 19 and name HG23))
OR
(( segid " " and resid 19 and name HG22))
OR
(( segid " " and resid 19 and name HG21))
)
5.000 5.000 0.000 peak 6223 weight 0.10000E+01 volume 0.11700E+01 ppm1 8.087 ppm2 1.111
ASSI (
(( segid " " and resid 19 and name HN ))
)(
(( segid " " and resid 20 and name HG2 ))
OR
(( segid " " and resid 20 and name HG1 ))
)
6.000 6.000 0.000 peak 6224 weight 0.10000E+01 volume 0.24000E+00 ppm1 8.087 ppm2 2.026
ASSI (
(( segid " " and resid 20 and name HN ))
)(
(( segid " " and resid 18 and name HA ))
)
5.000 5.000 0.000 peak 6236 weight 0.10000E+01 volume 0.94500E+00 ppm1 7.663 ppm2 4.407
ASSI (
(( segid " " and resid 20 and name HN ))
)(
(( segid " " and resid 19 and name HN ))
)
2.700 2.700 0.000 peak 5843 weight 0.10000E+01 volume 0.32910E+01 ppm1 7.663 ppm2 8.098
ASSI (
(( segid " " and resid 20 and name HN ))
)(
(( segid " " and resid 20 and name HA ))
)
3.300 3.300 0.000 peak 6234 weight 0.10000E+01 volume 0.28930E+01 ppm1 7.664 ppm2 4.258
ASSI (
(( segid " " and resid 20 and name HN ))
)(
(( segid " " and resid 20 and name HB2 ))
OR
(( segid " " and resid 20 and name HB1 ))
)
2.700 2.700 0.000 peak 6230 weight 0.10000E+01 volume 0.30310E+01 ppm1 7.662 ppm2 1.705
ASSI (
(( segid " " and resid 21 and name HN ))
)(
(( segid " " and resid 20 and name HB2 ))
OR
(( segid " " and resid 20 and name HB1 ))
)
5.000 5.000 0.000 peak 5850 weight 0.10000E+01 volume 0.95200E+00 ppm1 8.146 ppm2 1.719
ASSI (
(( segid " " and resid 21 and name HN ))
)(
(( segid " " and resid 20 and name HG2 ))
OR
(( segid " " and resid 20 and name HG1 ))
)
5.000 5.000 0.000 peak 5848 weight 0.10000E+01 volume 0.46700E+00 ppm1 8.149 ppm2 2.035
ASSI (
(( segid " " and resid 21 and name HN ))
)(
(( segid " " and resid 20 and name HN ))
)
5.000 5.000 0.000 peak 5847 weight 0.10000E+01 volume 0.49100E+00 ppm1 8.146 ppm2 7.657
ASSI (
(( segid " " and resid 21 and name HN ))
)(
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)
5.000 5.000 0.000 peak 6238 weight 0.10000E+01 volume 0.89400E+00 ppm1 8.145 ppm2 1.059
ASSI (
(( segid " " and resid 21 and name HN ))
)(
(( segid " " and resid 22 and name HN ))
)
3.300 3.300 0.000 peak 5846 weight 0.10000E+01 volume 0.25980E+01 ppm1 8.146 ppm2 7.295
ASSI (
(( segid " " and resid 22 and name HN ))
)(
(( segid " " and resid 21 and name HB ))
)
3.300 3.300 0.000 peak 5853 weight 0.10000E+01 volume 0.17210E+01 ppm1 7.316 ppm2 4.280
ASSI (
(( segid " " and resid 22 and name HN ))
)(
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)
5.000 5.000 0.000 peak 5857 weight 0.10000E+01 volume 0.43200E+00 ppm1 7.315 ppm2 1.059
ASSI (
(( segid " " and resid 22 and name HN ))
)(
(( segid " " and resid 22 and name HB2 ))
OR
(( segid " " and resid 22 and name HB1 ))
)
3.300 3.300 0.000 peak 6241 weight 0.10000E+01 volume 0.25650E+01 ppm1 7.314 ppm2 1.521
ASSI (
(( segid " " and resid 22 and name HN ))
)(
(( segid " " and resid 23 and name HN ))
)
6.000 6.000 0.000 peak 6246 weight 0.10000E+01 volume 0.28800E+00 ppm1 7.314 ppm2 8.828
ASSI (
(( segid " " and resid 22 and name HE ))
)(
(( segid " " and resid 22 and name HD1 ))
)
5.000 5.000 0.000 peak 8198 weight 0.10000E+01 volume 0.14560E+01 ppm1 7.191 ppm2 3.105
ASSI (
(( segid " " and resid 22 and name HE ))
)(
(( segid " " and resid 22 and name HD2 ))
)
3.300 3.300 0.000 peak 8197 weight 0.10000E+01 volume 0.15180E+01 ppm1 7.191 ppm2 3.050
ASSI (
(( segid " " and resid 23 and name HN ))
)(
(( segid " " and resid 1 and name HB1 ))
)
5.000 5.000 0.000 peak 6249 weight 0.10000E+01 volume 0.13320E+01 ppm1 8.827 ppm2 2.754
ASSI (
(( segid " " and resid 23 and name HN ))
)(
(( segid " " and resid 1 and name HB2 ))
)
5.000 5.000 0.000 peak 6317 weight 0.10000E+01 volume 0.10310E+01 ppm1 8.827 ppm2 2.609
ASSI (
(( segid " " and resid 23 and name HN ))
)(
(( segid " " and resid 2 and name HB2 ))
)
5.000 5.000 0.000 peak 6247 weight 0.10000E+01 volume 0.35400E+00 ppm1 8.826 ppm2 2.235
ASSI (
(( segid " " and resid 23 and name HN ))
)(
(( segid " " and resid 23 and name HA ))
)
5.000 5.000 0.000 peak 6251 weight 0.10000E+01 volume 0.69100E+00 ppm1 8.825 ppm2 4.675
ASSI (
(( segid " " and resid 23 and name HN ))
)(
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)
3.300 3.300 0.000 peak 5859 weight 0.10000E+01 volume 0.17150E+01 ppm1 8.827 ppm2 7.314
ASSI (
(( segid " " and resid 23 and name HN ))
)(
(( segid " " and resid 24 and name HN ))
)
5.000 5.000 0.000 peak 6254 weight 0.10000E+01 volume 0.42400E+00 ppm1 8.828 ppm2 8.548
ASSI (
(( segid " " and resid 24 and name HN ))
)(
(( segid " " and resid 23 and name HA ))
)
3.300 3.300 0.000 peak 5862 weight 0.10000E+01 volume 0.28640E+01 ppm1 8.544 ppm2 4.674
ASSI (
(( segid " " and resid 24 and name HN ))
)(
(( segid " " and resid 23 and name HB2 ))
)
5.000 5.000 0.000 peak 5864 weight 0.10000E+01 volume 0.71700E+00 ppm1 8.544 ppm2 2.746
ASSI (
(( segid " " and resid 24 and name HN ))
)(
(( segid " " and resid 23 and name HD2 ))
OR
(( segid " " and resid 23 and name HD1 ))
)
5.000 5.000 0.000 peak 5863 weight 0.10000E+01 volume 0.62800E+00 ppm1 8.544 ppm2 7.302
ASSI (
(( segid " " and resid 24 and name HN ))
)(
(( segid " " and resid 24 and name HG1 ))
)
3.300 3.300 0.000 peak 6323 weight 0.10000E+01 volume 0.20530E+01 ppm1 8.546 ppm2 1.502
ASSI (
(( segid " " and resid 24 and name HN ))
)(
(( segid " " and resid 24 and name HG2 ))
)
3.300 3.300 0.000 peak 6321 weight 0.10000E+01 volume 0.19950E+01 ppm1 8.547 ppm2 1.428
ASSI (
(( segid " " and resid 25 and name HN ))
)(
(( segid " " and resid 25 and name HB ))
)
3.300 3.300 0.000 peak 6261 weight 0.10000E+01 volume 0.15380E+01 ppm1 8.601 ppm2 3.786
ASSI (
(( segid " " and resid 25 and name HN ))
)(
(( segid " " and resid 27 and name HN ))
)
6.000 6.000 0.000 peak 6327 weight 0.10000E+01 volume 0.19500E+00 ppm1 8.603 ppm2 7.866
ASSI (
(( segid " " and resid 26 and name HN ))
)(
(( segid " " and resid 25 and name HB ))
)
5.000 5.000 0.000 peak 5879 weight 0.10000E+01 volume 0.60000E+00 ppm1 9.168 ppm2 3.784
ASSI (
(( segid " " and resid 26 and name HN ))
)(
(( segid " " and resid 25 and name HN ))
)
5.000 5.000 0.000 peak 6329 weight 0.10000E+01 volume 0.42200E+00 ppm1 9.167 ppm2 8.557
ASSI (
(( segid " " and resid 26 and name HN ))
)(
(( segid " " and resid 27 and name HB ))
)
5.000 5.000 0.000 peak 6265 weight 0.10000E+01 volume 0.42600E+00 ppm1 9.166 ppm2 4.020
ASSI (
(( segid " " and resid 26 and name HN ))
)(
(( segid " " and resid 27 and name HN ))
)
5.000 5.000 0.000 peak 5878 weight 0.10000E+01 volume 0.78400E+00 ppm1 9.167 ppm2 7.868
ASSI (
(( segid " " and resid 26 and name HN ))
)(
(( segid " " and resid 48 and name HB1 ))
)
5.000 5.000 0.000 peak 5881 weight 0.10000E+01 volume 0.48800E+00 ppm1 9.168 ppm2 2.370
ASSI (
(( segid " " and resid 26 and name HN ))
)(
(( segid " " and resid 48 and name HB2 ))
)
5.000 5.000 0.000 peak 5882 weight 0.10000E+01 volume 0.35500E+00 ppm1 9.167 ppm2 1.325
ASSI (
(( segid " " and resid 27 and name HN ))
)(
(( segid " " and resid 25 and name HA ))
)
5.000 5.000 0.000 peak 6345 weight 0.10000E+01 volume 0.11880E+01 ppm1 7.869 ppm2 3.499
ASSI (
(( segid " " and resid 27 and name HN ))
)(
(( segid " " and resid 25 and name HB ))
)
5.000 5.000 0.000 peak 6347 weight 0.10000E+01 volume 0.43400E+00 ppm1 7.871 ppm2 3.802
ASSI (
(( segid " " and resid 27 and name HN ))
)(
(( segid " " and resid 26 and name HA1 ))
)
5.000 5.000 0.000 peak 6350 weight 0.10000E+01 volume 0.80000E+00 ppm1 7.869 ppm2 4.372
ASSI (
(( segid " " and resid 27 and name HN ))
)(
(( segid " " and resid 27 and name HA ))
)
3.300 3.300 0.000 peak 6348 weight 0.10000E+01 volume 0.26150E+01 ppm1 7.869 ppm2 4.047
ASSI (
(( segid " " and resid 27 and name HN ))
)(
(( segid " " and resid 28 and name HN ))
)
5.000 5.000 0.000 peak 6354 weight 0.10000E+01 volume 0.41600E+00 ppm1 7.868 ppm2 8.728
ASSI (
(( segid " " and resid 27 and name HN ))
)(
(( segid " " and resid 48 and name HB1 ))
)
5.000 5.000 0.000 peak 6343 weight 0.10000E+01 volume 0.86000E+00 ppm1 7.868 ppm2 2.374
ASSI (
(( segid " " and resid 27 and name HN ))
)(
(( segid " " and resid 48 and name HB2 ))
)
5.000 5.000 0.000 peak 6336 weight 0.10000E+01 volume 0.10100E+01 ppm1 7.869 ppm2 1.324
ASSI (
(( segid " " and resid 28 and name HN ))
)(
(( segid " " and resid 27 and name HA ))
)
2.700 2.700 0.000 peak 6360 weight 0.10000E+01 volume 0.53720E+01 ppm1 8.731 ppm2 4.062
ASSI (
(( segid " " and resid 28 and name HN ))
)(
(( segid " " and resid 27 and name HG23))
OR
(( segid " " and resid 27 and name HG22))
OR
(( segid " " and resid 27 and name HG21))
)
3.300 3.300 0.000 peak 5886 weight 0.10000E+01 volume 0.26200E+01 ppm1 8.736 ppm2 1.494
ASSI (
(( segid " " and resid 28 and name HN ))
)(
(( segid " " and resid 28 and name HB ))
)
3.300 3.300 0.000 peak 7964 weight 0.10000E+01 volume 0.28550E+01 ppm1 8.731 ppm2 3.942
ASSI (
(( segid " " and resid 28 and name HN ))
)(
(( segid " " and resid 29 and name HN ))
)
5.000 5.000 0.000 peak 6376 weight 0.10000E+01 volume 0.50800E+00 ppm1 8.732 ppm2 9.273
ASSI (
(( segid " " and resid 29 and name HN ))
)(
(( segid " " and resid 29 and name HA ))
)
5.000 5.000 0.000 peak 6368 weight 0.10000E+01 volume 0.40500E+00 ppm1 9.267 ppm2 4.754
ASSI (
(( segid " " and resid 29 and name HN ))
)(
(( segid " " and resid 29 and name HB1 ))
)
5.000 5.000 0.000 peak 6365 weight 0.10000E+01 volume 0.89800E+00 ppm1 9.269 ppm2 1.622
ASSI (
(( segid " " and resid 29 and name HN ))
)(
(( segid " " and resid 29 and name HB2 ))
)
5.000 5.000 0.000 peak 6363 weight 0.10000E+01 volume 0.76400E+00 ppm1 9.268 ppm2 1.299
ASSI (
(( segid " " and resid 29 and name HN ))
)(
(( segid " " and resid 29 and name HD13))
OR
(( segid " " and resid 29 and name HD12))
OR
(( segid " " and resid 29 and name HD11))
)
5.000 5.000 0.000 peak 5898 weight 0.10000E+01 volume 0.33200E+00 ppm1 9.271 ppm2 0.073
ASSI (
(( segid " " and resid 29 and name HN ))
)(
(( segid " " and resid 29 and name HG ))
)
5.000 5.000 0.000 peak 5894 weight 0.10000E+01 volume 0.94200E+00 ppm1 9.268 ppm2 1.473
ASSI (
(( segid " " and resid 29 and name HN ))
)(
(( segid " " and resid 45 and name HA ))
)
5.000 5.000 0.000 peak 6370 weight 0.10000E+01 volume 0.37600E+00 ppm1 9.267 ppm2 5.213
ASSI (
(( segid " " and resid 29 and name HN ))
)(
(( segid " " and resid 46 and name HN ))
)
5.000 5.000 0.000 peak 5889 weight 0.10000E+01 volume 0.79800E+00 ppm1 9.268 ppm2 8.477
ASSI (
(( segid " " and resid 29 and name HN ))
)(
(( segid " " and resid 47 and name HA ))
)
5.000 5.000 0.000 peak 6372 weight 0.10000E+01 volume 0.12430E+01 ppm1 9.268 ppm2 5.572
ASSI (
(( segid " " and resid 30 and name HN ))
)(
(( segid " " and resid 29 and name HA ))
)
3.300 3.300 0.000 peak 5899 weight 0.10000E+01 volume 0.24170E+01 ppm1 8.741 ppm2 4.742
ASSI (
(( segid " " and resid 30 and name HN ))
)(
(( segid " " and resid 29 and name HB1 ))
)
3.300 3.300 0.000 peak 7978 weight 0.10000E+01 volume 0.26070E+01 ppm1 8.741 ppm2 1.611
ASSI (
(( segid " " and resid 30 and name HN ))
)(
(( segid " " and resid 29 and name HB2 ))
)
5.000 5.000 0.000 peak 5903 weight 0.10000E+01 volume 0.96800E+00 ppm1 8.742 ppm2 1.306
ASSI (
(( segid " " and resid 30 and name HN ))
)(
(( segid " " and resid 30 and name HB2 ))
)
3.300 3.300 0.000 peak 5902 weight 0.10000E+01 volume 0.22240E+01 ppm1 8.741 ppm2 1.667
ASSI (
(( segid " " and resid 30 and name HN ))
)(
(( segid " " and resid 31 and name HE2 ))
OR
(( segid " " and resid 31 and name HE1 ))
)
6.000 6.000 0.000 peak 6380 weight 0.10000E+01 volume 0.26400E+00 ppm1 8.739 ppm2 6.220
ASSI (
(( segid " " and resid 30 and name HN ))
)(
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)
5.000 5.000 0.000 peak 6356 weight 0.10000E+01 volume 0.42200E+00 ppm1 8.740 ppm2 0.892
ASSI (
(( segid " " and resid 32 and name HN ))
)(
(( segid " " and resid 13 and name HA ))
)
5.000 5.000 0.000 peak 5909 weight 0.10000E+01 volume 0.51000E+00 ppm1 8.927 ppm2 3.113
ASSI (
(( segid " " and resid 32 and name HN ))
)(
(( segid " " and resid 14 and name HB2 ))
)
5.000 5.000 0.000 peak 6386 weight 0.10000E+01 volume 0.34300E+00 ppm1 8.931 ppm2 1.580
ASSI (
(( segid " " and resid 32 and name HN ))
)(
(( segid " " and resid 14 and name HG2 ))
OR
(( segid " " and resid 14 and name HG1 ))
)
5.000 5.000 0.000 peak 6387 weight 0.10000E+01 volume 0.39700E+00 ppm1 8.926 ppm2 2.234
ASSI (
(( segid " " and resid 32 and name HN ))
)(
(( segid " " and resid 31 and name HB1 ))
)
5.000 5.000 0.000 peak 5912 weight 0.10000E+01 volume 0.66100E+00 ppm1 8.926 ppm2 2.639
ASSI (
(( segid " " and resid 32 and name HN ))
)(
(( segid " " and resid 31 and name HB2 ))
)
5.000 5.000 0.000 peak 5913 weight 0.10000E+01 volume 0.71900E+00 ppm1 8.926 ppm2 2.501
ASSI (
(( segid " " and resid 32 and name HN ))
)(
(( segid " " and resid 31 and name HN ))
)
5.000 5.000 0.000 peak 6394 weight 0.10000E+01 volume 0.41200E+00 ppm1 8.929 ppm2 8.395
ASSI (
(( segid " " and resid 33 and name HN ))
)(
(( segid " " and resid 32 and name HA ))
)
3.300 3.300 0.000 peak 5915 weight 0.10000E+01 volume 0.25960E+01 ppm1 8.427 ppm2 4.707
ASSI (
(( segid " " and resid 33 and name HN ))
)(
(( segid " " and resid 33 and name HA ))
)
5.000 5.000 0.000 peak 5914 weight 0.10000E+01 volume 0.83500E+00 ppm1 8.428 ppm2 5.089
ASSI (
(( segid " " and resid 34 and name HN ))
)(
(( segid " " and resid 33 and name HB1 ))
)
5.000 5.000 0.000 peak 5927 weight 0.10000E+01 volume 0.31400E+00 ppm1 7.386 ppm2 3.225
ASSI (
(( segid " " and resid 36 and name HN ))
)(
(( segid " " and resid 35 and name HB2 ))
)
5.000 5.000 0.000 peak 6408 weight 0.10000E+01 volume 0.31900E+00 ppm1 8.269 ppm2 1.778
ASSI (
(( segid " " and resid 36 and name HN ))
)(
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)
5.000 5.000 0.000 peak 6413 weight 0.10000E+01 volume 0.44800E+00 ppm1 8.268 ppm2 6.677
ASSI (
(( segid " " and resid 37 and name HN ))
)(
(( segid " " and resid 36 and name HA1 ))
)
5.000 5.000 0.000 peak 5936 weight 0.10000E+01 volume 0.56400E+00 ppm1 8.127 ppm2 3.696
ASSI (
(( segid " " and resid 37 and name HN ))
)(
(( segid " " and resid 37 and name HB2 ))
)
5.000 5.000 0.000 peak 6415 weight 0.10000E+01 volume 0.66100E+00 ppm1 8.128 ppm2 2.624
ASSI (
(( segid " " and resid 37 and name HN ))
)(
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 5939 weight 0.10000E+01 volume 0.39700E+00 ppm1 8.128 ppm2 0.528
ASSI (
(( segid " " and resid 37 and name HN ))
)(
(( segid " " and resid 60 and name HB2 ))
OR
(( segid " " and resid 60 and name HB1 ))
)
5.000 5.000 0.000 peak 6417 weight 0.10000E+01 volume 0.33100E+00 ppm1 8.123 ppm2 2.989
ASSI (
(( segid " " and resid 37 and name HN ))
)(
(( segid " " and resid 62 and name HB1 ))
)
5.000 5.000 0.000 peak 5775 weight 0.10000E+01 volume 0.35400E+00 ppm1 8.124 ppm2 2.776
ASSI (
(( segid " " and resid 38 and name HN ))
)(
(( segid " " and resid 37 and name HB2 ))
)
5.000 5.000 0.000 peak 5941 weight 0.10000E+01 volume 0.36500E+00 ppm1 9.248 ppm2 2.629
ASSI (
(( segid " " and resid 38 and name HN ))
)(
(( segid " " and resid 37 and name HD2 ))
OR
(( segid " " and resid 37 and name HD1 ))
)
5.000 5.000 0.000 peak 5945 weight 0.10000E+01 volume 0.34700E+00 ppm1 9.246 ppm2 6.684
ASSI (
(( segid " " and resid 38 and name HN ))
)(
(( segid " " and resid 38 and name HG23))
OR
(( segid " " and resid 38 and name HG22))
OR
(( segid " " and resid 38 and name HG21))
OR
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 5940 weight 0.10000E+01 volume 0.10320E+01 ppm1 9.243 ppm2 0.541
ASSI (
(( segid " " and resid 38 and name HN ))
)(
(( segid " " and resid 39 and name HN ))
)
6.000 6.000 0.000 peak 5947 weight 0.10000E+01 volume 0.29600E+00 ppm1 9.252 ppm2 8.366
ASSI (
(( segid " " and resid 38 and name HN ))
)(
(( segid " " and resid 60 and name HB2 ))
OR
(( segid " " and resid 60 and name HB1 ))
)
5.000 5.000 0.000 peak 5942 weight 0.10000E+01 volume 0.44200E+00 ppm1 9.247 ppm2 2.982
ASSI (
(( segid " " and resid 39 and name HE ))
)(
(( segid " " and resid 39 and name HD2 ))
OR
(( segid " " and resid 39 and name HD1 ))
)
3.300 3.300 0.000 peak 8193 weight 0.10000E+01 volume 0.20100E+01 ppm1 7.060 ppm2 3.175
ASSI (
(( segid " " and resid 40 and name HN ))
)(
(( segid " " and resid 39 and name HB2 ))
OR
(( segid " " and resid 39 and name HB1 ))
)
5.000 5.000 0.000 peak 5949 weight 0.10000E+01 volume 0.11070E+01 ppm1 8.430 ppm2 1.910
ASSI (
(( segid " " and resid 40 and name HN ))
)(
(( segid " " and resid 39 and name HD2 ))
OR
(( segid " " and resid 39 and name HD1 ))
)
5.000 5.000 0.000 peak 6435 weight 0.10000E+01 volume 0.34300E+00 ppm1 8.432 ppm2 3.166
ASSI (
(( segid " " and resid 40 and name HN ))
)(
(( segid " " and resid 40 and name HA ))
)
5.000 5.000 0.000 peak 6439 weight 0.10000E+01 volume 0.11810E+01 ppm1 8.432 ppm2 4.517
ASSI (
(( segid " " and resid 40 and name HN ))
)(
(( segid " " and resid 41 and name HN ))
)
5.000 5.000 0.000 peak 6440 weight 0.10000E+01 volume 0.42700E+00 ppm1 8.434 ppm2 8.045
ASSI (
(( segid " " and resid 40 and name HN ))
)(
(( segid " " and resid 60 and name HA ))
)
5.000 5.000 0.000 peak 5217 weight 0.10000E+01 volume 0.68800E+00 ppm1 8.432 ppm2 5.537
ASSI (
(( segid " " and resid 41 and name HN ))
)(
(( segid " " and resid 39 and name HA ))
)
5.000 5.000 0.000 peak 6453 weight 0.10000E+01 volume 0.95700E+00 ppm1 8.043 ppm2 4.671
ASSI (
(( segid " " and resid 41 and name HN ))
)(
(( segid " " and resid 39 and name HB2 ))
OR
(( segid " " and resid 39 and name HB1 ))
)
5.000 5.000 0.000 peak 6444 weight 0.10000E+01 volume 0.49900E+00 ppm1 8.044 ppm2 1.917
ASSI (
(( segid " " and resid 41 and name HN ))
)(
(( segid " " and resid 40 and name HA ))
)
5.000 5.000 0.000 peak 6452 weight 0.10000E+01 volume 0.95600E+00 ppm1 8.043 ppm2 4.533
ASSI (
(( segid " " and resid 41 and name HN ))
)(
(( segid " " and resid 40 and name HB1 ))
)
5.000 5.000 0.000 peak 6450 weight 0.10000E+01 volume 0.59500E+00 ppm1 8.044 ppm2 3.901
ASSI (
(( segid " " and resid 41 and name HN ))
)(
(( segid " " and resid 41 and name HB1 ))
)
5.000 5.000 0.000 peak 6446 weight 0.10000E+01 volume 0.56900E+00 ppm1 8.041 ppm2 3.361
ASSI (
(( segid " " and resid 41 and name HN ))
)(
(( segid " " and resid 41 and name HB2 ))
)
5.000 5.000 0.000 peak 6443 weight 0.10000E+01 volume 0.61600E+00 ppm1 8.042 ppm2 3.122
ASSI (
(( segid " " and resid 43 and name HN ))
)(
(( segid " " and resid 41 and name HB1 ))
)
5.000 5.000 0.000 peak 5951 weight 0.10000E+01 volume 0.53400E+00 ppm1 8.262 ppm2 3.362
ASSI (
(( segid " " and resid 43 and name HN ))
)(
(( segid " " and resid 41 and name HB2 ))
)
5.000 5.000 0.000 peak 6461 weight 0.10000E+01 volume 0.41900E+00 ppm1 8.262 ppm2 3.120
ASSI (
(( segid " " and resid 43 and name HN ))
)(
(( segid " " and resid 42 and name HB2 ))
)
3.300 3.300 0.000 peak 5952 weight 0.10000E+01 volume 0.19320E+01 ppm1 8.262 ppm2 3.831
ASSI (
(( segid " " and resid 46 and name HN ))
)(
(( segid " " and resid 45 and name HG23))
OR
(( segid " " and resid 45 and name HG22))
OR
(( segid " " and resid 45 and name HG21))
)
5.000 5.000 0.000 peak 5957 weight 0.10000E+01 volume 0.80900E+00 ppm1 8.481 ppm2 0.899
ASSI (
(( segid " " and resid 46 and name HN ))
)(
(( segid " " and resid 45 and name HN ))
)
5.000 5.000 0.000 peak 4948 weight 0.10000E+01 volume 0.37200E+00 ppm1 8.482 ppm2 6.513
ASSI (
(( segid " " and resid 46 and name HN ))
)(
(( segid " " and resid 46 and name HA ))
)
5.000 5.000 0.000 peak 6475 weight 0.10000E+01 volume 0.47700E+00 ppm1 8.482 ppm2 4.864
ASSI (
(( segid " " and resid 47 and name HN ))
)(
(( segid " " and resid 46 and name HB1 ))
)
5.000 5.000 0.000 peak 6480 weight 0.10000E+01 volume 0.38200E+00 ppm1 8.472 ppm2 1.850
ASSI (
(( segid " " and resid 47 and name HN ))
)(
(( segid " " and resid 46 and name HD13))
OR
(( segid " " and resid 46 and name HD12))
OR
(( segid " " and resid 46 and name HD11))
)
6.000 6.000 0.000 peak 6478 weight 0.10000E+01 volume 0.18600E+00 ppm1 8.473 ppm2 -0.009
ASSI (
(( segid " " and resid 47 and name HN ))
)(
(( segid " " and resid 46 and name HD23))
OR
(( segid " " and resid 46 and name HD22))
OR
(( segid " " and resid 46 and name HD21))
)
5.000 5.000 0.000 peak 6477 weight 0.10000E+01 volume 0.30400E+00 ppm1 8.472 ppm2 -0.143
ASSI (
(( segid " " and resid 47 and name HN ))
)(
(( segid " " and resid 47 and name HA ))
)
5.000 5.000 0.000 peak 6483 weight 0.10000E+01 volume 0.39800E+00 ppm1 8.471 ppm2 5.575
ASSI (
(( segid " " and resid 47 and name HN ))
)(
(( segid " " and resid 55 and name HN ))
)
5.000 5.000 0.000 peak 6487 weight 0.10000E+01 volume 0.49900E+00 ppm1 8.470 ppm2 9.608
ASSI (
(( segid " " and resid 48 and name HN ))
)(
(( segid " " and resid 25 and name HB ))
)
5.000 5.000 0.000 peak 6491 weight 0.10000E+01 volume 0.41700E+00 ppm1 8.512 ppm2 3.798
ASSI (
(( segid " " and resid 48 and name HN ))
)(
(( segid " " and resid 27 and name HB ))
)
5.000 5.000 0.000 peak 6492 weight 0.10000E+01 volume 0.12170E+01 ppm1 8.512 ppm2 4.011
ASSI (
(( segid " " and resid 48 and name HN ))
)(
(( segid " " and resid 48 and name HB2 ))
)
3.300 3.300 0.000 peak 6489 weight 0.10000E+01 volume 0.15290E+01 ppm1 8.509 ppm2 1.340
ASSI (
(( segid " " and resid 48 and name HN ))
)(
(( segid " " and resid 49 and name HN ))
)
5.000 5.000 0.000 peak 6497 weight 0.10000E+01 volume 0.33800E+00 ppm1 8.512 ppm2 9.048
ASSI (
(( segid " " and resid 48 and name HN ))
)(
(( segid " " and resid 54 and name HZ3 ))
)
5.000 5.000 0.000 peak 6494 weight 0.10000E+01 volume 0.52700E+00 ppm1 8.510 ppm2 6.699
ASSI (
(( segid " " and resid 49 and name HN ))
)(
(( segid " " and resid 48 and name HB1 ))
)
6.000 6.000 0.000 peak 6500 weight 0.10000E+01 volume 0.18200E+00 ppm1 9.050 ppm2 2.362
ASSI (
(( segid " " and resid 49 and name HN ))
)(
(( segid " " and resid 48 and name HB2 ))
)
6.000 6.000 0.000 peak 6499 weight 0.10000E+01 volume 0.27400E+00 ppm1 9.050 ppm2 1.318
ASSI (
(( segid " " and resid 49 and name HN ))
)(
(( segid " " and resid 50 and name HN ))
)
6.000 6.000 0.000 peak 6511 weight 0.10000E+01 volume 0.25300E+00 ppm1 9.050 ppm2 8.157
ASSI (
(( segid " " and resid 49 and name HN ))
)(
(( segid " " and resid 52 and name HN ))
)
6.000 6.000 0.000 peak 6553 weight 0.10000E+01 volume 0.75000E-01 ppm1 9.047 ppm2 7.916
ASSI (
(( segid " " and resid 49 and name HN ))
)(
(( segid " " and resid 53 and name HN ))
)
5.000 5.000 0.000 peak 6510 weight 0.10000E+01 volume 0.37500E+00 ppm1 9.050 ppm2 7.512
ASSI (
(( segid " " and resid 49 and name HN ))
)(
(( segid " " and resid 55 and name HN ))
)
6.000 6.000 0.000 peak 6513 weight 0.10000E+01 volume 0.27800E+00 ppm1 9.049 ppm2 9.609
ASSI (
(( segid " " and resid 50 and name HN ))
)(
(( segid " " and resid 25 and name HG23))
OR
(( segid " " and resid 25 and name HG22))
OR
(( segid " " and resid 25 and name HG21))
)
5.000 5.000 0.000 peak 5971 weight 0.10000E+01 volume 0.72700E+00 ppm1 8.161 ppm2 1.052
ASSI (
(( segid " " and resid 50 and name HN ))
)(
(( segid " " and resid 49 and name HA ))
)
3.300 3.300 0.000 peak 5977 weight 0.10000E+01 volume 0.16500E+01 ppm1 8.159 ppm2 4.791
ASSI (
(( segid " " and resid 50 and name HN ))
)(
(( segid " " and resid 49 and name HB1 ))
)
3.300 3.300 0.000 peak 5974 weight 0.10000E+01 volume 0.17430E+01 ppm1 8.160 ppm2 3.367
ASSI (
(( segid " " and resid 50 and name HN ))
)(
(( segid " " and resid 50 and name HB1 ))
)
3.300 3.300 0.000 peak 6518 weight 0.10000E+01 volume 0.15980E+01 ppm1 8.160 ppm2 3.922
ASSI (
(( segid " " and resid 50 and name HN ))
)(
(( segid " " and resid 50 and name HB2 ))
)
3.300 3.300 0.000 peak 5976 weight 0.10000E+01 volume 0.16180E+01 ppm1 8.160 ppm2 3.797
ASSI (
(( segid " " and resid 50 and name HN ))
)(
(( segid " " and resid 51 and name HN ))
)
5.000 5.000 0.000 peak 6524 weight 0.10000E+01 volume 0.75100E+00 ppm1 8.161 ppm2 7.634
ASSI (
(( segid " " and resid 51 and name HN ))
)(
(( segid " " and resid 49 and name HB1 ))
)
5.000 5.000 0.000 peak 5979 weight 0.10000E+01 volume 0.55500E+00 ppm1 7.638 ppm2 3.383
ASSI (
(( segid " " and resid 51 and name HN ))
)(
(( segid " " and resid 49 and name HN ))
)
6.000 6.000 0.000 peak 6536 weight 0.10000E+01 volume 0.13000E+00 ppm1 7.636 ppm2 9.046
ASSI (
(( segid " " and resid 51 and name HN ))
)(
(( segid " " and resid 50 and name HB1 ))
)
5.000 5.000 0.000 peak 6533 weight 0.10000E+01 volume 0.49300E+00 ppm1 7.638 ppm2 3.926
ASSI (
(( segid " " and resid 51 and name HN ))
)(
(( segid " " and resid 50 and name HB2 ))
)
5.000 5.000 0.000 peak 6531 weight 0.10000E+01 volume 0.49400E+00 ppm1 7.638 ppm2 3.791
ASSI (
(( segid " " and resid 51 and name HN ))
)(
(( segid " " and resid 51 and name HA ))
)
5.000 5.000 0.000 peak 6534 weight 0.10000E+01 volume 0.93900E+00 ppm1 7.638 ppm2 4.742
ASSI (
(( segid " " and resid 51 and name HN ))
)(
(( segid " " and resid 52 and name HN ))
)
3.300 3.300 0.000 peak 5983 weight 0.10000E+01 volume 0.20300E+01 ppm1 7.637 ppm2 7.916
ASSI (
(( segid " " and resid 52 and name HN ))
)(
(( segid " " and resid 51 and name HB1 ))
)
5.000 5.000 0.000 peak 6543 weight 0.10000E+01 volume 0.30100E+00 ppm1 7.918 ppm2 2.803
ASSI (
(( segid " " and resid 52 and name HN ))
)(
(( segid " " and resid 51 and name HB2 ))
)
5.000 5.000 0.000 peak 5985 weight 0.10000E+01 volume 0.45700E+00 ppm1 7.918 ppm2 2.541
ASSI (
(( segid " " and resid 52 and name HN ))
)(
(( segid " " and resid 52 and name HA2 ))
)
3.300 3.300 0.000 peak 6545 weight 0.10000E+01 volume 0.17270E+01 ppm1 7.918 ppm2 3.418
ASSI (
(( segid " " and resid 52 and name HN ))
)(
(( segid " " and resid 53 and name HB2 ))
)
6.000 6.000 0.000 peak 6539 weight 0.10000E+01 volume 0.20700E+00 ppm1 7.918 ppm2 1.746
ASSI (
(( segid " " and resid 52 and name HN ))
)(
(( segid " " and resid 53 and name HG2 ))
)
5.000 5.000 0.000 peak 6542 weight 0.10000E+01 volume 0.34100E+00 ppm1 7.917 ppm2 2.077
ASSI (
(( segid " " and resid 52 and name HN ))
)(
(( segid " " and resid 53 and name HN ))
)
3.300 3.300 0.000 peak 5988 weight 0.10000E+01 volume 0.24360E+01 ppm1 7.917 ppm2 7.509
ASSI (
(( segid " " and resid 53 and name HN ))
)(
(( segid " " and resid 51 and name HA ))
)
6.000 6.000 0.000 peak 5996 weight 0.10000E+01 volume 0.26100E+00 ppm1 7.509 ppm2 4.746
ASSI (
(( segid " " and resid 53 and name HN ))
)(
(( segid " " and resid 51 and name HB1 ))
)
5.000 5.000 0.000 peak 5991 weight 0.10000E+01 volume 0.35100E+00 ppm1 7.510 ppm2 2.813
ASSI (
(( segid " " and resid 53 and name HN ))
)(
(( segid " " and resid 51 and name HB2 ))
)
5.000 5.000 0.000 peak 5990 weight 0.10000E+01 volume 0.35700E+00 ppm1 7.510 ppm2 2.543
ASSI (
(( segid " " and resid 53 and name HN ))
)(
(( segid " " and resid 53 and name HA ))
)
5.000 5.000 0.000 peak 6564 weight 0.10000E+01 volume 0.80900E+00 ppm1 7.509 ppm2 4.500
ASSI (
(( segid " " and resid 53 and name HN ))
)(
(( segid " " and resid 53 and name HG1 ))
)
5.000 5.000 0.000 peak 6562 weight 0.10000E+01 volume 0.87300E+00 ppm1 7.510 ppm2 2.160
ASSI (
(( segid " " and resid 53 and name HN ))
)(
(( segid " " and resid 54 and name HN ))
)
5.000 5.000 0.000 peak 6567 weight 0.10000E+01 volume 0.30500E+00 ppm1 7.509 ppm2 8.383
ASSI (
(( segid " " and resid 54 and name HN ))
)(
(( segid " " and resid 53 and name HB1 ))
)
2.700 2.700 0.000 peak 6570 weight 0.10000E+01 volume 0.44770E+01 ppm1 8.391 ppm2 1.902
ASSI (
(( segid " " and resid 54 and name HN ))
)(
(( segid " " and resid 53 and name HB2 ))
)
5.000 5.000 0.000 peak 6569 weight 0.10000E+01 volume 0.11360E+01 ppm1 8.390 ppm2 1.750
ASSI (
(( segid " " and resid 54 and name HN ))
)(
(( segid " " and resid 54 and name HB1 ))
)
3.300 3.300 0.000 peak 6573 weight 0.10000E+01 volume 0.18170E+01 ppm1 8.389 ppm2 3.072
ASSI (
(( segid " " and resid 54 and name HE1 ))
)(
(( segid " " and resid 54 and name HZ2 ))
)
5.000 5.000 0.000 peak 6673 weight 0.10000E+01 volume 0.68600E+00 ppm1 10.001 ppm2 6.939
ASSI (
(( segid " " and resid 55 and name HN ))
)(
(( segid " " and resid 54 and name HB2 ))
)
5.000 5.000 0.000 peak 6003 weight 0.10000E+01 volume 0.53300E+00 ppm1 9.613 ppm2 2.890
ASSI (
(( segid " " and resid 55 and name HN ))
)(
(( segid " " and resid 54 and name HN ))
)
5.000 5.000 0.000 peak 6582 weight 0.10000E+01 volume 0.57900E+00 ppm1 9.614 ppm2 8.391
ASSI (
(( segid " " and resid 55 and name HN ))
)(
(( segid " " and resid 55 and name HA ))
)
5.000 5.000 0.000 peak 6593 weight 0.10000E+01 volume 0.51300E+00 ppm1 9.613 ppm2 4.445
ASSI (
(( segid " " and resid 55 and name HN ))
)(
(( segid " " and resid 56 and name HN ))
)
6.000 6.000 0.000 peak 6597 weight 0.10000E+01 volume 0.18100E+00 ppm1 9.614 ppm2 7.800
ASSI (
(( segid " " and resid 56 and name HN ))
)(
(( segid " " and resid 55 and name HA ))
)
2.700 2.700 0.000 peak 6011 weight 0.10000E+01 volume 0.35660E+01 ppm1 7.804 ppm2 4.441
ASSI (
(( segid " " and resid 57 and name HN ))
)(
(( segid " " and resid 56 and name HB1 ))
)
5.000 5.000 0.000 peak 6016 weight 0.10000E+01 volume 0.78000E+00 ppm1 8.539 ppm2 3.629
ASSI (
(( segid " " and resid 57 and name HN ))
)(
(( segid " " and resid 56 and name HD2 ))
OR
(( segid " " and resid 56 and name HD1 ))
)
5.000 5.000 0.000 peak 6018 weight 0.10000E+01 volume 0.62700E+00 ppm1 8.537 ppm2 6.813
ASSI (
(( segid " " and resid 58 and name HN ))
)(
(( segid " " and resid 58 and name HA ))
)
5.000 5.000 0.000 peak 6613 weight 0.10000E+01 volume 0.55600E+00 ppm1 8.267 ppm2 3.570
ASSI (
(( segid " " and resid 58 and name HN ))
)(
(( segid " " and resid 58 and name HB ))
)
3.300 3.300 0.000 peak 6615 weight 0.10000E+01 volume 0.22840E+01 ppm1 8.267 ppm2 3.853
ASSI (
(( segid " " and resid 60 and name HN ))
)(
(( segid " " and resid 60 and name HA ))
)
6.000 6.000 0.000 peak 6621 weight 0.10000E+01 volume 0.27000E+00 ppm1 6.534 ppm2 5.545
ASSI (
(( segid " " and resid 60 and name HN ))
)(
(( segid " " and resid 60 and name HB2 ))
OR
(( segid " " and resid 60 and name HB1 ))
)
5.000 5.000 0.000 peak 6026 weight 0.10000E+01 volume 0.49300E+00 ppm1 6.533 ppm2 2.980
ASSI (
(( segid " " and resid 63 and name HN ))
)(
(( segid " " and resid 38 and name HG13))
OR
(( segid " " and resid 38 and name HG12))
OR
(( segid " " and resid 38 and name HG11))
)
5.000 5.000 0.000 peak 6622 weight 0.10000E+01 volume 0.30100E+00 ppm1 7.814 ppm2 0.510
ASSI (
(( segid " " and resid 63 and name HN ))
)(
(( segid " " and resid 62 and name HB1 ))
)
5.000 5.000 0.000 peak 6034 weight 0.10000E+01 volume 0.55100E+00 ppm1 7.815 ppm2 2.755
ASSI (
(( segid " " and resid 63 and name HN ))
)(
(( segid " " and resid 62 and name HB2 ))
)
5.000 5.000 0.000 peak 6035 weight 0.10000E+01 volume 0.43400E+00 ppm1 7.814 ppm2 2.535
ASSI (
(( segid " " and resid 63 and name HN ))
)(
(( segid " " and resid 62 and name HD2 ))
OR
(( segid " " and resid 62 and name HD1 ))
)
5.000 5.000 0.000 peak 6628 weight 0.10000E+01 volume 0.39700E+00 ppm1 7.815 ppm2 6.555
ASSI (
(( segid " " and resid 63 and name HN ))
)(
(( segid " " and resid 62 and name HE2 ))
OR
(( segid " " and resid 62 and name HE1 ))
)
5.000 5.000 0.000 peak 6630 weight 0.10000E+01 volume 0.42700E+00 ppm1 7.817 ppm2 6.693
ASSI (
(( segid " " and resid 63 and name HN ))
)(
(( segid " " and resid 63 and name HA ))
)
5.000 5.000 0.000 peak 6030 weight 0.10000E+01 volume 0.63500E+00 ppm1 7.816 ppm2 4.156
ASSI (
(( segid " " and resid 63 and name HN ))
)(
(( segid " " and resid 63 and name HB1 ))
)
5.000 5.000 0.000 peak 6036 weight 0.10000E+01 volume 0.50700E+00 ppm1 7.814 ppm2 1.418
ASSI (
(( segid " " and resid 63 and name HN ))
)(
(( segid " " and resid 63 and name HG2 ))
)
5.000 5.000 0.000 peak 6039 weight 0.10000E+01 volume 0.49400E+00 ppm1 7.813 ppm2 1.013
ASSI (
(( segid " " and resid 64 and name HN ))
)(
(( segid " " and resid 64 and name HA ))
)
5.000 5.000 0.000 peak 6040 weight 0.10000E+01 volume 0.38900E+00 ppm1 7.728 ppm2 4.510
ASSI (
(( segid " " and resid 64 and name HN ))
)(
(( segid " " and resid 64 and name HB2 ))
)
3.300 3.300 0.000 peak 6043 weight 0.10000E+01 volume 0.16850E+01 ppm1 7.729 ppm2 1.403
ASSI (
(( segid " " and resid 64 and name HN ))
)(
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)
5.000 5.000 0.000 peak 6632 weight 0.10000E+01 volume 0.52100E+00 ppm1 7.731 ppm2 0.504
ASSI (
(( segid " " and resid 64 and name HN ))
)(
(( segid " " and resid 113 and name HG23))
OR
(( segid " " and resid 113 and name HG22))
OR
(( segid " " and resid 113 and name HG21))
)
5.000 5.000 0.000 peak 6046 weight 0.10000E+01 volume 0.42900E+00 ppm1 7.731 ppm2 0.417
ASSI (
(( segid " " and resid 65 and name HN ))
)(
(( segid " " and resid 65 and name HB1 ))
)
3.300 3.300 0.000 peak 6638 weight 0.10000E+01 volume 0.16240E+01 ppm1 8.546 ppm2 2.376
ASSI (
(( segid " " and resid 65 and name HN ))
)(
(( segid " " and resid 115 and name HE1 ))
)
6.000 6.000 0.000 peak 6714 weight 0.10000E+01 volume 0.18200E+00 ppm1 8.545 ppm2 10.495
ASSI (
(( segid " " and resid 66 and name HN ))
)(
(( segid " " and resid 65 and name HB2 ))
)
3.300 3.300 0.000 peak 6650 weight 0.10000E+01 volume 0.15030E+01 ppm1 8.351 ppm2 2.309
ASSI (
(( segid " " and resid 66 and name HN ))
)(
(( segid " " and resid 67 and name HN ))
)
5.000 5.000 0.000 peak 6654 weight 0.10000E+01 volume 0.33400E+00 ppm1 8.350 ppm2 8.922
ASSI (
(( segid " " and resid 66 and name HN ))
)(
(( segid " " and resid 115 and name HE1 ))
)
5.000 5.000 0.000 peak 6656 weight 0.10000E+01 volume 0.39000E+00 ppm1 8.352 ppm2 10.495
ASSI (
(( segid " " and resid 66 and name HE ))
)(
(( segid " " and resid 66 and name HB2 ))
)
5.000 5.000 0.000 peak 8587 weight 0.10000E+01 volume 0.48200E+00 ppm1 7.174 ppm2 1.739
ASSI (
(( segid " " and resid 66 and name HE ))
)(
(( segid " " and resid 66 and name HD2 ))
OR
(( segid " " and resid 66 and name HD1 ))
)
5.000 5.000 0.000 peak 8196 weight 0.10000E+01 volume 0.52600E+00 ppm1 7.172 ppm2 3.231
ASSI (
(( segid " " and resid 67 and name HN ))
)(
(( segid " " and resid 67 and name HB1 ))
)
3.300 3.300 0.000 peak 6054 weight 0.10000E+01 volume 0.22930E+01 ppm1 8.936 ppm2 3.115
ASSI (
(( segid " " and resid 67 and name HN ))
)(
(( segid " " and resid 67 and name HB2 ))
)
3.300 3.300 0.000 peak 6053 weight 0.10000E+01 volume 0.27390E+01 ppm1 8.935 ppm2 2.988
ASSI (
(( segid " " and resid 67 and name HN ))
)(
(( segid " " and resid 68 and name HD2 ))
)
6.000 6.000 0.000 peak 6057 weight 0.10000E+01 volume 0.20500E+00 ppm1 8.936 ppm2 2.455
ASSI (
(( segid " " and resid 67 and name HN ))
)(
(( segid " " and resid 82 and name HD13))
OR
(( segid " " and resid 82 and name HD12))
OR
(( segid " " and resid 82 and name HD11))
)
5.000 5.000 0.000 peak 6047 weight 0.10000E+01 volume 0.59400E+00 ppm1 8.936 ppm2 0.958
ASSI (
(( segid " " and resid 69 and name HN ))
)(
(( segid " " and resid 67 and name HB2 ))
)
6.000 6.000 0.000 peak 6735 weight 0.10000E+01 volume 0.23600E+00 ppm1 9.616 ppm2 2.971
ASSI (
(( segid " " and resid 69 and name HN ))
)(
(( segid " " and resid 68 and name HB1 ))
)
5.000 5.000 0.000 peak 6064 weight 0.10000E+01 volume 0.42800E+00 ppm1 9.614 ppm2 1.670
ASSI (
(( segid " " and resid 69 and name HN ))
)(
(( segid " " and resid 68 and name HB2 ))
)
6.000 6.000 0.000 peak 6739 weight 0.10000E+01 volume 0.28600E+00 ppm1 9.617 ppm2 1.319
ASSI (
(( segid " " and resid 69 and name HN ))
)(
(( segid " " and resid 68 and name HD2 ))
)
5.000 5.000 0.000 peak 6063 weight 0.10000E+01 volume 0.34600E+00 ppm1 9.615 ppm2 2.448
ASSI (
(( segid " " and resid 69 and name HN ))
)(
(( segid " " and resid 68 and name HG1 ))
)
5.000 5.000 0.000 peak 6065 weight 0.10000E+01 volume 0.49300E+00 ppm1 9.614 ppm2 1.494
ASSI (
(( segid " " and resid 69 and name HN ))
)(
(( segid " " and resid 68 and name HG2 ))
)
5.000 5.000 0.000 peak 6066 weight 0.10000E+01 volume 0.36400E+00 ppm1 9.613 ppm2 1.008
ASSI (
(( segid " " and resid 69 and name HN ))
)(
(( segid " " and resid 69 and name HA1 ))
)
3.300 3.300 0.000 peak 6059 weight 0.10000E+01 volume 0.23620E+01 ppm1 9.616 ppm2 4.263
ASSI (
(( segid " " and resid 69 and name HN ))
)(
(( segid " " and resid 69 and name HA2 ))
)
3.300 3.300 0.000 peak 6061 weight 0.10000E+01 volume 0.16810E+01 ppm1 9.616 ppm2 3.735
ASSI (
(( segid " " and resid 69 and name HN ))
)(
(( segid " " and resid 70 and name HN ))
)
5.000 5.000 0.000 peak 6058 weight 0.10000E+01 volume 0.82100E+00 ppm1 9.616 ppm2 7.761
ASSI (
(( segid " " and resid 70 and name HN ))
)(
(( segid " " and resid 69 and name HA2 ))
)
2.700 2.700 0.000 peak 6072 weight 0.10000E+01 volume 0.30440E+01 ppm1 7.732 ppm2 3.732
ASSI (
(( segid " " and resid 70 and name HN ))
)(
(( segid " " and resid 70 and name HB2 ))
OR
(( segid " " and resid 70 and name HB1 ))
)
2.700 2.700 0.000 peak 6074 weight 0.10000E+01 volume 0.34900E+01 ppm1 7.731 ppm2 1.779
ASSI (
(( segid " " and resid 70 and name HN ))
)(
(( segid " " and resid 70 and name HG2 ))
)
5.000 5.000 0.000 peak 6076 weight 0.10000E+01 volume 0.52800E+00 ppm1 7.731 ppm2 2.041
ASSI (
(( segid " " and resid 70 and name HN ))
)(
(( segid " " and resid 71 and name HN ))
)
5.000 5.000 0.000 peak 6069 weight 0.10000E+01 volume 0.32300E+00 ppm1 7.728 ppm2 8.288
ASSI (
(( segid " " and resid 70 and name HN ))
)(
(( segid " " and resid 119 and name HD13))
OR
(( segid " " and resid 119 and name HD12))
OR
(( segid " " and resid 119 and name HD11))
)
5.000 5.000 0.000 peak 6077 weight 0.10000E+01 volume 0.31900E+00 ppm1 7.730 ppm2 0.555
ASSI (
(( segid " " and resid 70 and name HN ))
)(
(( segid " " and resid 119 and name HD23))
OR
(( segid " " and resid 119 and name HD22))
OR
(( segid " " and resid 119 and name HD21))
)
5.000 5.000 0.000 peak 6742 weight 0.10000E+01 volume 0.36200E+00 ppm1 7.729 ppm2 0.459
ASSI (
(( segid " " and resid 71 and name HN ))
)(
(( segid " " and resid 70 and name HB2 ))
OR
(( segid " " and resid 70 and name HB1 ))
)
5.000 5.000 0.000 peak 6084 weight 0.10000E+01 volume 0.13850E+01 ppm1 8.286 ppm2 1.790
ASSI (
(( segid " " and resid 71 and name HN ))
)(
(( segid " " and resid 71 and name HA ))
)
3.300 3.300 0.000 peak 6087 weight 0.10000E+01 volume 0.16510E+01 ppm1 8.287 ppm2 4.300
ASSI (
(( segid " " and resid 71 and name HN ))
)(
(( segid " " and resid 71 and name HB1 ))
)
3.300 3.300 0.000 peak 6082 weight 0.10000E+01 volume 0.17670E+01 ppm1 8.286 ppm2 1.528
ASSI (
(( segid " " and resid 72 and name HN ))
)(
(( segid " " and resid 71 and name HB2 ))
)
5.000 5.000 0.000 peak 6090 weight 0.10000E+01 volume 0.40300E+00 ppm1 8.515 ppm2 0.744
ASSI (
(( segid " " and resid 72 and name HN ))
)(
(( segid " " and resid 71 and name HG ))
)
5.000 5.000 0.000 peak 6091 weight 0.10000E+01 volume 0.34100E+00 ppm1 8.514 ppm2 1.000
ASSI (
(( segid " " and resid 72 and name HN ))
)(
(( segid " " and resid 73 and name HN ))
)
5.000 5.000 0.000 peak 6749 weight 0.10000E+01 volume 0.33200E+00 ppm1 8.513 ppm2 8.858
ASSI (
(( segid " " and resid 73 and name HD21))
)(
(( segid " " and resid 73 and name HA ))
)
5.000 5.000 0.000 peak 8745 weight 0.10000E+01 volume 0.40400E+00 ppm1 7.310 ppm2 3.783
ASSI (
(( segid " " and resid 73 and name HD22))
)(
(( segid " " and resid 73 and name HD21))
)
2.700 2.700 0.000 peak 8762 weight 0.10000E+01 volume 0.53270E+01 ppm1 6.749 ppm2 7.307
ASSI (
(( segid " " and resid 74 and name HN ))
)(
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)
5.000 5.000 0.000 peak 6105 weight 0.10000E+01 volume 0.54200E+00 ppm1 7.631 ppm2 0.591
ASSI (
(( segid " " and resid 74 and name HN ))
)(
(( segid " " and resid 71 and name HD23))
OR
(( segid " " and resid 71 and name HD22))
OR
(( segid " " and resid 71 and name HD21))
)
5.000 5.000 0.000 peak 6762 weight 0.10000E+01 volume 0.38900E+00 ppm1 7.632 ppm2 0.475
ASSI (
(( segid " " and resid 74 and name HN ))
)(
(( segid " " and resid 73 and name HA ))
)
3.300 3.300 0.000 peak 6109 weight 0.10000E+01 volume 0.21530E+01 ppm1 7.631 ppm2 3.792
ASSI (
(( segid " " and resid 74 and name HN ))
)(
(( segid " " and resid 73 and name HN ))
)
3.300 3.300 0.000 peak 6116 weight 0.10000E+01 volume 0.19220E+01 ppm1 7.630 ppm2 8.863
ASSI (
(( segid " " and resid 75 and name HN ))
)(
(( segid " " and resid 71 and name HD13))
OR
(( segid " " and resid 71 and name HD12))
OR
(( segid " " and resid 71 and name HD11))
)
3.300 3.300 0.000 peak 6117 weight 0.10000E+01 volume 0.17380E+01 ppm1 8.798 ppm2 0.590
ASSI (
(( segid " " and resid 75 and name HN ))
)(
(( segid " " and resid 74 and name HA1 ))
)
3.300 3.300 0.000 peak 6120 weight 0.10000E+01 volume 0.19380E+01 ppm1 8.798 ppm2 4.320
ASSI (
(( segid " " and resid 75 and name HN ))
)(
(( segid " " and resid 74 and name HA2 ))
)
3.300 3.300 0.000 peak 6119 weight 0.10000E+01 volume 0.18930E+01 ppm1 8.798 ppm2 4.102
ASSI (
(( segid " " and resid 75 and name HN ))
)(
(( segid " " and resid 74 and name HN ))
)
5.000 5.000 0.000 peak 6770 weight 0.10000E+01 volume 0.41600E+00 ppm1 8.799 ppm2 7.630
ASSI (
(( segid " " and resid 75 and name HN ))
)(
(( segid " " and resid 91 and name HN ))
)
5.000 5.000 0.000 peak 6122 weight 0.10000E+01 volume 0.10520E+01 ppm1 8.797 ppm2 8.251
ASSI (
(( segid " " and resid 75 and name HN ))
)(
(( segid " " and resid 92 and name HA ))
)
5.000 5.000 0.000 peak 6121 weight 0.10000E+01 volume 0.86600E+00 ppm1 8.798 ppm2 5.246
ASSI (
(( segid " " and resid 76 and name HN ))
)(
(( segid " " and resid 75 and name HA ))
)
2.700 2.700 0.000 peak 6134 weight 0.10000E+01 volume 0.31850E+01 ppm1 8.340 ppm2 4.722
ASSI (
(( segid " " and resid 76 and name HN ))
)(
(( segid " " and resid 76 and name HA ))
)
5.000 5.000 0.000 peak 6133 weight 0.10000E+01 volume 0.94800E+00 ppm1 8.340 ppm2 4.303
ASSI (
(( segid " " and resid 77 and name HN ))
)(
(( segid " " and resid 76 and name HN ))
)
5.000 5.000 0.000 peak 6776 weight 0.10000E+01 volume 0.55400E+00 ppm1 9.247 ppm2 8.341
ASSI (
(( segid " " and resid 77 and name HN ))
)(
(( segid " " and resid 88 and name HA ))
)
5.000 5.000 0.000 peak 6784 weight 0.10000E+01 volume 0.32200E+00 ppm1 9.247 ppm2 4.710
ASSI (
(( segid " " and resid 77 and name HN ))
)(
(( segid " " and resid 89 and name HN ))
)
5.000 5.000 0.000 peak 6788 weight 0.10000E+01 volume 0.61600E+00 ppm1 9.247 ppm2 7.816
ASSI (
(( segid " " and resid 77 and name HN ))
)(
(( segid " " and resid 90 and name HA ))
)
5.000 5.000 0.000 peak 6785 weight 0.10000E+01 volume 0.44800E+00 ppm1 9.248 ppm2 5.400
ASSI (
(( segid " " and resid 77 and name HN ))
)(
(( segid " " and resid 91 and name HN ))
)
6.000 6.000 0.000 peak 6966 weight 0.10000E+01 volume 0.27600E+00 ppm1 9.245 ppm2 8.236
ASSI (
(( segid " " and resid 78 and name HN ))
)(
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)
5.000 5.000 0.000 peak 6793 weight 0.10000E+01 volume 0.48300E+00 ppm1 8.513 ppm2 0.495
ASSI (
(( segid " " and resid 79 and name HN ))
)(
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)
5.000 5.000 0.000 peak 6801 weight 0.10000E+01 volume 0.12230E+01 ppm1 7.860 ppm2 0.680
ASSI (
(( segid " " and resid 79 and name HN ))
)(
(( segid " " and resid 80 and name HN ))
)
5.000 5.000 0.000 peak 6815 weight 0.10000E+01 volume 0.14610E+01 ppm1 7.858 ppm2 8.958
ASSI (
(( segid " " and resid 79 and name HN ))
)(
(( segid " " and resid 81 and name HN ))
)
5.000 5.000 0.000 peak 6814 weight 0.10000E+01 volume 0.30200E+00 ppm1 7.858 ppm2 8.734
ASSI (
(( segid " " and resid 80 and name HN ))
)(
(( segid " " and resid 78 and name HA ))
)
5.000 5.000 0.000 peak 6824 weight 0.10000E+01 volume 0.37400E+00 ppm1 8.964 ppm2 4.039
ASSI (
(( segid " " and resid 80 and name HN ))
)(
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
6.000 6.000 0.000 peak 6821 weight 0.10000E+01 volume 0.21500E+00 ppm1 8.965 ppm2 1.364
ASSI (
(( segid " " and resid 80 and name HN ))
)(
(( segid " " and resid 81 and name HN ))
)
5.000 5.000 0.000 peak 6829 weight 0.10000E+01 volume 0.81100E+00 ppm1 8.964 ppm2 8.731
ASSI (
(( segid " " and resid 81 and name HN ))
)(
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
)
5.000 5.000 0.000 peak 6831 weight 0.10000E+01 volume 0.61500E+00 ppm1 8.731 ppm2 0.678
ASSI (
(( segid " " and resid 81 and name HN ))
)(
(( segid " " and resid 82 and name HN ))
)
5.000 5.000 0.000 peak 6865 weight 0.10000E+01 volume 0.63300E+00 ppm1 8.733 ppm2 7.929
ASSI (
(( segid " " and resid 82 and name HN ))
)(
(( segid " " and resid 81 and name HB1 ))
)
3.300 3.300 0.000 peak 6855 weight 0.10000E+01 volume 0.16490E+01 ppm1 7.930 ppm2 3.004
ASSI (
(( segid " " and resid 82 and name HN ))
)(
(( segid " " and resid 82 and name HA ))
)
5.000 5.000 0.000 peak 6863 weight 0.10000E+01 volume 0.72000E+00 ppm1 7.931 ppm2 4.651
ASSI (
(( segid " " and resid 82 and name HN ))
)(
(( segid " " and resid 82 and name HB2 ))
)
3.300 3.300 0.000 peak 6851 weight 0.10000E+01 volume 0.20690E+01 ppm1 7.930 ppm2 1.656
ASSI (
(( segid " " and resid 83 and name HN ))
)(
(( segid " " and resid 81 and name HN ))
)
6.000 6.000 0.000 peak 6843 weight 0.10000E+01 volume 0.29800E+00 ppm1 7.910 ppm2 8.732
ASSI (
(( segid " " and resid 83 and name HN ))
)(
(( segid " " and resid 83 and name HB2 ))
OR
(( segid " " and resid 83 and name HB1 ))
)
3.300 3.300 0.000 peak 6876 weight 0.10000E+01 volume 0.22040E+01 ppm1 7.911 ppm2 3.735
ASSI (
(( segid " " and resid 84 and name HN ))
)(
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)
5.000 5.000 0.000 peak 4861 weight 0.10000E+01 volume 0.50700E+00 ppm1 8.157 ppm2 6.698
ASSI (
(( segid " " and resid 84 and name HN ))
)(
(( segid " " and resid 113 and name HG13))
OR
(( segid " " and resid 113 and name HG12))
OR
(( segid " " and resid 113 and name HG11))
)
5.000 5.000 0.000 peak 6884 weight 0.10000E+01 volume 0.30500E+00 ppm1 8.156 ppm2 0.501
ASSI (
(( segid " " and resid 85 and name HN ))
)(
(( segid " " and resid 84 and name HA ))
)
3.300 3.300 0.000 peak 6906 weight 0.10000E+01 volume 0.19440E+01 ppm1 8.543 ppm2 3.597
ASSI (
(( segid " " and resid 85 and name HN ))
)(
(( segid " " and resid 84 and name HB1 ))
)
5.000 5.000 0.000 peak 6902 weight 0.10000E+01 volume 0.76800E+00 ppm1 8.541 ppm2 2.748
ASSI (
(( segid " " and resid 85 and name HN ))
)(
(( segid " " and resid 84 and name HB2 ))
)
5.000 5.000 0.000 peak 6904 weight 0.10000E+01 volume 0.53500E+00 ppm1 8.541 ppm2 2.486
ASSI (
(( segid " " and resid 85 and name HN ))
)(
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)
5.000 5.000 0.000 peak 6909 weight 0.10000E+01 volume 0.62300E+00 ppm1 8.541 ppm2 6.713
ASSI (
(( segid " " and resid 85 and name HN ))
)(
(( segid " " and resid 84 and name HN ))
)
5.000 5.000 0.000 peak 6910 weight 0.10000E+01 volume 0.41600E+00 ppm1 8.542 ppm2 8.154
ASSI (
(( segid " " and resid 85 and name HN ))
)(
(( segid " " and resid 85 and name HA1 ))
)
3.300 3.300 0.000 peak 6907 weight 0.10000E+01 volume 0.15670E+01 ppm1 8.541 ppm2 3.877
ASSI (
(( segid " " and resid 85 and name HN ))
)(
(( segid " " and resid 86 and name HN ))
)
5.000 5.000 0.000 peak 6911 weight 0.10000E+01 volume 0.13700E+01 ppm1 8.544 ppm2 8.334
ASSI (
(( segid " " and resid 86 and name HN ))
)(
(( segid " " and resid 84 and name HA ))
)
5.000 5.000 0.000 peak 8978 weight 0.10000E+01 volume 0.65200E+00 ppm1 8.330 ppm2 3.603
ASSI (
(( segid " " and resid 87 and name HN ))
)(
(( segid " " and resid 86 and name HN ))
)
5.000 5.000 0.000 peak 6919 weight 0.10000E+01 volume 0.55400E+00 ppm1 8.713 ppm2 8.324
ASSI (
(( segid " " and resid 87 and name HE21))
)(
(( segid " " and resid 86 and name HB2 ))
OR
(( segid " " and resid 86 and name HB1 ))
)
6.000 6.000 0.000 peak 9032 weight 0.10000E+01 volume 0.16600E+00 ppm1 7.539 ppm2 3.986
ASSI (
(( segid " " and resid 87 and name HE22))
)(
(( segid " " and resid 86 and name HB2 ))
OR
(( segid " " and resid 86 and name HB1 ))
)
6.000 6.000 0.000 peak 9033 weight 0.10000E+01 volume 0.15400E+00 ppm1 6.799 ppm2 3.984
ASSI (
(( segid " " and resid 87 and name HE22))
)(
(( segid " " and resid 87 and name HE21))
)
2.700 2.700 0.000 peak 9031 weight 0.10000E+01 volume 0.11636E+02 ppm1 6.801 ppm2 7.544
ASSI (
(( segid " " and resid 87 and name HE21))
)(
(( segid " " and resid 87 and name HG2 ))
)
3.300 3.300 0.000 peak 9034 weight 0.10000E+01 volume 0.15050E+01 ppm1 7.538 ppm2 2.155
ASSI (
(( segid " " and resid 88 and name HN ))
)(
(( segid " " and resid 88 and name HB ))
)
5.000 5.000 0.000 peak 6928 weight 0.10000E+01 volume 0.41000E+00 ppm1 8.806 ppm2 1.146
ASSI (
(( segid " " and resid 88 and name HN ))
)(
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
)
5.000 5.000 0.000 peak 6920 weight 0.10000E+01 volume 0.37600E+00 ppm1 8.806 ppm2 -0.618
ASSI (
(( segid " " and resid 88 and name HN ))
)(
(( segid " " and resid 88 and name HG12))
)
5.000 5.000 0.000 peak 6922 weight 0.10000E+01 volume 0.60200E+00 ppm1 8.806 ppm2 0.238
ASSI (
(( segid " " and resid 88 and name HN ))
)(
(( segid " " and resid 103 and name HA ))
)
5.000 5.000 0.000 peak 6930 weight 0.10000E+01 volume 0.32500E+00 ppm1 8.808 ppm2 5.046
ASSI (
(( segid " " and resid 88 and name HN ))
)(
(( segid " " and resid 104 and name HN ))
)
5.000 5.000 0.000 peak 6935 weight 0.10000E+01 volume 0.76800E+00 ppm1 8.806 ppm2 8.034
ASSI (
(( segid " " and resid 90 and name HN ))
)(
(( segid " " and resid 89 and name HN ))
)
5.000 5.000 0.000 peak 6944 weight 0.10000E+01 volume 0.34500E+00 ppm1 8.379 ppm2 7.803
ASSI (
(( segid " " and resid 90 and name HN ))
)(
(( segid " " and resid 102 and name HG23))
OR
(( segid " " and resid 102 and name HG22))
OR
(( segid " " and resid 102 and name HG21))
)
5.000 5.000 0.000 peak 9304 weight 0.10000E+01 volume 0.32500E+00 ppm1 8.374 ppm2 1.337
ASSI (
(( segid " " and resid 91 and name HN ))
)(
(( segid " " and resid 71 and name HG ))
)
5.000 5.000 0.000 peak 6949 weight 0.10000E+01 volume 0.34300E+00 ppm1 8.245 ppm2 1.002
ASSI (
(( segid " " and resid 91 and name HN ))
)(
(( segid " " and resid 90 and name HA ))
)
2.700 2.700 0.000 peak 6961 weight 0.10000E+01 volume 0.33850E+01 ppm1 8.247 ppm2 5.402
ASSI (
(( segid " " and resid 91 and name HN ))
)(
(( segid " " and resid 90 and name HB1 ))
)
5.000 5.000 0.000 peak 6955 weight 0.10000E+01 volume 0.81300E+00 ppm1 8.244 ppm2 2.766
ASSI (
(( segid " " and resid 91 and name HN ))
)(
(( segid " " and resid 90 and name HB2 ))
)
5.000 5.000 0.000 peak 6953 weight 0.10000E+01 volume 0.40900E+00 ppm1 8.244 ppm2 2.532
ASSI (
(( segid " " and resid 91 and name HN ))
)(
(( segid " " and resid 91 and name HA ))
)
5.000 5.000 0.000 peak 6960 weight 0.10000E+01 volume 0.76500E+00 ppm1 8.246 ppm2 4.507
ASSI (
(( segid " " and resid 91 and name HN ))
)(
(( segid " " and resid 92 and name HN ))
)
5.000 5.000 0.000 peak 6984 weight 0.10000E+01 volume 0.76800E+00 ppm1 8.245 ppm2 8.717
ASSI (
(( segid " " and resid 92 and name HN ))
)(
(( segid " " and resid 91 and name HA ))
)
3.300 3.300 0.000 peak 6979 weight 0.10000E+01 volume 0.28090E+01 ppm1 8.714 ppm2 4.508
ASSI (
(( segid " " and resid 92 and name HN ))
)(
(( segid " " and resid 91 and name HB2 ))
OR
(( segid " " and resid 91 and name HB1 ))
)
3.300 3.300 0.000 peak 6976 weight 0.10000E+01 volume 0.24880E+01 ppm1 8.714 ppm2 3.777
ASSI (
(( segid " " and resid 92 and name HN ))
)(
(( segid " " and resid 98 and name HB1 ))
)
5.000 5.000 0.000 peak 6970 weight 0.10000E+01 volume 0.30200E+00 ppm1 8.715 ppm2 1.511
ASSI (
(( segid " " and resid 92 and name HN ))
)(
(( segid " " and resid 98 and name HB2 ))
)
5.000 5.000 0.000 peak 6969 weight 0.10000E+01 volume 0.33100E+00 ppm1 8.714 ppm2 1.390
ASSI (
(( segid " " and resid 93 and name HN ))
)(
(( segid " " and resid 74 and name HN ))
)
6.000 6.000 0.000 peak 7006 weight 0.10000E+01 volume 0.25100E+00 ppm1 8.885 ppm2 7.629
ASSI (
(( segid " " and resid 93 and name HN ))
)(
(( segid " " and resid 91 and name HB2 ))
OR
(( segid " " and resid 91 and name HB1 ))
)
5.000 5.000 0.000 peak 6996 weight 0.10000E+01 volume 0.39400E+00 ppm1 8.886 ppm2 3.783
ASSI (
(( segid " " and resid 93 and name HN ))
)(
(( segid " " and resid 94 and name HN ))
)
5.000 5.000 0.000 peak 7007 weight 0.10000E+01 volume 0.30200E+00 ppm1 8.887 ppm2 8.427
ASSI (
(( segid " " and resid 95 and name HN ))
)(
(( segid " " and resid 94 and name HN ))
)
5.000 5.000 0.000 peak 7029 weight 0.10000E+01 volume 0.39500E+00 ppm1 8.876 ppm2 8.429
ASSI (
(( segid " " and resid 96 and name HN ))
)(
(( segid " " and resid 95 and name HA1 ))
)
3.300 3.300 0.000 peak 7038 weight 0.10000E+01 volume 0.19710E+01 ppm1 8.166 ppm2 4.152
ASSI (
(( segid " " and resid 96 and name HN ))
)(
(( segid " " and resid 95 and name HN ))
)
3.300 3.300 0.000 peak 7028 weight 0.10000E+01 volume 0.17880E+01 ppm1 8.165 ppm2 8.876
ASSI (
(( segid " " and resid 96 and name HN ))
)(
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
)
6.000 6.000 0.000 peak 7043 weight 0.10000E+01 volume 0.26000E+00 ppm1 8.166 ppm2 7.128
ASSI (
(( segid " " and resid 96 and name HN ))
)(
(( segid " " and resid 125 and name HN ))
)
5.000 5.000 0.000 peak 7044 weight 0.10000E+01 volume 0.67200E+00 ppm1 8.166 ppm2 7.821
ASSI (
(( segid " " and resid 97 and name HN ))
)(
(( segid " " and resid 96 and name HA ))
)
3.300 3.300 0.000 peak 7061 weight 0.10000E+01 volume 0.19890E+01 ppm1 9.710 ppm2 5.071
ASSI (
(( segid " " and resid 97 and name HN ))
)(
(( segid " " and resid 96 and name HB1 ))
)
5.000 5.000 0.000 peak 7057 weight 0.10000E+01 volume 0.64500E+00 ppm1 9.708 ppm2 3.216
ASSI (
(( segid " " and resid 97 and name HN ))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)
5.000 5.000 0.000 peak 7065 weight 0.10000E+01 volume 0.44100E+00 ppm1 9.708 ppm2 6.714
ASSI (
(( segid " " and resid 97 and name HN ))
)(
(( segid " " and resid 96 and name HN ))
)
5.000 5.000 0.000 peak 7047 weight 0.10000E+01 volume 0.38800E+00 ppm1 9.710 ppm2 8.168
ASSI (
(( segid " " and resid 97 and name HN ))
)(
(( segid " " and resid 98 and name HN ))
)
5.000 5.000 0.000 peak 7067 weight 0.10000E+01 volume 0.91900E+00 ppm1 9.716 ppm2 7.998
ASSI (
(( segid " " and resid 97 and name HN ))
)(
(( segid " " and resid 125 and name HD23))
OR
(( segid " " and resid 125 and name HD22))
OR
(( segid " " and resid 125 and name HD21))
)
5.000 5.000 0.000 peak 7048 weight 0.10000E+01 volume 0.36400E+00 ppm1 9.709 ppm2 0.648
ASSI (
(( segid " " and resid 98 and name HN ))
)(
(( segid " " and resid 98 and name HA ))
)
5.000 5.000 0.000 peak 7085 weight 0.10000E+01 volume 0.52400E+00 ppm1 8.002 ppm2 4.545
ASSI (
(( segid " " and resid 99 and name HN ))
)(
(( segid " " and resid 98 and name HA ))
)
3.300 3.300 0.000 peak 7107 weight 0.10000E+01 volume 0.15400E+01 ppm1 9.124 ppm2 4.551
ASSI (
(( segid " " and resid 99 and name HN ))
)(
(( segid " " and resid 99 and name HB ))
)
3.300 3.300 0.000 peak 7101 weight 0.10000E+01 volume 0.15440E+01 ppm1 9.122 ppm2 1.718
ASSI (
(( segid " " and resid 99 and name HN ))
)(
(( segid " " and resid 121 and name HN ))
)
5.000 5.000 0.000 peak 7111 weight 0.10000E+01 volume 0.77200E+00 ppm1 9.125 ppm2 7.961
ASSI (
(( segid " " and resid 100 and name HN ))
)(
(( segid " " and resid 99 and name HN ))
)
5.000 5.000 0.000 peak 7114 weight 0.10000E+01 volume 0.31800E+00 ppm1 8.436 ppm2 9.121
ASSI (
(( segid " " and resid 100 and name HN ))
)(
(( segid " " and resid 100 and name HA2 ))
)
3.300 3.300 0.000 peak 7121 weight 0.10000E+01 volume 0.20170E+01 ppm1 8.437 ppm2 3.594
ASSI (
(( segid " " and resid 100 and name HN ))
)(
(( segid " " and resid 101 and name HN ))
)
5.000 5.000 0.000 peak 7126 weight 0.10000E+01 volume 0.58800E+00 ppm1 8.438 ppm2 8.149
ASSI (
(( segid " " and resid 102 and name HN ))
)(
(( segid " " and resid 98 and name HD13))
OR
(( segid " " and resid 98 and name HD12))
OR
(( segid " " and resid 98 and name HD11))
)
5.000 5.000 0.000 peak 7130 weight 0.10000E+01 volume 0.38500E+00 ppm1 8.209 ppm2 0.642
ASSI (
(( segid " " and resid 102 and name HN ))
)(
(( segid " " and resid 101 and name HA ))
)
2.700 2.700 0.000 peak 7139 weight 0.10000E+01 volume 0.38180E+01 ppm1 8.208 ppm2 4.465
ASSI (
(( segid " " and resid 102 and name HN ))
)(
(( segid " " and resid 101 and name HB1 ))
)
5.000 5.000 0.000 peak 7136 weight 0.10000E+01 volume 0.93700E+00 ppm1 8.209 ppm2 3.785
ASSI (
(( segid " " and resid 102 and name HN ))
)(
(( segid " " and resid 102 and name HG23))
OR
(( segid " " and resid 102 and name HG22))
OR
(( segid " " and resid 102 and name HG21))
)
3.300 3.300 0.000 peak 7132 weight 0.10000E+01 volume 0.18500E+01 ppm1 8.210 ppm2 1.322
ASSI (
(( segid " " and resid 102 and name HN ))
)(
(( segid " " and resid 103 and name HN ))
)
3.300 3.300 0.000 peak 7142 weight 0.10000E+01 volume 0.24210E+01 ppm1 8.207 ppm2 7.557
ASSI (
(( segid " " and resid 103 and name HN ))
)(
(( segid " " and resid 101 and name HA ))
)
5.000 5.000 0.000 peak 7157 weight 0.10000E+01 volume 0.95100E+00 ppm1 7.558 ppm2 4.453
ASSI (
(( segid " " and resid 103 and name HN ))
)(
(( segid " " and resid 102 and name HG23))
OR
(( segid " " and resid 102 and name HG22))
OR
(( segid " " and resid 102 and name HG21))
)
5.000 5.000 0.000 peak 7146 weight 0.10000E+01 volume 0.43800E+00 ppm1 7.556 ppm2 1.324
ASSI (
(( segid " " and resid 103 and name HN ))
)(
(( segid " " and resid 104 and name HN ))
)
5.000 5.000 0.000 peak 7163 weight 0.10000E+01 volume 0.62900E+00 ppm1 7.558 ppm2 8.037
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 87 and name HA ))
)
5.000 5.000 0.000 peak 7182 weight 0.10000E+01 volume 0.47500E+00 ppm1 8.039 ppm2 5.567
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 88 and name HG12))
)
5.000 5.000 0.000 peak 7167 weight 0.10000E+01 volume 0.40300E+00 ppm1 8.041 ppm2 0.238
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 103 and name HB ))
)
3.300 3.300 0.000 peak 7176 weight 0.10000E+01 volume 0.18330E+01 ppm1 8.040 ppm2 3.983
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 104 and name HB2 ))
)
5.000 5.000 0.000 peak 7175 weight 0.10000E+01 volume 0.53400E+00 ppm1 8.040 ppm2 3.455
ASSI (
(( segid " " and resid 104 and name HN ))
)(
(( segid " " and resid 105 and name HN ))
)
5.000 5.000 0.000 peak 7184 weight 0.10000E+01 volume 0.31000E+00 ppm1 8.039 ppm2 8.996
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 104 and name HA ))
)
3.300 3.300 0.000 peak 7195 weight 0.10000E+01 volume 0.15070E+01 ppm1 9.006 ppm2 4.537
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 104 and name HB1 ))
)
5.000 5.000 0.000 peak 7194 weight 0.10000E+01 volume 0.75500E+00 ppm1 9.005 ppm2 3.879
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 104 and name HB2 ))
)
5.000 5.000 0.000 peak 7191 weight 0.10000E+01 volume 0.40800E+00 ppm1 9.006 ppm2 3.460
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 105 and name HA ))
)
5.000 5.000 0.000 peak 7197 weight 0.10000E+01 volume 0.44000E+00 ppm1 9.006 ppm2 5.605
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 116 and name HN ))
)
5.000 5.000 0.000 peak 7202 weight 0.10000E+01 volume 0.56000E+00 ppm1 9.005 ppm2 9.716
ASSI (
(( segid " " and resid 105 and name HN ))
)(
(( segid " " and resid 117 and name HN ))
)
5.000 5.000 0.000 peak 7200 weight 0.10000E+01 volume 0.42800E+00 ppm1 9.005 ppm2 7.973
ASSI (
(( segid " " and resid 105 and name HE ))
)(
(( segid " " and resid 105 and name HD2 ))
OR
(( segid " " and resid 105 and name HD1 ))
)
5.000 5.000 0.000 peak 8195 weight 0.10000E+01 volume 0.10930E+01 ppm1 7.018 ppm2 3.079
ASSI (
(( segid " " and resid 106 and name HN ))
)(
(( segid " " and resid 105 and name HA ))
)
3.300 3.300 0.000 peak 9325 weight 0.10000E+01 volume 0.26770E+01 ppm1 8.365 ppm2 5.611
ASSI (
(( segid " " and resid 107 and name HN ))
)(
(( segid " " and resid 106 and name HB2 ))
)
5.000 5.000 0.000 peak 7204 weight 0.10000E+01 volume 0.36700E+00 ppm1 9.097 ppm2 1.626
ASSI (
(( segid " " and resid 107 and name HN ))
)(
(( segid " " and resid 108 and name HN ))
)
5.000 5.000 0.000 peak 7218 weight 0.10000E+01 volume 0.37600E+00 ppm1 9.101 ppm2 8.359
ASSI (
(( segid " " and resid 107 and name HN ))
)(
(( segid " " and resid 113 and name HA ))
)
6.000 6.000 0.000 peak 7216 weight 0.10000E+01 volume 0.14800E+00 ppm1 9.100 ppm2 5.160
ASSI (
(( segid " " and resid 107 and name HN ))
)(
(( segid " " and resid 114 and name HN ))
)
5.000 5.000 0.000 peak 7220 weight 0.10000E+01 volume 0.60700E+00 ppm1 9.100 ppm2 8.870
ASSI (
(( segid " " and resid 108 and name HN ))
)(
(( segid " " and resid 84 and name HD2 ))
OR
(( segid " " and resid 84 and name HD1 ))
)
5.000 5.000 0.000 peak 7233 weight 0.10000E+01 volume 0.30000E+00 ppm1 8.355 ppm2 6.699
ASSI (
(( segid " " and resid 108 and name HN ))
)(
(( segid " " and resid 84 and name HE2 ))
OR
(( segid " " and resid 84 and name HE1 ))
)
5.000 5.000 0.000 peak 7234 weight 0.10000E+01 volume 0.11230E+01 ppm1 8.354 ppm2 7.334
ASSI (
(( segid " " and resid 109 and name HN ))
)(
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)
3.300 3.300 0.000 peak 7239 weight 0.10000E+01 volume 0.15770E+01 ppm1 8.045 ppm2 0.780
ASSI (
(( segid " " and resid 109 and name HN ))
)(
(( segid " " and resid 109 and name HA ))
)
5.000 5.000 0.000 peak 7246 weight 0.10000E+01 volume 0.70200E+00 ppm1 8.045 ppm2 4.416
ASSI (
(( segid " " and resid 109 and name HN ))
)(
(( segid " " and resid 112 and name HN ))
)
5.000 5.000 0.000 peak 7250 weight 0.10000E+01 volume 0.43900E+00 ppm1 8.045 ppm2 7.725
ASSI (
(( segid " " and resid 109 and name HE22))
)(
(( segid " " and resid 116 and name HA ))
)
5.000 5.000 0.000 peak 9512 weight 0.10000E+01 volume 0.39800E+00 ppm1 6.124 ppm2 3.965
ASSI (
(( segid " " and resid 110 and name HN ))
)(
(( segid " " and resid 108 and name HG23))
OR
(( segid " " and resid 108 and name HG22))
OR
(( segid " " and resid 108 and name HG21))
)
5.000 5.000 0.000 peak 7253 weight 0.10000E+01 volume 0.50200E+00 ppm1 8.780 ppm2 0.785
ASSI (
(( segid " " and resid 110 and name HN ))
)(
(( segid " " and resid 111 and name HN ))
)
5.000 5.000 0.000 peak 7268 weight 0.10000E+01 volume 0.76300E+00 ppm1 8.781 ppm2 8.097
ASSI (
(( segid " " and resid 110 and name HN ))
)(
(( segid " " and resid 112 and name HN ))
)
6.000 6.000 0.000 peak 7266 weight 0.10000E+01 volume 0.22400E+00 ppm1 8.781 ppm2 7.726
ASSI (
(( segid " " and resid 111 and name HN ))
)(
(( segid " " and resid 111 and name HD2 ))
OR
(( segid " " and resid 111 and name HD1 ))
)
5.000 5.000 0.000 peak 7275 weight 0.10000E+01 volume 0.50600E+00 ppm1 8.100 ppm2 3.108
ASSI (
(( segid " " and resid 111 and name HN ))
)(
(( segid " " and resid 112 and name HN ))
)
3.300 3.300 0.000 peak 7279 weight 0.10000E+01 volume 0.19180E+01 ppm1 8.101 ppm2 7.726
ASSI (
(( segid " " and resid 112 and name HN ))
)(
(( segid " " and resid 112 and name HA1 ))
)
3.300 3.300 0.000 peak 9445 weight 0.10000E+01 volume 0.23070E+01 ppm1 7.732 ppm2 4.018
ASSI (
(( segid " " and resid 112 and name HN ))
)(
(( segid " " and resid 112 and name HA2 ))
)
3.300 3.300 0.000 peak 7291 weight 0.10000E+01 volume 0.22430E+01 ppm1 7.732 ppm2 3.930
ASSI (
(( segid " " and resid 114 and name HN ))
)(
(( segid " " and resid 109 and name HG2 ))
OR
(( segid " " and resid 109 and name HG1 ))
)
5.000 5.000 0.000 peak 7296 weight 0.10000E+01 volume 0.67600E+00 ppm1 8.868 ppm2 2.141
ASSI (
(( segid " " and resid 115 and name HN ))
)(
(( segid " " and resid 114 and name HA2 ))
)
3.300 3.300 0.000 peak 7306 weight 0.10000E+01 volume 0.25150E+01 ppm1 8.015 ppm2 3.697
ASSI (
(( segid " " and resid 115 and name HN ))
)(
(( segid " " and resid 114 and name HN ))
)
5.000 5.000 0.000 peak 6664 weight 0.10000E+01 volume 0.46400E+00 ppm1 8.017 ppm2 8.861
ASSI (
(( segid " " and resid 115 and name HN ))
)(
(( segid " " and resid 115 and name HB2 ))
)
3.300 3.300 0.000 peak 7303 weight 0.10000E+01 volume 0.19120E+01 ppm1 8.016 ppm2 2.787
ASSI (
(( segid " " and resid 115 and name HN ))
)(
(( segid " " and resid 116 and name HN ))
)
6.000 6.000 0.000 peak 6672 weight 0.10000E+01 volume 0.24200E+00 ppm1 8.016 ppm2 9.719
ASSI (
(( segid " " and resid 115 and name HE1 ))
)(
(( segid " " and resid 65 and name HA ))
)
5.000 5.000 0.000 peak 6689 weight 0.10000E+01 volume 0.42200E+00 ppm1 10.496 ppm2 4.110
ASSI (
(( segid " " and resid 115 and name HE1 ))
)(
(( segid " " and resid 65 and name HB1 ))
)
3.300 3.300 0.000 peak 6658 weight 0.10000E+01 volume 0.16640E+01 ppm1 10.496 ppm2 2.373
ASSI (
(( segid " " and resid 115 and name HE1 ))
)(
(( segid " " and resid 66 and name HA ))
)
5.000 5.000 0.000 peak 8589 weight 0.10000E+01 volume 0.78300E+00 ppm1 10.496 ppm2 4.258
ASSI (
(( segid " " and resid 115 and name HE1 ))
)(
(( segid " " and resid 82 and name HD23))
OR
(( segid " " and resid 82 and name HD22))
OR
(( segid " " and resid 82 and name HD21))
)
5.000 5.000 0.000 peak 6687 weight 0.10000E+01 volume 0.31500E+00 ppm1 10.495 ppm2 0.874
ASSI (
(( segid " " and resid 115 and name HE1 ))
)(
(( segid " " and resid 115 and name HD1 ))
)
3.300 3.300 0.000 peak 6659 weight 0.10000E+01 volume 0.18760E+01 ppm1 10.497 ppm2 7.268
ASSI (
(( segid " " and resid 115 and name HE1 ))
)(
(( segid " " and resid 115 and name HZ2 ))
)
3.300 3.300 0.000 peak 6720 weight 0.10000E+01 volume 0.18200E+01 ppm1 10.497 ppm2 7.157
ASSI (
(( segid " " and resid 116 and name HN ))
)(
(( segid " " and resid 107 and name HN ))
)
5.000 5.000 0.000 peak 7223 weight 0.10000E+01 volume 0.11440E+01 ppm1 9.716 ppm2 9.099
ASSI (
(( segid " " and resid 117 and name HN ))
)(
(( segid " " and resid 115 and name HE3 ))
)
6.000 6.000 0.000 peak 7321 weight 0.10000E+01 volume 0.25000E+00 ppm1 7.968 ppm2 7.304
ASSI (
(( segid " " and resid 117 and name HN ))
)(
(( segid " " and resid 117 and name HA ))
)
5.000 5.000 0.000 peak 7317 weight 0.10000E+01 volume 0.61600E+00 ppm1 7.967 ppm2 5.336
ASSI (
(( segid " " and resid 119 and name HN ))
)(
(( segid " " and resid 118 and name HA ))
)
3.300 3.300 0.000 peak 5313 weight 0.10000E+01 volume 0.19270E+01 ppm1 7.862 ppm2 4.555
ASSI (
(( segid " " and resid 119 and name HN ))
)(
(( segid " " and resid 118 and name HG2 ))
)
5.000 5.000 0.000 peak 7328 weight 0.10000E+01 volume 0.56600E+00 ppm1 7.863 ppm2 1.815
ASSI (
(( segid " " and resid 121 and name HN ))
)(
(( segid " " and resid 121 and name HB2 ))
)
3.300 3.300 0.000 peak 7341 weight 0.10000E+01 volume 0.17540E+01 ppm1 7.953 ppm2 1.778
ASSI (
(( segid " " and resid 121 and name HN ))
)(
(( segid " " and resid 122 and name HN ))
)
5.000 5.000 0.000 peak 7347 weight 0.10000E+01 volume 0.38400E+00 ppm1 7.953 ppm2 8.772
ASSI (
(( segid " " and resid 121 and name HE21))
)(
(( segid " " and resid 121 and name HG2 ))
OR
(( segid " " and resid 121 and name HG1 ))
)
5.000 5.000 0.000 peak 9633 weight 0.10000E+01 volume 0.60100E+00 ppm1 7.338 ppm2 2.183
ASSI (
(( segid " " and resid 121 and name HE22))
)(
(( segid " " and resid 121 and name HG2 ))
OR
(( segid " " and resid 121 and name HG1 ))
)
5.000 5.000 0.000 peak 9635 weight 0.10000E+01 volume 0.34800E+00 ppm1 6.617 ppm2 2.185
ASSI (
(( segid " " and resid 122 and name HN ))
)(
(( segid " " and resid 122 and name HA ))
)
5.000 5.000 0.000 peak 7360 weight 0.10000E+01 volume 0.70500E+00 ppm1 8.770 ppm2 5.265
ASSI (
(( segid " " and resid 122 and name HN ))
)(
(( segid " " and resid 122 and name HB1 ))
)
5.000 5.000 0.000 peak 7358 weight 0.10000E+01 volume 0.11140E+01 ppm1 8.770 ppm2 2.751
ASSI (
(( segid " " and resid 122 and name HN ))
)(
(( segid " " and resid 123 and name HN ))
)
5.000 5.000 0.000 peak 7362 weight 0.10000E+01 volume 0.38800E+00 ppm1 8.770 ppm2 9.085
ASSI (
(( segid " " and resid 124 and name HN ))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)
5.000 5.000 0.000 peak 9198 weight 0.10000E+01 volume 0.36900E+00 ppm1 8.657 ppm2 6.703
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